Metabolite Name Annotations CAS Number ChEBI ID CompositeSpectrum Compound Name CompoundAlgo HMP ID Ionization mode KEGG ID LMP ID Mass METLIN ID NCBI gi PubChem ID Retention Time Swiss-Prot ID "(-)-12-hydroxy-9,10-dihydrojasmonic acid" "(-)-12-hydroxy-9,10-dihydrojasmonic acid [ C12 H20 O4, db=85.07, tgt=, overall=85.07, Lipid ID=LMFA02020015, METLIN ID=45945 ]" "(227.1283, 2217.6467)(228.13232, 310.47)" "(-)-12-hydroxy-9,10-dihydrojasmonic acid" FindByFormula - LMFA02020015 228.1359 10.215333 "(-)-13(16),14-Spongiadiene" "(-)-13(16),14-Spongiadiene [ C20 H30 O, db=69.56, tgt=, overall=69.56, Lipid ID=LMPR0104110003, METLIN ID=53626 ]" "(287.237, 2458.7)(288.2406, 820.338)" "(-)-13(16),14-Spongiadiene" FindByFormula + LMPR0104110003 286.23 20.498001 "(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione" "(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione [ C22 H28 O5, db=65.87, tgt=, overall=65.87, Lipid ID=LMPR0104320001, METLIN ID=53684 ]" "(373.2006, 3271.8772)(374.20392, 1026.4056)(375.19855, 534.895)" "(-)-20-Acetoy-9-hydroxy-1,6,14-rhamnofolane-triene-3,13-dione" FindByFormula + LMPR0104320001 372.1929 10.111285 "(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone" "(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone [ C24 H16 O6, db=33.41, tgt=, overall=33.41, Lipid ID=LMPK12111648, METLIN ID=50066 ]" "(423.0839, 2812.5066)(424.08102, 895.4633)(425.0791, 774.38336)" "(-)-8-(2-Carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone" FindByFormula + LMPK12111648 422.0762 1.0873333 (-)-Epigallocatechin 3-(4-methyl-gallate) "(-)-Epigallocatechin 3-(4-methyl-gallate) [ C23 H20 O11, db=75.15, tgt=, overall=75.15, CAS ID=, HMP ID=HMDB40293, METLIN ID=94817 ]" "(473.10745, 7522.02)(474.1103, 1655.345)(475.1131, 1408.72)(476.1022, 160.29)" (-)-Epigallocatechin 3-(4-methyl-gallate) FindByFormula HMDB40293 + 472.1012 2.8315 (-)-Epigallocatechin 3-(4-methyl-gallate) + 3.1086667 "(-)-Epigallocatechin 3-(4-methyl-gallate) [ C23 H20 O11, db=66.31, tgt=, overall=66.31, CAS ID=, HMP ID=HMDB40293, METLIN ID=94817 ]" "(473.10733, 2913.0466)(474.11145, 389.92667)" (-)-Epigallocatechin 3-(4-methyl-gallate) + 3.1086667 FindByFormula HMDB40293 + 472.0994 3.1086667 (-)-Euphomine A "(-)-Euphomine A [ C30 H42 O7, db=36.54, tgt=, overall=36.54, Lipid ID=LMPR0104300002, METLIN ID=53678 ]" "(1051.5725, 3333.0166)(1052.5736, 2496.19)(526.29486, 2142.4036)" (-)-Euphomine A FindByFormula + LMPR0104300002 525.2843 7.2999997 (-)-Sanggenone K "(-)-Sanggenone K [ C30 H32 O6, db=98.42, tgt=, overall=98.42, Lipid ID=LMPK12110930, METLIN ID=49358 ]" "(489.23148, 4135.5747)(490.23245, 1501.3923)(491.2278, 461.98337)(527.1833, 46779.04)(528.1861, 16069.076)(529.1865, 6355.1855)(530.18713, 1739.1863)(531.2025, 57.55)(511.20938, 84033.66)(512.2116, 29076.281)(513.2161, 5123.8027)(514.21893, 731.5028)(515.2239, 81.58)" (-)-Sanggenone K FindByFormula + LMPK12110930 488.2197 19.018353 (-)-Sanggenone K + 11.850876 "(-)-Sanggenone K [ C30 H32 O6, db=71.45, tgt=, overall=71.45, Lipid ID=LMPK12110930, METLIN ID=49358 ]" "(489.22824, 1996.15)(490.23303, 693.0562)" (-)-Sanggenone K + 11.850876 FindByFormula + LMPK12110930 488.2203 11.850876 (-)-Sanggenone K + 13.037001 "(-)-Sanggenone K [ C30 H32 O6, db=60.69, tgt=, overall=60.69, Lipid ID=LMPK12110930, METLIN ID=49358 ]" "(511.21005, 1021.265)(512.2097, 329.96503)(513.2194, 347.37)" (-)-Sanggenone K + 13.037001 FindByFormula + LMPK12110930 510.203 13.037001 (-)-Sanggenone K + 19.019264 "(-)-Sanggenone K [ C30 H32 O6, db=98.02, tgt=, overall=98.02, Lipid ID=LMPK12110930, METLIN ID=49358 ]" "(511.2097, 83956.04)(512.2118, 29042.088)(513.21625, 5133.3594)(514.2177, 616.22876)" (-)-Sanggenone K + 19.019264 FindByFormula + LMPK12110930 510.2017 19.019264 "(+)-2,5-epi Goniothalesdiol" "(+)-2,5-epi Goniothalesdiol [ C14 H18 O5, mfg=98.02, db=98.02, tgt=, overall=98.02, CAS ID=887927-59-5, METLIN ID=64661 ]" 887927-59-5 "(267.1224, 6756.911)(268.12552, 1136.4944)(269.12714, 262.0889)(289.10382, 588.5472)" "(+)-2,5-epi Goniothalesdiol" FindByFormula + 266.1154 11.816599 "(+)-2,5-epi Goniothalesdiol + 12.55575" "(+)-2,5-epi Goniothalesdiol [ C14 H18 O5, db=74.18, tgt=, overall=74.18, CAS ID=887927-59-5, METLIN ID=64661 ]" 887927-59-5 "(267.1223, 1924.885)(268.12823, 393.0875)" "(+)-2,5-epi Goniothalesdiol + 12.55575" FindByFormula + 266.1145 12.55575 (+)-3-hydroxy behenic "(+)-3-hydroxy behenic [ C22 H44 O3, db=97.76, tgt=, overall=97.76, Lipid ID=LMFA01050078, METLIN ID=35455 ]" "(355.32104, 9303.79)(356.32437, 2367.395)(357.32608, 350.51)" (+)-3-hydroxy behenic FindByFormula - LMFA01050078 356.3297 26.005 (+)-Arnicenone "(+)-Arnicenone [ C15 H22 O, db=85.12, tgt=, overall=85.12, Lipid ID=LMPR0103760001, METLIN ID=53551 ]" "(459.31586, 415.09)(219.17418, 5878.4985)(220.17657, 973.491)" (+)-Arnicenone FindByFormula + LMPR0103760001 218.1674 25.446276 (+)-Arnicenone + 10.013072 "(+)-Arnicenone [ C15 H22 O, db=85.52, tgt=, overall=85.52, Lipid ID=LMPR0103760001, METLIN ID=53551 ]" "(219.17447, 7810.8774)(220.17738, 1449.1051)" (+)-Arnicenone + 10.013072 FindByFormula + LMPR0103760001 218.1675 10.013072 (+)-Myristinin A "(+)-Myristinin A [ C33 H40 O7, db=6.83, tgt=, overall=6.83, Lipid ID=LMPK12020229, METLIN ID=47445 ]" "(549.286, 2013.12)(549.7854, 1695.78)(550.2863, 931.61)(1097.5642, 1150.29)(1098.5581, 720.13)" (+)-Myristinin A FindByFormula + LMPK12020229 1096.5563 7.2574997 "(±)-CP 47,497-C8-homolog" "(±)-CP 47,497-C8-homolog [ C22 H36 O2, db=85.02, tgt=, overall=85.02, CAS ID=70434-92-3, METLIN ID=45496 ]" 70434-92-3 "(355.26086, 17973.092)(356.26706, 5312.0776)(357.2737, 412.17)" "(±)-CP 47,497-C8-homolog" FindByFormula + 354.2532 11.29225 "(±)-CP 47,497-C8-homolog + 10.2145" "(±)-CP 47,497-C8-homolog [ C22 H36 O2, db=71.19, tgt=, overall=71.19, CAS ID=70434-92-3, METLIN ID=45496 ]" 70434-92-3 "(355.26175, 3845.055)(356.26535, 1374.03)(357.265, 646.41)" "(±)-CP 47,497-C8-homolog + 10.2145" FindByFormula + 354.256 10.2145 "(±)-CP 47,497-C8-homolog + 11.393001" "(±)-CP 47,497-C8-homolog [ C22 H36 O2, db=88.98, tgt=, overall=88.98, CAS ID=70434-92-3, METLIN ID=45496 ]" 70434-92-3 "(355.2604, 27115.143)(356.26743, 7526.7993)(357.26892, 975.43506)" "(±)-CP 47,497-C8-homolog + 11.393001" FindByFormula + 354.2525 11.393001 (±)-Warfarin "(±)-Warfarin [ C19 H16 O4, db=99.19, tgt=, overall=99.19, CAS ID=81-81-2, KEGG ID=C01541, HMP ID=HMDB01935, METLIN ID=3031 ]" 81-81-2 "(309.11316, 5228.48)(310.115, 1210.1234)(347.06772, 2127.74)(348.06558, 554.85333)(331.0939, 17547.213)(332.09784, 3869.0664)(333.1003, 478.91)" (±)-Warfarin FindByFormula HMDB01935 + C01541 308.1045 12.23 (±)-Warfarin - 12.223 "(±)-Warfarin [ C19 H16 O4, db=98.18, tgt=, overall=98.18, CAS ID=81-81-2, KEGG ID=C01541, HMP ID=HMDB01935, METLIN ID=3031 ]" 81-81-2 "(307.09692, 31706.305)(308.1001, 6630.4126)(309.1054, 749.2825)" (±)-Warfarin - 12.223 FindByFormula HMDB01935 - C01541 308.1042 12.223 (±)-Warfarin + 12.224334 "(±)-Warfarin [ C19 H16 O4, db=84.44, tgt=, overall=84.44, CAS ID=81-81-2, KEGG ID=C01541, HMP ID=HMDB01935, METLIN ID=3031 ]" 81-81-2 "(331.09402, 18575.436)(332.0981, 4004.0203)(353.0752, 1701.8633)" (±)-Warfarin + 12.224334 FindByFormula HMDB01935 + C01541 330.0872 12.224334 "(11Z)-8,18-propano-retinal" "(11Z)-8,18-propano-retinal [ C23 H32 O, db=88.93, tgt=, overall=88.93, Lipid ID=LMPR01090045, METLIN ID=41535 ]" "(671.4799, 6085.365)(672.4833, 2740.75)(673.4824, 1023.95337)(693.46075, 3675.1501)(694.4614, 1599.6515)(695.4663, 445.3617)(336.24487, 2399.7986)" "(11Z)-8,18-propano-retinal" FindByFormula + LMPR01090045 335.236 7.1686673 "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one [ C21 H24 O4, mfg=76.43, db=78.25, tgt=, overall=39.12, CAS ID=94355-02-9, METLIN ID=3092 ]" 94355-02-9 "(363.1568, 2139.3037)(364.161, 600.7575)" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one" FindByFormula + 362.1491 13.910375 "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 12.895" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one [ C21 H24 O4, db=64.02, tgt=, overall=64.02, CAS ID=94355-02-9, METLIN ID=3092 ]" 94355-02-9 "(363.1573, 1690.04)(364.15826, 582.58)" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 12.895" FindByFormula + 362.1503 12.895 "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 13.42025" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one [ C21 H24 O4, db=65.75, tgt=, overall=65.75, CAS ID=94355-02-9, METLIN ID=3092 ]" 94355-02-9 "(363.15756, 1170.6525)(364.16226, 381.08002)" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 13.42025" FindByFormula + 362.1508 13.42025 "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 13.45025" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one [ C21 H24 O4, db=73.24, tgt=, overall=73.24, CAS ID=94355-02-9, METLIN ID=3092 ]" 94355-02-9 "(363.1565, 965.87744)(364.16003, 305.7125)" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 13.45025" FindByFormula + 362.1481 13.45025 "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 13.9045" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one [ C21 H24 O4, db=71.69, tgt=, overall=71.69, CAS ID=94355-02-9, METLIN ID=3092 ]" 94355-02-9 "(363.15698, 2319.84)(364.1604, 753.66504)" "(16b,17a)-13-ethyl-2,16,17-trihydroxy-18,19-Dinorpregna-4,9,11-trien-20-yn-3-one + 13.9045" FindByFormula + 362.1472 13.9045 "(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene" "(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene [ C15 H17 N O4 S, db=85.63, tgt=, overall=85.63, KEGG ID=C14796, METLIN ID=70328 ]" "(306.07953, 10090.34)(307.0834, 1076.98)(308.07928, 455.975)" "(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene" FindByFormula - C14796 307.088 1.0855 "(1S,Z)-3-((2R,E)-6-Hydroxy-2,5-dimethylnon-4-en-1-ylidene)-1-methyloctahydro-2H-quinolizin-1-ol" "(1S,Z)-3-((2R,E)-6-Hydroxy-2,5-dimethylnon-4-en-1-ylidene)-1-methyloctahydro-2H-quinolizin-1-ol [ C21 H37 N O2, db=95.00, tgt=, overall=95.00, METLIN ID=263752 ]" "(358.27194, 5869.1475)(359.27332, 1361.49)(360.27155, 120.784996)(380.25208, 3396.7666)(381.2499, 532.1333)(382.2439, 233.58)" "(1S,Z)-3-((2R,E)-6-Hydroxy-2,5-dimethylnon-4-en-1-ylidene)-1-methyloctahydro-2H-quinolizin-1-ol" FindByFormula + 357.267 8.304501 "(22E)-3beta-Hydroxy-5alpha-chola-16,22-dien-24-oic Acid" "(22E)-3beta-Hydroxy-5alpha-chola-16,22-dien-24-oic Acid [ C24 H36 O3, db=91.17, tgt=, overall=91.17, METLIN ID=42919 ]" "(373.27277, 3303.6555)(374.27567, 1063.309)(375.2818, 144.12)" "(22E)-3beta-Hydroxy-5alpha-chola-16,22-dien-24-oic Acid" FindByFormula + 372.2649 10.013333 "(22E)-3beta-Hydroxy-5alpha-chola-16,22-dien-24-oic Acid + 11.3845005" "(22E)-3beta-Hydroxy-5alpha-chola-16,22-dien-24-oic Acid [ C24 H36 O3, db=78.22, tgt=, overall=78.22, METLIN ID=42919 ]" "(373.27264, 16699.83)(374.27554, 4709.194)" "(22E)-3beta-Hydroxy-5alpha-chola-16,22-dien-24-oic Acid + 11.3845005" FindByFormula + 372.2677 11.3845005 "(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside" "(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside [ C40 H66 O14, db=72.88, tgt=, overall=72.88, Lipid ID=LMST01080059, METLIN ID=84215 ]" "(793.4321, 2232.0227)(794.43585, 1064.1008)(795.4372, 622.8483)" "(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside" FindByFormula + LMST01080059 792.4221 12.7809 "(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside + 12.75625" "(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside [ C40 H66 O14, db=77.74, tgt=, overall=77.74, Lipid ID=LMST01080059, METLIN ID=84215 ]" "(793.4312, 1508.615)(794.4353, 781.91254)(795.4422, 328.03665)" "(23S,24R,25S)-23,24-dihydroxy-spirost-5-en-3beta-yl O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside + 12.75625" FindByFormula + LMST01080059 792.4265 12.75625 "(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid" "(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid [ C32 H46 O6, db=74.41, tgt=, overall=74.41, CAS ID=117383-37-6, HMP ID=HMDB35386, METLIN ID=90682 ]" 117383-37-6 "(525.3234, 3358.975)(526.3263, 1168.7)" "(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid" FindByFormula HMDB35386 - 526.3305 24.1165 "(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid - 24.2995" "(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid [ C32 H46 O6, db=73.39, tgt=, overall=73.39, CAS ID=117383-37-6, HMP ID=HMDB35386, METLIN ID=90682 ]" 117383-37-6 "(525.3242, 4402.235)(526.3276, 1322.78)(527.3214, 658.4)" "(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid - 24.2995" FindByFormula HMDB35386 - 526.3321 24.2995 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=96.26, tgt=, overall=96.26, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.6034, 6744.73)(860.6041, 3728.53)(419.31543, 10146.522)(420.31876, 3022.756)(421.3188, 658.09576)(441.29733, 13495.729)(442.30234, 3912.5024)(443.30692, 716.7665)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3" FindByFormula + LMST03020059 418.3097 20.691933 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.513401" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=93.63, tgt=, overall=93.63, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(441.29633, 21323.473)(442.3007, 5340.562)(443.3048, 1157.5375)(444.3127, 296.48)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.513401" FindByFormula + LMST03020059 440.2899 20.513401 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.564667" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=92.91, tgt=, overall=92.91, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.5947, 2797.625)(419.31503, 9521.43)(420.31836, 2508.25)(421.31937, 432.16666)(441.29697, 13708.503)(442.3025, 3512.7131)(443.3068, 768.14)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.564667" FindByFormula + LMST03020059 418.3065 20.564667 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.699678" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=95.40, tgt=, overall=95.40, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.5987, 985.81573)(419.3152, 10065.815)(420.31827, 2864.5586)(421.31863, 651.28186)(457.27148, 430.45572)(458.2681, 174.97334)(459.27713, 573.10004)(441.2971, 12613.523)(442.3024, 3715.506)(443.3065, 732.5921)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.699678" FindByFormula + LMST03020059 418.307 20.699678 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.83425" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=97.94, tgt=, overall=97.94, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(441.29727, 15839.44)(442.30164, 4398.0454)(443.30505, 889.72217)(444.2983, 274.8)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 20.83425" FindByFormula + LMST03020059 440.2894 20.83425 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 21.385334" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=85.92, tgt=, overall=85.92, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.5952, 914.88)(419.3148, 5674.6274)(420.3187, 1705.5686)(421.31992, 305.65143)(441.2971, 8856.79)(442.30322, 3208.1719)(443.30615, 600.6775)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 21.385334" FindByFormula + LMST03020059 418.3046 21.385334 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 21.445" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=93.46, tgt=, overall=93.46, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(441.29688, 2939.2668)(442.3032, 876.5267)(443.30457, 183.88501)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 21.445" FindByFormula + LMST03020059 440.2896 21.445 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.026522" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=97.35, tgt=, overall=97.35, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.59503, 694.5267)(860.59766, 549.77)(419.3152, 6076.795)(420.3186, 1977.423)(421.32028, 444.8041)(441.29733, 16515.273)(442.30222, 4597.74)(443.3057, 829.77264)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.026522" FindByFormula + LMST03020059 418.3093 22.026522 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.285294" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=95.90, tgt=, overall=95.90, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(441.29703, 20921.252)(442.30197, 5892.923)(443.30658, 1208.8589)(444.31073, 338.118)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.285294" FindByFormula + LMST03020059 440.2899 22.285294 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.299202" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=95.46, tgt=, overall=95.46, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(419.31485, 6534.1895)(420.31827, 2103.2896)(421.31876, 437.3195)(441.29706, 16083.506)(442.3022, 4579.5083)(443.3069, 938.3778)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.299202" FindByFormula + LMST03020059 418.307 22.299202 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.43375" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=92.96, tgt=, overall=92.96, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(419.31482, 6370.983)(420.3178, 1826.8049)(421.31836, 296.88)(441.29724, 14198.3)(442.30164, 4149.24)(443.3085, 1052.9034)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.43375" FindByFormula + LMST03020059 418.308 22.43375 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.9515" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=91.74, tgt=, overall=91.74, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(441.2976, 2028.12)(442.3028, 648.36)(443.30545, 176.87)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 22.9515" FindByFormula + LMST03020059 440.2913 22.9515 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 23.610334" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=93.34, tgt=, overall=93.34, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(419.31552, 3008.51)(420.31836, 1057.8066)(421.32083, 214.88335)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 23.610334" FindByFormula + LMST03020059 418.3081 23.610334 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 24.023415" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=94.04, tgt=, overall=94.04, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(441.29736, 25621.486)(442.30237, 7531.6836)(443.30878, 1443.424)(444.31085, 391.63602)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 24.023415" FindByFormula + LMST03020059 440.2901 24.023415 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 24.024502" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=93.16, tgt=, overall=93.16, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(875.5844, 554.79834)(419.31552, 8522.07)(420.31894, 2519.6316)(421.32126, 586.55756)(441.2975, 22270.775)(442.30258, 6838.902)(443.30884, 1260.0046)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 24.024502" FindByFormula + LMST03020059 418.3084 24.024502 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 24.536499" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=98.21, tgt=, overall=98.21, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(419.316, 9434.016)(420.31934, 2625.74)(421.3239, 254.82)(441.2977, 6110.7)(442.3049, 1781.69)(443.3145, 418.03)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 24.536499" FindByFormula + LMST03020059 418.3089 24.536499 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 25.297333" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=96.32, tgt=, overall=96.32, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(441.2977, 29161.373)(442.3021, 7913.185)(443.30777, 1512.748)(444.3088, 238.91998)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 25.297333" FindByFormula + LMST03020059 440.2889 25.297333 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 25.336252" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=98.12, tgt=, overall=98.12, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(875.5867, 114.22)(419.31592, 37213.305)(420.319, 11077.043)(421.3214, 2657.1726)(441.29785, 17062.42)(442.30194, 4101.7124)(443.30603, 894.00336)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 25.336252" FindByFormula + LMST03020059 418.3103 25.336252 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 26.979715" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=99.39, tgt=, overall=99.39, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.6026, 3865.2756)(860.6072, 2253.105)(861.60706, 861.7154)(862.6133, 307.77002)(419.31534, 10890.495)(420.31866, 3257.0435)(421.3207, 579.33997)(422.3237, 91.795)(441.2972, 10453.311)(442.3012, 2879.6802)(443.3045, 690.4988)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 26.979715" FindByFormula + LMST03020059 418.3074 26.979715 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 26.990002" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=99.27, tgt=, overall=99.27, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.60504, 11262.675)(860.6095, 6594.0947)(861.6162, 2423.5051)(862.60913, 623.185)(419.31552, 14109.948)(420.3189, 4207.028)(421.32007, 679.85944)(422.3214, 199.1)(441.29736, 10489.408)(442.3016, 3331.593)(443.30408, 578.30444)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 26.990002" FindByFormula + LMST03020059 418.3084 26.990002 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 27.320002" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=95.23, tgt=, overall=95.23, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.60425, 11403.566)(860.6089, 7136.367)(861.6131, 2185.4724)(862.61755, 592.3643)(419.3154, 5231.021)(420.31882, 1602.3054)(421.32178, 358.4775)(422.3136, 54.78)(441.2974, 10989.158)(442.30133, 3299.8381)(443.30328, 641.9936)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 27.320002" FindByFormula + LMST03020059 418.308 27.320002 "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 27.416166" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 [ C26 H42 O4, db=98.38, tgt=, overall=98.38, Lipid ID=LMST03020059, METLIN ID=41999 ]" "(859.60516, 5769.202)(860.61316, 3783.07)(861.61035, 1880.39)(862.62244, 657.42)(419.3151, 2095.8726)(420.3182, 503.8225)(441.29718, 7576.4336)(442.30118, 2307.776)(443.30435, 490.40997)" "(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitamin D3 + 27.416166" FindByFormula + LMST03020059 418.3066 27.416166 "(24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3" "(24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3 [ C26 H40 O4, mfg=47.58, db=52.62, tgt=, overall=26.31, Lipid ID=LMST03020038, METLIN ID=41979 ]" "(417.29797, 701.6575)(418.30414, 373.75998)(439.27798, 347.78)" "(24S,25R)-25,26-epoxy-1alpha,24-dihydroxy-27-norvitamin D3" FindByFormula + LMST03020038 416.2893 25.2255 "(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA" "(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA [ C48 H80 N7 O20 P3 S, db=57.92, tgt=, overall=57.92, CAS ID=, KEGG ID=C15613, METLIN ID=63318 ]" "(1222.4264, 7065.047)(1223.4335, 3930.673)(1224.4156, 2835.9968)" "(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA" FindByFormula + C15613 1221.4186 9.941 "(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine" "(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine [ C29 H51 N O6 S, db=2.59, tgt=, overall=2.59, Lipid ID=LMST05040008, METLIN ID=57994 ]" "(564.3322, 30800.314)(564.8322, 18975.025)(565.3284, 8279.795)(565.83374, 3432.97)(1127.6436, 18716.436)(1128.6383, 11118.154)(1129.6382, 3390.1875)(575.32227, 4753.972)(575.82434, 2932.628)(576.323, 5132.51)(576.8258, 1932.42)(1149.63, 12079.594)(1150.629, 7464.767)(1151.6344, 2136.61)" "(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine" FindByFormula + LMST05040008 1126.671 7.6495 "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol [ C27 H48 O7, db=95.06, tgt=, overall=95.06, Lipid ID=LMST01010327, METLIN ID=83928 ]" "(485.34595, 3158.1672)(486.35095, 848.5516)(487.35168, 258.13312)(523.3026, 62519.64)(524.3048, 19212.787)(525.3024, 8260.786)(526.3016, 1904.7098)" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol" FindByFormula + LMST01010327 484.3398 17.426586 "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol + 17.394554" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol [ C27 H48 O7, db=97.25, tgt=, overall=97.25, Lipid ID=LMST01010327, METLIN ID=83928 ]" "(507.32825, 1435460.2)(508.33252, 398632.94)(509.33496, 77691.93)(510.3359, 12435.13)(511.3339, 1955.82)" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol + 17.394554" FindByFormula + LMST01010327 506.3215 17.394554 "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol + 17.441763" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol [ C27 H48 O7, db=97.59, tgt=, overall=97.59, Lipid ID=LMST01010327, METLIN ID=83928 ]" "(1036.6252, 170.2375)(507.3284, 1280040.9)(508.33267, 352901.25)(509.3351, 69007.01)(510.33664, 10041.301)(511.33694, 1156.2281)" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol + 17.441763" FindByFormula + LMST01010327 506.3216 17.441763 "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol + 17.502586" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol [ C27 H48 O7, db=96.98, tgt=, overall=96.98, Lipid ID=LMST01010327, METLIN ID=83928 ]" "(1036.6097, 89.67)(507.3282, 1156456.8)(508.33228, 319456.47)(509.33478, 62769.484)(510.33273, 9966.359)(511.3365, 1766.96)" "(25S)-5alpha-cholestan-3beta,6alpha,7beta,8beta,15alpha,16beta,26-heptol + 17.502586" FindByFormula + LMST01010327 506.3215 17.502586 (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone "(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone [ C19 H18 O3, db=75.97, tgt=, overall=75.97, CAS ID=52490-15-0, KEGG ID=C15049, METLIN ID=70543 ]" 52490-15-0 "(293.11716, 1219.955)(294.11902, 230.60834)" (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone FindByFormula - C15049 294.1241 7.6673336 (2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate "(2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate [ C15 H21 N O11 S2, db=81.30, tgt=, overall=81.30, CAS ID=, HMP ID=HMDB37132, METLIN ID=92101 ]" "(456.0621, 6305.4854)(457.0651, 1425.4)(458.06525, 339.805)" (2R)-2-Hydroxy-2-(4-hydroxyphenyl)ethyl glucosinolate FindByFormula HMDB37132 + 455.0575 8.5529995 (2S)-2-hydroxyphytanic acid "(2S)-2-hydroxyphytanic acid [ C20 H40 O3, db=79.40, tgt=, overall=79.40, Lipid ID=LMPR0104010015, KEGG ID=C02982, METLIN ID=53583 ]" "(327.28906, 5762.429)(328.29257, 1278.0247)" (2S)-2-hydroxyphytanic acid FindByFormula - C02982 LMPR0104010015 328.2964 23.988182 "(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside)" "(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside) [ C30 H28 O13, db=92.85, tgt=, overall=92.85, Lipid ID=LMPK12140375, METLIN ID=52859 ]" "(595.1471, 3674.8523)(596.14886, 1037.3981)(597.1535, 209.56502)" "(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-p-coumaroylglucoside)" FindByFormula - LMPK12140375 596.1516 1.5436 (2S)-OMPT "(2S)-OMPT [ C22 H43 O6 P S, db=63.62, tgt=, overall=63.62, METLIN ID=44913 ]" "(465.24652, 1121.885)(466.24945, 301.035)" (2S)-OMPT FindByFormula - 466.2551 10.511 "(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid" "(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid [ C48 H78 O17, db=82.78, tgt=, overall=82.78, Lipid ID=, KEGG ID=, HMP ID=, AGILENTID=29065 ]" "(949.5161, 6999.55)(950.521, 3668.16)(951.51355, 1428.895)" "(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid" FindByFormula + 948.5124 8.951 "(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid" "(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid [ C48 H76 O18, db=29.46, tgt=, overall=29.46, CAS ID=110064-54-5, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29054 ]" 110064-54-5 "(941.5119, 3231.8901)(942.50195, 2364.88)(943.501, 1413.8201)" "(2S,3S,4S,5R,6R)-6-[[(3S,6aR,6bS,8aS,14bR)-8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid" FindByFormula + 940.5071 7.851 "(2S,6R,7S,8S)-2-Allyl-7-vinyl-1-azaspiro[5.5]undecan-8-ol" "(2S,6R,7S,8S)-2-Allyl-7-vinyl-1-azaspiro[5.5]undecan-8-ol [ C15 H25 N O, db=2.39, tgt=, overall=2.39, METLIN ID=263666 ]" "(258.18326, 1495.5437)(258.6843, 403.39548)(259.1733, 136.51)(515.354, 1085.5441)(516.35376, 564.8063)(537.3348, 396.33835)(538.3331, 141.74)" "(2S,6R,7S,8S)-2-Allyl-7-vinyl-1-azaspiro[5.5]undecan-8-ol" FindByFormula + 514.3504 6.0817275 "(3a,5b,7a,12a), 3,12-Dihydroxy-7-(sulfooxy)-cholan-24-oic acid" "(3a,5b,7a,12a), 3,12-Dihydroxy-7-(sulfooxy)-cholan-24-oic acid [ C24 H40 O8 S, db=94.09, tgt=, overall=94.09, CAS ID=60320-05-0, HMP ID=HMDB02421, METLIN ID=6673 ]" 60320-05-0 "(487.23593, 3002.3535)(488.24002, 884.6867)(489.23572, 308.22665)" "(3a,5b,7a,12a), 3,12-Dihydroxy-7-(sulfooxy)-cholan-24-oic acid" FindByFormula HMDB02421 - 488.245 10.448667 "(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1-4)-[glucosyl-(1-6)]-glucoside]" "(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1-4)-[glucosyl-(1-6)]-glucoside] [ C48 H80 O20, db=68.66, tgt=, overall=68.66, CAS ID=251102-63-3, HMP ID=HMDB35344, METLIN ID=90644 ]" 251102-63-3 "(999.51373, 2101.8958)(1000.5171, 1126.3757)(1001.52606, 843.26337)" "(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1-4)-[glucosyl-(1-6)]-glucoside]" FindByFormula HMDB35344 + 998.5059 26.623142 "(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1-4)-[glucosyl-(1-6)]-glucoside] + 26.519249" "(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1-4)-[glucosyl-(1-6)]-glucoside] [ C48 H80 O20, db=77.06, tgt=, overall=77.06, CAS ID=251102-63-3, HMP ID=HMDB35344, METLIN ID=90644 ]" 251102-63-3 "(999.5153, 1784.4924)(1000.51855, 1069.84)(1001.5293, 471.92)" "(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[rhamnosyl-(1-4)-[glucosyl-(1-6)]-glucoside] + 26.519249" FindByFormula HMDB35344 + 998.5079 26.519249 "(3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside" "(3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside [ C34 H50 O11, db=80.69, tgt=, overall=80.69, CAS ID=227179-09-1, HMP ID=HMDB33573, METLIN ID=89382 ]" 227179-09-1 "(635.34125, 3677.57)(636.34235, 1412.4767)(637.3484, 653.29504)" "(3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside" FindByFormula HMDB33573 + 634.3265 10.016334 "(3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside + 10.066" "(3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside [ C34 H50 O11, db=62.23, tgt=, overall=62.23, CAS ID=227179-09-1, HMP ID=HMDB33573, METLIN ID=89382 ]" 227179-09-1 "(657.3275, 1987.375)(658.32385, 893.83)(659.3329, 662.48)(679.3024, 342.31)" "(3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside + 10.066" FindByFormula HMDB33573 + 656.3134 10.066 "(3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1-2)-glucoside] 26-glucoside" "(3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1-2)-glucoside] 26-glucoside [ C46 H78 O19, db=30.07, tgt=, overall=30.07, CAS ID=244779-38-2, HMP ID=HMDB34375, METLIN ID=89886 ]" 244779-38-2 "(897.5576, 465.22998)(898.5593, 447.74)(935.51636, 2324.01)(936.5156, 997.69495)(937.50977, 707.56)(919.5442, 1463.715)(920.5511, 917.255)(921.5454, 613.34503)" "(3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1-2)-glucoside] 26-glucoside" FindByFormula HMDB34375 + 896.5531 15.1135 "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol" "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol [ C22 H34 O6, db=59.10, tgt=, overall=59.10, CAS ID=, HMP ID=HMDB31964, METLIN ID=88076 ]" "(417.2249, 3051.665)(418.23102, 1145.635)" "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol" FindByFormula HMDB31964 + 416.216 9.6385 "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol - 10.207601" "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol [ C22 H34 O6, db=94.72, tgt=, overall=94.72, CAS ID=, HMP ID=HMDB31964, METLIN ID=88076 ]" "(393.2273, 3729.386)(394.2303, 925.6681)(395.2423, 77.62)" "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol - 10.207601" FindByFormula HMDB31964 - 394.2342 10.207601 "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol - 10.761666" "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol [ C22 H34 O6, db=91.35, tgt=, overall=91.35, CAS ID=, HMP ID=HMDB31964, METLIN ID=88076 ]" "(393.22702, 2146.37)(394.22964, 547.47003)(395.2436, 31.86)" "(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol - 10.761666" FindByFormula HMDB31964 - 394.2352 10.761666 "(3beta,24S,24'S)-fucosterol epoxide" "(3beta,24S,24'S)-fucosterol epoxide [ C29 H48 O2, db=80.03, tgt=, overall=80.03, Lipid ID=LMST01040168, METLIN ID=84104 ]" "(429.37085, 2668.53)(430.37952, 1018.89996)(431.37726, 336.93)" "(3beta,24S,24'S)-fucosterol epoxide" FindByFormula + LMST01040168 428.3649 24.0135 "(3S)-3,6-Diaminohexanoate" "(3S)-3,6-Diaminohexanoate [ C6 H14 N2 O2, db=86.80, tgt=, overall=86.80, CAS ID=4299-56-3, KEGG ID=C01142, HMP ID=HMDB12114, METLIN ID=62789 ]" 4299-56-3 "(147.11324, 18573.385)(148.11592, 1343.5856)(169.09473, 3532.8755)(170.09605, 370.1908)" "(3S)-3,6-Diaminohexanoate" FindByFormula HMDB12114 + C01142 146.1058 0.7510588 "(3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan" "(3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan [ C20 H24 O7, db=91.42, tgt=, overall=91.42, Lipid ID=LMPK12080001, METLIN ID=48247 ]" "(791.2674, 313.215)(792.26013, 252.97751)(775.28845, 1313.3102)(776.2879, 669.782)(777.28754, 248.26875)(377.15878, 1934.692)(378.16058, 426.1717)(379.1633, 146.1125)(415.1133, 1535.1763)(416.11487, 292.7943)(417.115, 169.74142)(399.13962, 23165.852)(400.14337, 4909.695)(401.14474, 918.6758)(402.1454, 134.57)" "(3S)-7-hydroxy-2',3',4',5',8-pentamethoxyisoflavan" FindByFormula + LMPK12080001 376.1495 10.09708 "(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnopyranosyl-(1-4)-rhamnopyranosyl-(1-2)-[(E)-feruloyl-(-4)-rhamnosyl-(1-6)]-glucoside]" "(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnopyranosyl-(1-4)-rhamnopyranosyl-(1-2)-[(E)-feruloyl-(-4)-rhamnosyl-(1-6)]-glucoside] [ C49 H70 O21, db=83.89, tgt=, overall=83.89, CAS ID=143363-61-5, HMP ID=HMDB40688, METLIN ID=95163 ]" 143363-61-5 "(498.2333, 1619.12)(498.7315, 558.92)(499.226, 412.83)(995.4509, 5667.6797)(996.4527, 2825.63)(997.45105, 645.94)(1017.4394, 686.17)(1018.4327, 195.43)(1019.4418, 88.02)" "(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnopyranosyl-(1-4)-rhamnopyranosyl-(1-2)-[(E)-feruloyl-(-4)-rhamnosyl-(1-6)]-glucoside]" FindByFormula HMDB40688 + 994.442 1.179 (3Z)-Phycoerythrobilin "(3Z)-Phycoerythrobilin [ C33 H38 N4 O6, db=81.23, tgt=, overall=81.23, CAS ID=, KEGG ID=C05912, METLIN ID=63935 ]" "(587.2866, 2834.4019)(588.29126, 1111.755)(589.3029, 369.5625)(609.2689, 2301.826)(610.27167, 1017.854)(611.2641, 407.32)" (3Z)-Phycoerythrobilin FindByFormula + C05912 586.2791 24.427801 (3Z)-Phycoerythrobilin + 10.0725 "(3Z)-Phycoerythrobilin [ C33 H38 N4 O6, db=80.47, tgt=, overall=80.47, CAS ID=, KEGG ID=C05912, METLIN ID=63935 ]" "(587.28625, 5464.665)(588.292, 2251.9)(589.2982, 806.32996)" (3Z)-Phycoerythrobilin + 10.0725 FindByFormula + C05912 586.2814 10.0725 (3Z)-Phycoerythrobilin + 24.448 "(3Z)-Phycoerythrobilin [ C33 H38 N4 O6, db=74.62, tgt=, overall=74.62, CAS ID=, KEGG ID=C05912, METLIN ID=63935 ]" "(609.269, 2857.2434)(610.2709, 969.14996)" (3Z)-Phycoerythrobilin + 24.448 FindByFormula + C05912 608.2608 24.448 (3Z)-Phycoerythrobilin + 24.552668 "(3Z)-Phycoerythrobilin [ C33 H38 N4 O6, db=84.26, tgt=, overall=84.26, CAS ID=, KEGG ID=C05912, METLIN ID=63935 ]" "(587.2876, 4193.42)(588.29047, 1516.8566)(589.3012, 468.79666)(609.2693, 2672.91)(610.2712, 1248.27)(611.2761, 633.43)" (3Z)-Phycoerythrobilin + 24.552668 FindByFormula + C05912 586.2798 24.552668 (3Z)-Phycoerythrobilin + 9.943666 "(3Z)-Phycoerythrobilin [ C33 H38 N4 O6, db=92.51, tgt=, overall=92.51, CAS ID=, KEGG ID=C05912, METLIN ID=63935 ]" "(587.28644, 4015.4316)(588.2903, 1668.4867)(589.2977, 262.57)(625.24866, 289.6)" (3Z)-Phycoerythrobilin + 9.943666 FindByFormula + C05912 586.2838 9.943666 (5-Heptyl-6-methyloctahydroindolizin-8-yl)methanol "(5-Heptyl-6-methyloctahydroindolizin-8-yl)methanol [ C17 H33 N O, db=75.55, tgt=, overall=75.55, METLIN ID=263930 ]" "(268.26337, 996.06494)(269.2647, 240.85501)" (5-Heptyl-6-methyloctahydroindolizin-8-yl)methanol FindByFormula + 267.2555 11.87125 "(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide" "(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide [ C23 H28 O5, db=85.93, tgt=, overall=85.93, CAS ID=403613-16-1, HMP ID=HMDB31380, METLIN ID=87633 ]" 403613-16-1 "(383.18732, 9353.334)(384.18967, 3029.1948)(385.19003, 801.7777)" "(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide" FindByFormula HMDB31380 - 384.195 23.985954 "(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide - 24.008373" "(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide [ C23 H28 O5, db=85.92, tgt=, overall=85.92, CAS ID=403613-16-1, HMP ID=HMDB31380, METLIN ID=87633 ]" 403613-16-1 "(383.18796, 9427.002)(384.19025, 2988.6528)(385.19144, 737.7887)" "(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide - 24.008373" FindByFormula HMDB31380 - 384.1953 24.008373 "(6R)-vitamin D2 6,19-sulfur dioxide adduct" "(6R)-vitamin D2 6,19-sulfur dioxide adduct [ C28 H44 O3 S, db=88.02, tgt=, overall=88.02, Lipid ID=LMST03010034, METLIN ID=41911 ]" "(461.30905, 8652.02)(462.3092, 2198.4)(463.3114, 580.12)" "(6R)-vitamin D2 6,19-sulfur dioxide adduct" FindByFormula + LMST03010034 460.3035 12.886499 "(6R)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct" "(6R)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct [ C35 H49 N3 O3, db=64.57, tgt=, overall=64.57, Lipid ID=LMST03020536, METLIN ID=42464 ]" "(582.3685, 5468.604)(583.37036, 1508.7928)" "(6R)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct" FindByFormula + LMST03020536 581.3628 16.018272 "(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct" "(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct [ C22 H32 O4 S, db=70.14, tgt=, overall=70.14, Lipid ID=LMST03020008, METLIN ID=41949 ]" "(415.19235, 5644.2456)(416.19403, 1294.9937)" "(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct" FindByFormula + LMST03020008 414.1845 15.179636 "(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct + 15.1689" "(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct [ C22 H32 O4 S, db=72.47, tgt=, overall=72.47, Lipid ID=LMST03020008, METLIN ID=41949 ]" "(415.1916, 7081.693)(416.19376, 1675.876)" "(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct + 15.1689" FindByFormula + LMST03020008 414.1827 15.1689 "(8R,8'R)-Secoisolariciresinol 9,9'-bis-[4-carboxy-3-hydroxy-3-methylbutanoyl-(-6)-glucoside]" "(8R,8'R)-Secoisolariciresinol 9,9'-bis-[4-carboxy-3-hydroxy-3-methylbutanoyl-(-6)-glucoside] [ C44 H62 O24, db=2.66, tgt=, overall=2.66, CAS ID=, HMP ID=HMDB40283, METLIN ID=94808 ]" "(997.353, 20636.346)(997.8477, 35820.004)(998.34644, 9739.227)(998.8392, 2274.22)" "(8R,8'R)-Secoisolariciresinol 9,9'-bis-[4-carboxy-3-hydroxy-3-methylbutanoyl-(-6)-glucoside]" FindByFormula HMDB40283 + 1992.6954 9.1883335 "(8S,Z)-6-((S)-3-Hydroxy-2-methylpropylidene)-8-methyloctahydroindolizin-8-ol" "(8S,Z)-6-((S)-3-Hydroxy-2-methylpropylidene)-8-methyloctahydroindolizin-8-ol [ C13 H23 N O2, mfg=89.00, db=89.00, tgt=, overall=89.00, METLIN ID=263684 ]" "(226.18063, 6266.817)(227.18063, 1118.7899)(228.18593, 176.24571)" "(8S,Z)-6-((S)-3-Hydroxy-2-methylpropylidene)-8-methyloctahydroindolizin-8-ol" FindByFormula + 225.1727 10.136144 (all-E)-6'-Apo-y-caroten-6'-al "(all-E)-6'-Apo-y-caroten-6'-al [ C32 H42 O, mfg=87.02, db=87.05, tgt=, overall=87.03, CAS ID=22255-36-3, HMP ID=HMDB40118, METLIN ID=94659 ]" 22255-36-3 "(443.33167, 2962.3623)(444.33627, 798.1437)(445.33582, 176.05939)" (all-E)-6'-Apo-y-caroten-6'-al FindByFormula HMDB40118 + 442.3254 19.416124 "(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene" "(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene [ C20 H22 O2, db=89.61, tgt=, overall=89.61, CAS ID=72448-90-9, HMP ID=HMDB35443, METLIN ID=90730 ]" 72448-90-9 "(589.3337, 2693.53)(295.16858, 9874.555)(296.16962, 1977.595)(297.1759, 351.2)(317.14954, 2457.495)(318.1465, 549.28)(319.1483, 168.08)" "(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene" FindByFormula HMDB35443 + 294.1587 6.5225 (R)-(+)-Acenocoumarol "(R)-(+)-Acenocoumarol [ C19 H15 N O6, db=87.67, tgt=, overall=87.67, CAS ID=66556-77-2, METLIN ID=62995 ]" 66556-77-2 "(352.0835, 6095.6035)(353.08667, 1213.9534)(354.0841, 468.20337)" (R)-(+)-Acenocoumarol FindByFormula - 353.0914 10.158 "(R)-1-O-[b-D-Glucopyranosyl-(1-6)-b-D-glucopyranoside]-1,3-octanediol" "(R)-1-O-[b-D-Glucopyranosyl-(1-6)-b-D-glucopyranoside]-1,3-octanediol [ C20 H38 O12, db=39.74, tgt=, overall=39.74, CAS ID=, HMP ID=HMDB32799, METLIN ID=88721 ]" "(471.2421, 2057.8477)(472.25656, 1082.9299)" "(R)-1-O-[b-D-Glucopyranosyl-(1-6)-b-D-glucopyranoside]-1,3-octanediol" FindByFormula HMDB32799 + 470.2323 11.83775 (R)-AM1241 "(R)-AM1241 [ C22 H22 I N3 O3, db=64.33, tgt=, overall=64.33, CAS ID=444912-51-0, METLIN ID=44941 ]" 444912-51-0 "(1073.0918, 5407.8896)(1074.1041, 2559.0352)(1075.0834, 3377.7)(526.0583, 12877.621)(527.0616, 3408.5635)(528.05756, 1905.7635)(529.0614, 359.1143)(564.01196, 613.838)(548.0403, 5786.3745)(549.04254, 1519.3691)(550.0348, 729.35645)" (R)-AM1241 FindByFormula + 525.048 8.658666 (R)-Bromoenol lactone-d7 "(R)-Bromoenol lactone-d7 [ C16 H6 D7 Br O2, db=49.08, tgt=, overall=49.08, METLIN ID=96427 ]" "(346.0428, 757.54)(347.0425, 159.96)(368.02295, 509.835)(369.0184, 374.89)" (R)-Bromoenol lactone-d7 FindByFormula + 345.039 1.0135 (R)-Ginsenoside Rg3 "(R)-Ginsenoside Rg3 [ C42 H72 O13, db=85.85, tgt=, overall=85.85, CAS ID=38243-03-7, METLIN ID=263490 ]" 38243-03-7 "(785.50104, 5647.702)(786.5037, 2497.8113)(787.50824, 838.471)(788.52704, 375.98666)" (R)-Ginsenoside Rg3 FindByFormula + 784.4923 17.878948 "(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone" "(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone [ C24 H28 O5, db=78.87, tgt=, overall=78.87, CAS ID=116207-28-4, HMP ID=HMDB40305, METLIN ID=94827 ]" 116207-28-4 "(395.18744, 1466.37)(396.18954, 402.55)" "(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone" FindByFormula HMDB40305 - 396.1958 12.1285 (S)-MG132 "(S)-MG132 [ C26 H41 N3 O5, db=90.18, tgt=, overall=90.18, CAS ID=133407-82-6, METLIN ID=45357 ]" 133407-82-6 "(973.5967, 11791.386)(974.59955, 6674.8184)(975.605, 2000.0117)(487.30405, 4586.6914)" (S)-MG132 FindByFormula + 486.2949 7.2245 (Z)-5-Oxohex-2-enedioate "(Z)-5-Oxohex-2-enedioate [ C6 H6 O5, db=79.97, tgt=, overall=79.97, CAS ID=, KEGG ID=C03453, METLIN ID=63559 ]" "(181.01033, 4887.0083)(182.01215, 447.57336)(202.99121, 513.08997)" (Z)-5-Oxohex-2-enedioate FindByFormula + C03453 180.0017 1.0825833 "[(1R)-1-[(2S,4aR,4bS,7S,8aS)-7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate" "[(1R)-1-[(2S,4aR,4bS,7S,8aS)-7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate [ C28 H46 O9, db=75.82, tgt=, overall=75.82, CAS ID=, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29043 ]" "(505.3389, 58.71)(527.3227, 2141.955)(528.3259, 633.375)" "[(1R)-1-[(2S,4aR,4bS,7S,8aS)-7-Hydroxy-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-2-yl]-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl] acetate" FindByFormula + 504.3378 6.9305 "[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate" "[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate [ C48 H78 O18, db=58.21, tgt=, overall=58.21, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29048 ]" "(965.50366, 1455.1649)(966.5113, 1568.38)(967.524, 672.9)(987.49133, 441.58502)(988.4928, 152.505)" "[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR,14bS)-10-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate" FindByFormula + 964.5016 10.57 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole "1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole [ C6 H9 N3 O4, db=83.76, tgt=, overall=83.76, METLIN ID=693 ]" "(188.06715, 12092.694)(189.06915, 1223.095)(210.05011, 684.73)" 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole FindByFormula + 187.0597 2.302 "1,1'-Bis(2-hydroxy-3-methylcarbazole)" "1,1'-Bis(2-hydroxy-3-methylcarbazole) [ C26 H20 N2 O2, db=94.04, tgt=, overall=94.04, CAS ID=155519-83-8, HMP ID=HMDB40776, METLIN ID=95241 ]" 155519-83-8 "(415.14117, 7327.5254)(416.14594, 1834.0249)(417.1437, 260.535)" "1,1'-Bis(2-hydroxy-3-methylcarbazole)" FindByFormula HMDB40776 + 414.1339 8.3805 "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one" "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one [ C24 H24 O6, db=95.30, tgt=, overall=95.30, Lipid ID=LMPK12100015, METLIN ID=48376 ]" "(795.33514, 320.48502)(796.3549, 33.45)(387.1818, 3075.098)(388.18417, 865.35266)(389.1858, 228.07835)(390.202, 36.82)(425.1371, 20201.498)(426.14038, 5035.4956)(427.1382, 2272.86)(428.13995, 453.67273)(429.1368, 104.63)(409.16336, 126567.9)(410.16632, 34500.555)(411.16888, 5895.8667)(412.171, 605.50995)(413.1645, 119.84)" "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one" FindByFormula + LMPK12100015 386.1737 13.120881 "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one + 13.111" "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one [ C24 H24 O6, db=95.98, tgt=, overall=95.98, Lipid ID=LMPK12100015, METLIN ID=48376 ]" "(387.1814, 4697.1377)(388.18488, 1184.094)(389.18924, 248.21501)(425.1369, 26295.709)(426.14023, 6302.868)(427.13858, 2979.232)(428.1388, 682.71)(429.1309, 118.07)(409.16348, 167393.02)(410.16635, 45004.758)(411.1691, 7437.228)(412.1727, 1014.95)(413.1654, 160.66)" "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one + 13.111" FindByFormula + LMPK12100015 386.1754 13.111 "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one + 13.122001" "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one [ C24 H24 O6, db=95.95, tgt=, overall=95.95, Lipid ID=LMPK12100015, METLIN ID=48376 ]" "(795.3305, 182.79)(387.18115, 2467.4934)(388.18277, 606.5267)(389.1872, 217.548)(390.1788, 46.14)(425.13635, 18274.467)(426.13974, 4360.0986)(427.13794, 2151.5598)(428.13882, 406.796)(409.1635, 130056.06)(410.16638, 35587.04)(411.169, 5719.7876)(412.17163, 700.41)" "1,2-Dihydro-5-hydroxy-2-(1-hydroxy-1-methylethyl)-4-(isobutyryl)-6-phenylfurano[2,3-h][1]benzopyran-8-one + 13.122001" FindByFormula + LMPK12100015 386.1748 13.122001 "1,2-Distearoyl phosphatidyl serine" "1,2-Distearoyl phosphatidyl serine [ C42 H82 N O10 P, db=58.91, tgt=, overall=58.91, CAS ID=51446-62-9, METLIN ID=177 ]" 51446-62-9 "(814.5596, 1397.14)(815.55316, 591.375)" "1,2-Distearoyl phosphatidyl serine" FindByFormula + 813.5515 22.0315 "1,2-Distearoyl phosphatidyl serine + 22.0315" "1,2-Distearoyl phosphatidyl serine [ C42 H82 N O10 P, db=58.91, tgt=, overall=58.91, CAS ID=51446-62-9, METLIN ID=177 ]" 51446-62-9 "(814.5596, 1397.14)(815.55316, 591.375)" "1,2-Distearoyl phosphatidyl serine + 22.0315" FindByFormula + 813.5516 22.0315 "1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene" "1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene [ C40 H64 O, db=62.50, tgt=, overall=62.50, CAS ID=51599-11-2, HMP ID=HMDB29854, METLIN ID=86548 ]" 51599-11-2 "(561.50244, 2074.177)(562.50854, 589.11)" "1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene" FindByFormula HMDB29854 + 560.498 24.162428 "1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene + 24.1525" "1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene [ C40 H64 O, mfg=58.18, db=58.65, tgt=, overall=58.42, CAS ID=51599-11-2, HMP ID=HMDB29854, METLIN ID=86548 ]" 51599-11-2 "(561.5016, 1639.55)(562.5136, 504.46)" "1,2-Epoxy-1,2,7,7',8,8',11',12'-octahydro-psi,psi-carotene + 24.1525" FindByFormula HMDB29854 + 560.4966 24.1525 "1,3,7-octanetriol" "1,3,7-octanetriol [ C8 H18 O3, db=70.78, tgt=, overall=70.78, CAS ID=217650-11-8, HMP ID=HMDB33625, METLIN ID=89425 ]" 217650-11-8 "(185.11525, 2021.75)(186.12045, 303.22)" "1,3,7-octanetriol" FindByFormula HMDB33625 + 184.1073 8.648 "1,3,7-Trimethyluric acid" "1,3,7-Trimethyluric acid [ C8 H10 N4 O3, db=86.87, tgt=, overall=86.87, CAS ID=5415-44-1, KEGG ID=C16361, HMP ID=HMDB02123, METLIN ID=58099 ]" 5415-44-1 "(209.06824, 2177.8533)(210.0706, 196.49)" "1,3,7-Trimethyluric acid" FindByFormula HMDB02123 - C16361 210.0761 6.529333 "1,3-Dimethyl-8-isoquinolinol" "1,3-Dimethyl-8-isoquinolinol [ C11 H11 N O, db=87.49, tgt=, overall=87.49, KEGG ID=C12346, METLIN ID=69446 ]" "(174.0914, 9556.891)(175.09435, 1116.91)" "1,3-Dimethyl-8-isoquinolinol" FindByFormula + C12346 173.0842 2.457 "1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate)" "1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate) [ C12 H18 O5 S, db=99.39, tgt=, overall=99.39, CAS ID=114991-27-4, METLIN ID=2160 ]" 114991-27-4 "(273.08047, 12744.528)(274.08356, 1860.2487)(275.0792, 763.4801)" "1,4-Benzenediol, 2,6-bis(1-methylethyl)-, 4-(hydrogen sulfate)" FindByFormula - 274.0853 9.5704 "1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo-" "1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- [ C11 H10 N2 O4, db=84.03, tgt=, overall=84.03, CAS ID=54563-35-8, METLIN ID=1413 ]" 54563-35-8 "(257.05365, 5496.4077)(258.05655, 863.27246)" "1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo-" FindByFormula + 256.0465 7.1661253 "1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- - 7.189333" "1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- [ C11 H10 N2 O4, db=81.72, tgt=, overall=81.72, CAS ID=54563-35-8, METLIN ID=1413 ]" 54563-35-8 "(233.05672, 2733.8164)(234.06099, 256.41333)" "1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-hydroxy-4-oxo- - 7.189333" FindByFormula - 234.0646 7.189333 "1,9-dideoxyforskolin" "1,9-dideoxyforskolin [ C22 H34 O5, db=74.00, tgt=, overall=74.00, Lipid ID=LMPR0104030009, METLIN ID=53594 ]" "(401.22943, 3372.51)(402.2342, 1045.47)" "1,9-dideoxyforskolin" FindByFormula + LMPR0104030009 400.2216 10.55 "1,9-dideoxyforskolin - 10.559999" "1,9-dideoxyforskolin [ C22 H34 O5, db=72.99, tgt=, overall=72.99, Lipid ID=LMPR0104030009, METLIN ID=53594 ]" "(377.23193, 3278.9548)(378.23438, 904.82495)" "1,9-dideoxyforskolin - 10.559999" FindByFormula - LMPR0104030009 378.2382 10.559999 "1,9-dideoxyforskolin - 10.559999 :1" "1,9-dideoxyforskolin [ C22 H34 O5, db=72.99, tgt=, overall=72.99, Lipid ID=LMPR0104030009, METLIN ID=53594 ]" "(377.23193, 3278.9548)(378.23438, 904.82495)" "1,9-dideoxyforskolin - 10.559999 :1" FindByFormula - LMPR0104030009 378.2387 10.559999 "1,9-dideoxyforskolin - 11.156334" "1,9-dideoxyforskolin [ C22 H34 O5, db=77.55, tgt=, overall=77.55, Lipid ID=LMPR0104030009, METLIN ID=53594 ]" "(377.23267, 1357.3267)(378.23572, 390.23666)" "1,9-dideoxyforskolin - 11.156334" FindByFormula - LMPR0104030009 378.2392 11.156334 "1,9-dideoxyforskolin - 11.1622505" "1,9-dideoxyforskolin [ C22 H34 O5, db=73.14, tgt=, overall=73.14, Lipid ID=LMPR0104030009, METLIN ID=53594 ]" "(377.23166, 1713.4724)(378.23508, 477.83002)" "1,9-dideoxyforskolin - 11.1622505" FindByFormula - LMPR0104030009 378.2387 11.1622505 "1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone" "1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone [ C36 H65 N O2, db=67.52, tgt=, overall=67.52, CAS ID=158528-01-9, HMP ID=HMDB35518, METLIN ID=90799 ]" 158528-01-9 "(544.5097, 34573.39)(545.5164, 1678.7501)(546.5206, 167.79)" "1-[1,4-Dihydro-4-nonyl-5-(1-oxodecyl)-3-pyridinyl]-1-dodecanone" FindByFormula HMDB35518 + 543.5013 6.9466667 1000.093@7.231 "(1001.099, 7542.68)(1002.10284, 4283.935)(1003.1046, 2279.51)" 1000.093@7.231 FindByFormula + 1000.093 7.231 1000.4936@7.925 "(1001.50037, 803.055)(1002.487, 410.015)" 1000.4936@7.925 FindByFormula + 1000.4936 7.925 1000.4986@9.843 "(1001.4966, 4356.3647)(1002.5065, 2652.53)(1003.51117, 1759.13)" 1000.4986@9.843 FindByFormula + 1000.4986 9.843 1000.708@26.8205 "(1001.723, 4012.4)(1002.72644, 2104.98)(1003.7295, 1240.5801)(1004.7228, 466.04)(1023.7206, 80.7)" 1000.708@26.8205 FindByFormula + 1000.708 26.8205 1000.7081@26.443314 "(1001.71954, 10595.094)(1002.72784, 5609.87)(1003.73285, 2513.9648)(1004.7341, 991.97003)(1023.70917, 361.298)" 1000.7081@26.443314 FindByFormula + 1000.7081 26.443314 1000.8921@7.1932497 "(1001.90283, 3006.79)(1002.908, 2917.645)" 1000.8921@7.1932497 FindByFormula + 1000.8921 7.1932497 1000.8986@8.266001 "(1001.909, 909.57996)(1002.90356, 825.28)" 1000.8986@8.266001 FindByFormula + 1000.8986 8.266001 100-1 "100-1 [ C31 H34 O10, db=85.32, tgt=, overall=85.32, CAS ID=, KEGG ID=C12405, METLIN ID=63788 ]" "(1171.4172, 75.71)(567.22186, 6388.75)(568.22577, 1855.5568)(569.222, 653.26666)" 100-1 FindByFormula + C12405 566.215 13.657584 100-1 + 13.651667 "100-1 [ C31 H34 O10, db=94.06, tgt=, overall=94.06, CAS ID=, KEGG ID=C12405, METLIN ID=63788 ]" "(1171.4042, 127.27)(567.22156, 5471.7554)(568.22534, 1607.7389)(569.22833, 509.84335)" 100-1 + 13.651667 FindByFormula + C12405 566.2152 13.651667 1001.7203@26.438543 "(1002.7263, 4776.2974)(1003.72986, 2165.0146)(1004.7326, 702.32355)(1005.7446, 202.22333)" 1001.7203@26.438543 FindByFormula + 1001.7203 26.438543 1002.4883@15.187 "(1003.5049, 6159.93)(1004.494, 3533.74)(1005.49664, 1078.2949)(1006.4954, 844.78)" 1002.4883@15.187 FindByFormula + 1002.4883 15.187 1002.6338@15.554334 "(502.32474, 3300.89)(502.8326, 369.47665)(503.3296, 1150.4567)" 1002.6338@15.554334 FindByFormula + 1002.6338 15.554334 1003.0339@7.631714 "(502.52237, 2546.25)(503.0233, 976.79144)" 1003.0339@7.631714 FindByFormula + 1003.0339 7.631714 1004.4905@13.7247505 "(1003.4899, 1188.52)(1004.4949, 636.5126)" 1004.4905@13.7247505 FindByFormula - 1004.4905 13.7247505 1004.6076@6.5616255 "(503.31113, 1807.5986)(503.81723, 966.3787)(504.3124, 451.72003)(1005.6184, 7635.4775)(1006.6206, 4469.443)(1007.62317, 1523.3125)(1008.6164, 210.26714)(514.3032, 2620.1648)(514.8116, 1330.1825)(515.3019, 945.08496)(1027.5988, 5437.8)(1028.605, 2949.9873)(1029.6045, 1019.08)(1030.5944, 308.48)" 1004.6076@6.5616255 FindByFormula + 1004.6076 6.5616255 1004.7418@26.434832 "(1005.74927, 980.3675)(1006.7537, 410.535)(1043.7008, 5733.9575)(1044.703, 3543.8867)(1045.6969, 2077.7966)(1046.681, 759.875)" 1004.7418@26.434832 FindByFormula + 1004.7418 26.434832 1005.0784@8.172999 "(503.5442, 4370.76)(504.0448, 2933.5576)(504.5484, 520.805)(1006.05695, 2017.9467)" 1005.0784@8.172999 FindByFormula + 1005.0784 8.172999 1005.5734@8.154 "(503.7966, 5899.87)(504.29022, 1980.625)(504.78552, 84.490005)" 1005.5734@8.154 FindByFormula + 1005.5734 8.154 1005.7559@24.399 "(1006.76306, 960.46497)(1007.7632, 490.645)" 1005.7559@24.399 FindByFormula + 1005.7559 24.399 1006.2875@2.4965 "(1007.2931, 2668.8052)(1008.2981, 1266.49)" 1006.2875@2.4965 FindByFormula + 1006.2875 2.4965 1006.3015@1.235 "(1007.3087, 361.14)(1008.3072, 244.5)" 1006.3015@1.235 FindByFormula + 1006.3015 1.235 1006.4782@8.224501 "(1005.474, 1279.8875)(1006.4802, 653.2175)" 1006.4782@8.224501 FindByFormula - 1006.4782 8.224501 1006.5883@16.41257 "(1007.5918, 3488.241)(1008.6026, 2307.637)(1009.5964, 951.3)(1010.59406, 48.67333)" 1006.5883@16.41257 FindByFormula + 1006.5883 16.41257 1006.6623@15.682 "(504.34094, 2009.9149)(504.85486, 254.375)(505.3395, 907.51)" 1006.6623@15.682 FindByFormula + 1006.6623 15.682 1006.6657@15.4515 "(504.34055, 2692.675)(504.8316, 530.73)(505.34555, 721.555)" 1006.6657@15.4515 FindByFormula + 1006.6657 15.4515 1007.2289@1.9185 "(1008.2294, 1773.64)(1009.22546, 1543.0449)(1010.2324, 1147.76)(1030.2229, 2111.745)(1031.219, 1509.6649)(1032.2393, 1593.76)" 1007.2289@1.9185 FindByFormula + 1007.2289 1.9185 1008.1291@26.521002 "(1009.1396, 577.97003)(1010.1343, 323.89667)" 1008.1291@26.521002 FindByFormula + 1008.1291 26.521002 1008.572@8.660999 "(505.29272, 715.92)(505.8, 275.13)(1009.57574, 64498.36)(1010.57855, 32931.824)(1011.5772, 11119.699)(1012.57745, 4100.9375)(1013.5918, 1688.9033)(524.2802, 912.47)(524.7773, 523.92)" 1008.572@8.660999 FindByFormula + 1008.572 8.660999 1008.6497@24.235334 "(1009.6578, 6083.717)(1010.66364, 3568.423)(1011.67645, 5788.06)(1012.68134, 3094.3835)" 1008.6497@24.235334 FindByFormula + 1008.6497 24.235334 101.9628@27.0704 "(204.934, 183.64667)(102.9705, 29281.428)(103.97246, 567.01196)(104.972435, 494.91)" 101.9628@27.0704 FindByFormula + 101.9628 27.0704 101.9628@28.0485 "(102.970604, 3570.2415)(103.97452, 231.75832)(104.97019, 299.82666)" 101.9628@28.0485 FindByFormula + 101.9628 28.0485 101.9628@28.3888 "(102.97044, 4234.1396)(103.97472, 155.70999)(104.96903, 226.7)" 101.9628@28.3888 FindByFormula + 101.9628 28.3888 101.9631@27.0645 "(102.9705, 19102.643)(103.97217, 385.505)(104.9729, 312.255)" 101.9631@27.0645 FindByFormula + 101.9631 27.0645 101.9632@27.400694 "(204.93196, 363.075)(102.97054, 40282.918)(103.97356, 661.05536)(104.9715, 659.65875)" 101.9632@27.400694 FindByFormula + 101.9632 27.400694 101.9632@28.44825 "(102.9707, 4424.395)(103.97312, 209.1125)(104.96875, 261.6)" 101.9632@28.44825 FindByFormula + 101.9632 28.44825 101.9633@26.999334 "(204.933, 247.38)(102.97053, 19621.453)(103.97217, 464.70996)(104.9743, 399.16)" 101.9633@26.999334 FindByFormula + 101.9633 26.999334 101.9633@27.398575 "(204.9328, 228.70111)(102.97059, 37289.824)(103.973816, 587.9371)(104.97139, 605.9011)" 101.9633@27.398575 FindByFormula + 101.9633 27.398575 101.9635@27.425165 "(204.9322, 107.265)(102.97052, 46113.8)(103.97387, 700.4816)(104.971924, 634.6675)" 101.9635@27.425165 FindByFormula + 101.9635 27.425165 1010.6628@26.963501 "(1011.6725, 5847.3853)(1012.6775, 4256.9053)(1013.6715, 5572.3955)(1014.67615, 3357.525)(1015.7012, 754.93)" 1010.6628@26.963501 FindByFormula + 1010.6628 26.963501 1010.6644@25.00375 "(1011.67395, 69965.42)(1012.6771, 45777.13)(1013.6768, 13349.454)(1014.67865, 3537.536)" 1010.6644@25.00375 FindByFormula + 1010.6644 25.00375 1010.6644@26.442638 "(1011.6713, 10992.665)(1012.67737, 6880.6406)(1013.6715, 12123.653)(1014.6754, 6792.411)(1015.7034, 6476.0303)" 1010.6644@26.442638 FindByFormula + 1010.6644 26.442638 1010.6653@26.418499 "(1011.67236, 12547.323)(1012.67834, 7665.117)(1013.6729, 11837.183)(1014.6759, 6340.855)" 1010.6653@26.418499 FindByFormula + 1010.6653 26.418499 1010.6654@25.006384 "(1011.6737, 80406.19)(1012.67694, 52477.29)(1013.6777, 18970.26)(1014.68, 4979.9478)" 1010.6654@25.006384 FindByFormula + 1010.6654 25.006384 1010.6665@24.871643 "(1011.6744, 42599.32)(1012.6785, 26882.125)(1013.6761, 15809.239)(1014.67847, 5266.604)" 1010.6665@24.871643 FindByFormula + 1010.6665 24.871643 1010.6666@24.112333 "(1011.67487, 5980.438)(1012.68286, 3564.5315)" 1010.6666@24.112333 FindByFormula + 1010.6666 24.112333 1010.6683@24.960531 "(1011.6741, 82496.43)(1012.6773, 53623.516)(1013.67664, 18239.451)(1014.67847, 4643.9424)" 1010.6683@24.960531 FindByFormula + 1010.6683 24.960531 1010.7927@4.035333 "(1011.8015, 2670.7334)(1012.7998, 822.1433)(1013.79144, 468.21667)(1033.7822, 904.18335)(1034.7811, 353.33667)(1035.8062, 78.4)" 1010.7927@4.035333 FindByFormula + 1010.7927 4.035333 1010.7935@4.0245 "(1011.80176, 3472.9648)(1012.8004, 1002.69006)(1013.7948, 642.70496)(1033.7849, 1291.515)(1034.7812, 455.505)" 1010.7935@4.0245 FindByFormula + 1010.7935 4.0245 1011.5042@8.367001 "(1012.5116, 4100.3604)(1013.5128, 1100.69)(1014.5107, 86.68)" 1011.5042@8.367001 FindByFormula + 1011.5042 8.367001 1011.6092@6.7536664 "(1010.6087, 973.1534)(1011.6047, 655.97003)" 1011.6092@6.7536664 FindByFormula - 1011.6092 6.7536664 1011.6437@1.6389999 "(507.07675, 1074.925)(507.3299, 960.62)(1012.65137, 1458.6951)(1013.6492, 837.555)" 1011.6437@1.6389999 FindByFormula + 1011.6437 1.6389999 1012.633@7.1435 "(1011.62805, 1095.0)(1012.6294, 621.225)" 1012.633@7.1435 FindByFormula - 1012.633 7.1435 1012.6628@25.661499 "(1013.67114, 4653.5146)(1014.6738, 2213.7002)" 1012.6628@25.661499 FindByFormula + 1012.6628 25.661499 1012.6631@24.509443 "(1013.6692, 29714.896)(1014.6724, 19636.734)(1015.68427, 8346.27)(1016.69556, 2763.8955)" 1012.6631@24.509443 FindByFormula + 1012.6631 24.509443 1012.6638@25.613335 "(1013.67255, 3813.1335)(1014.6753, 1844.93)" 1012.6638@25.613335 FindByFormula + 1012.6638 25.613335 1012.664@26.857666 "(1013.6721, 4354.2734)(1014.67474, 2467.3767)" 1012.664@26.857666 FindByFormula + 1012.664 26.857666 1012.6649@26.437262 "(1013.6734, 11452.795)(1014.6768, 6258.931)(1015.7023, 8104.88)" 1012.6649@26.437262 FindByFormula + 1012.6649 26.437262 1012.665@26.756456 "(1013.67267, 7086.089)(1014.676, 4088.6611)" 1012.665@26.756456 FindByFormula + 1012.665 26.756456 1012.6654@24.495602 "(1013.6704, 27065.543)(1014.67346, 17715.389)(1015.6864, 7672.754)(1016.696, 2485.5051)(1017.7108, 704.8957)" 1012.6654@24.495602 FindByFormula + 1012.6654 24.495602 1012.6658@24.27555 "(1013.66876, 24010.312)(1014.67206, 15550.045)(1015.6881, 7574.835)(1016.69946, 3053.478)" 1012.6658@24.27555 FindByFormula + 1012.6658 24.27555 1012.6664@24.194689 "(1013.67035, 22941.922)(1014.6737, 14734.519)(1015.69104, 6833.3633)(1016.6997, 2404.915)(1017.7124, 1191.3279)" 1012.6664@24.194689 FindByFormula + 1012.6664 24.194689 1012.6672@26.4186 "(1013.6717, 14090.459)(1014.675, 8129.7397)" 1012.6672@26.4186 FindByFormula + 1012.6672 26.4186 1012.6681@26.444 "(1013.67456, 11346.504)(1014.679, 5904.72)" 1012.6681@26.444 FindByFormula + 1012.6681 26.444 1012.6687@24.8715 "(1013.67755, 15898.125)(1014.67944, 4698.085)(1015.697, 1140.685)" 1012.6687@24.8715 FindByFormula + 1012.6687 24.8715 1012.6905@22.744251 "(1013.6883, 6620.62)(1014.69226, 3492.0452)(1015.7091, 1869.8225)(1016.71484, 562.9425)" 1012.6905@22.744251 FindByFormula + 1012.6905 22.744251 1012.6927@26.4615 "(1013.6983, 8037.665)(1014.70447, 4876.4453)(1015.71075, 5388.31)(1016.7112, 4505.38)(1017.7134, 3065.62)" 1012.6927@26.4615 FindByFormula + 1012.6927 26.4615 1012.8043@26.5825 "(1013.8103, 2409.68)(1014.82526, 1313.35)" 1012.8043@26.5825 FindByFormula + 1012.8043 26.5825 1012.9297@7.9115 "(1013.9402, 247.31)(1014.9278, 138.47)(1035.9128, 1491.15)(1036.92, 988.56)" 1012.9297@7.9115 FindByFormula + 1012.9297 7.9115 1013.2325@1.9412501 "(1014.2457, 4007.6797)(1015.24304, 2447.26)(1016.2415, 1209.015)(1036.2401, 986.615)" 1013.2325@1.9412501 FindByFormula + 1013.2325 1.9412501 1013.6304@7.443 "(1012.615, 2150.6)(1013.6157, 1152.1001)(1014.6202, 431.12)" 1013.6304@7.443 FindByFormula - 1013.6304 7.443 1013.6378@14.7325 "(507.8277, 7568.0)(508.32614, 4455.475)" 1013.6378@14.7325 FindByFormula + 1013.6378 14.7325 1013.6635@24.446215 "(1014.67236, 12499.912)(1015.6841, 4696.741)(1016.69275, 1357.5208)" 1013.6635@24.446215 FindByFormula + 1013.6635 24.446215 1014.4444@24.028 "(1015.4508, 2601.995)(1016.4531, 1736.56)(1017.4618, 612.79004)(1018.4477, 209.46)" 1014.4444@24.028 FindByFormula + 1014.4444 24.028 1014.6099@7.605 "(506.29837, 812.4633)(506.79642, 402.8633)(1013.6039, 1320.5175)(1014.60516, 717.23)" 1014.6099@7.605 FindByFormula - 1014.6099 7.605 1014.6923@25.104834 "(1015.6989, 8980.742)(1016.7065, 5482.402)(1017.71515, 1918.3734)" 1014.6923@25.104834 FindByFormula + 1014.6923 25.104834 1014.6928@24.149 "(1015.6967, 4155.45)(1016.7068, 2264.0)(1017.71857, 732.41)(1018.7142, 215.84)" 1014.6928@24.149 FindByFormula + 1014.6928 24.149 1014.6932@25.1127 "(1015.6999, 8559.326)(1016.7069, 4898.017)(1017.7147, 1858.3619)(1018.7223, 697.0813)" 1014.6932@25.1127 FindByFormula + 1014.6932 25.1127 1014.6978@26.462 "(1015.70557, 7667.779)(1016.7107, 4487.4194)(1017.7129, 2387.9429)(1018.71326, 995.0628)(1019.7269, 171.245)" 1014.6978@26.462 FindByFormula + 1014.6978 26.462 1014.6993@26.456202 "(1015.70605, 8859.155)(1016.7106, 5295.839)(1017.7129, 2806.833)(1018.7118, 1382.585)" 1014.6993@26.456202 FindByFormula + 1014.6993 26.456202 1014.7008@26.422333 "(1015.7061, 8492.571)(1016.7111, 5049.027)(1017.7132, 2446.8318)(1018.71844, 333.74667)" 1014.7008@26.422333 FindByFormula + 1014.7008 26.422333 1015.3103@24.236 "(1016.31555, 1694.9299)(1017.317, 667.29004)" 1015.3103@24.236 FindByFormula + 1015.3103 24.236 1015.4736@8.2635 "(1027.4727, 3768.01)(1027.976, 2032.01)(1016.4792, 2354.83)(1017.5022, 1237.52)(1018.4812, 1054.52)" 1015.4736@8.2635 FindByFormula + 1015.4736 8.2635 1015.7014@25.116802 "(1016.7086, 3746.86)(1017.71545, 1310.8739)(1018.7206, 452.496)" 1015.7014@25.116802 FindByFormula + 1015.7014 25.116802 1015.7068@26.477879 "(1016.7108, 4379.7954)(1017.7124, 2484.953)(1018.7145, 932.30945)(1019.7302, 219.71333)" 1015.7068@26.477879 FindByFormula + 1015.7068 26.477879 1015.7072@26.445 "(1016.70953, 6422.7134)(1017.71313, 3218.0)(1018.7146, 1428.4467)" 1015.7072@26.445 FindByFormula + 1015.7072 26.445 1016.5622@7.2221427 "(509.28674, 814.915)(509.78717, 251.935)(510.29248, 153.97)(1017.5665, 15667.979)(1018.5635, 8286.55)(1019.567, 3233.7146)(1020.55505, 1039.38)(520.2793, 56.56)(520.7869, 155.83)" 1016.5622@7.2221427 FindByFormula + 1016.5622 7.2221427 1016.7051@26.433502 "(1017.7128, 4535.6245)(1018.71515, 2609.715)(1019.72925, 1438.11)" 1016.7051@26.433502 FindByFormula + 1016.7051 26.433502 1016.8127@4.7644997 "(1017.82043, 1762.2)(1018.8181, 484.19)" 1016.8127@4.7644997 FindByFormula + 1016.8127 4.7644997 1017.5258@8.135667 "(1018.5307, 1814.1166)(1019.529, 1365.3365)" 1017.5258@8.135667 FindByFormula + 1017.5258 8.135667 1018.6017@14.750999 "(1019.6074, 5447.9053)(1020.61096, 3139.6)(1021.62244, 1821.785)(1022.6241, 630.59)" 1018.6017@14.750999 FindByFormula + 1018.6017 14.750999 1018.6026@11.468666 "(1019.6087, 3698.7031)(1020.6123, 2123.45)(1021.6218, 905.69336)(1041.5892, 2141.75)(1042.5939, 1131.2034)(1043.6029, 393.81003)" 1018.6026@11.468666 FindByFormula + 1018.6026 11.468666 1018.699@16.001999 "(532.33716, 7601.9053)(532.84814, 486.72998)(533.3406, 1992.22)" 1018.699@16.001999 FindByFormula + 1018.699 16.001999 1018.7204@24.120625 "(1019.74524, 909.55)(1020.7623, 492.61)(1021.76306, 367.695)(1057.6807, 4155.061)(1058.6838, 2539.9224)(1059.6827, 1488.8013)" 1018.7204@24.120625 FindByFormula + 1018.7204 24.120625 1019.2505@1.9566666 "(1020.263, 2631.1882)(1021.2636, 1643.4684)(1022.25824, 1002.6717)" 1019.2505@1.9566666 FindByFormula + 1019.2505 1.9566666 102.9478@25.604536 "(103.9554, 13980.936)(104.95784, 317.17535)(105.9536, 6263.0366)(106.95579, 308.68887)" 102.9478@25.604536 FindByFormula + 102.9478 25.604536 102.9479@26.085436 "(103.9555, 38172.492)(104.95831, 1025.562)(105.95364, 17289.889)(106.955055, 593.7166)" 102.9479@26.085436 FindByFormula + 102.9479 26.085436 102.948@24.203875 "(103.95564, 8663.734)(104.957504, 290.0675)(105.953476, 3906.7075)(106.95597, 238.16667)" 102.948@24.203875 FindByFormula + 102.948 24.203875 102.9481@26.086924 "(103.95549, 40801.973)(104.9583, 1075.0078)(105.95365, 18539.139)(106.9551, 575.175)" 102.9481@26.086924 FindByFormula + 102.9481 26.086924 102.9482@26.077427 "(103.95554, 36289.605)(104.95779, 973.9739)(105.9537, 16609.14)(106.95504, 558.71075)" 102.9482@26.077427 FindByFormula + 102.9482 26.077427 102.9486@25.607553 "(103.955475, 7994.623)(104.957886, 214.25888)(105.95375, 3633.6724)(106.95654, 206.77998)" 102.9486@25.607553 FindByFormula + 102.9486 25.607553 1020.7146@26.435286 "(1021.7089, 382.25)(1022.7197, 27.5)(1043.701, 5454.107)(1044.702, 3520.8757)(1045.6932, 2384.6772)(1046.6835, 972.24426)" 1020.7146@26.435286 FindByFormula + 1020.7146 26.435286 1022.5509@8.311334 "(1023.55273, 5893.027)(1024.5598, 3343.5732)" 1022.5509@8.311334 FindByFormula + 1022.5509 8.311334 1022.5531@8.725 "(1023.5574, 9182.936)(1024.5566, 4209.6797)(1025.5544, 3106.55)(1026.5437, 1065.72)" 1022.5531@8.725 FindByFormula + 1022.5531 8.725 1022.5866@6.6745 "(1023.5913, 2917.025)(1024.5952, 1572.1)" 1022.5866@6.6745 FindByFormula + 1022.5866 6.6745 1024.6404@24.16375 "(1025.651, 2316.3625)(1026.6566, 1765.7275)(1027.6636, 1110.2275)(1028.6799, 262.23)" 1024.6404@24.16375 FindByFormula + 1024.6404 24.16375 1024.6462@23.21489 "(1025.6528, 19477.59)(1026.6565, 12124.191)(1027.662, 4225.945)(1028.668, 1347.7524)" 1024.6462@23.21489 FindByFormula + 1024.6462 23.21489 1024.6788@15.375999 "(1025.6838, 92091.13)(1026.6843, 48381.5)(1027.6887, 16368.545)(1028.6941, 4129.1104)(1029.688, 1079.89)" 1024.6788@15.375999 FindByFormula + 1024.6788 15.375999 1025.48@22.3755 "(1026.4883, 970.265)(1027.4885, 630.245)" 1025.48@22.3755 FindByFormula + 1025.48 22.3755 1025.649@23.2135 "(1026.6562, 14568.713)(1027.6611, 5409.415)(1028.6677, 1272.719)" 1025.649@23.2135 FindByFormula + 1025.649 23.2135 1026.5945@6.5519996 "(514.30347, 2211.62)(514.8096, 933.64)(1027.602, 5329.8877)(1028.6025, 2727.19)(1029.6055, 1310.7766)(1049.5801, 1004.7933)(1050.5868, 484.61002)(1051.5878, 287.74)" 1026.5945@6.5519996 FindByFormula + 1026.5945 6.5519996 1026.6414@24.926123 "(1027.6497, 13712.7295)(1028.6532, 8920.237)" 1026.6414@24.926123 FindByFormula + 1026.6414 24.926123 1026.6415@24.972067 "(1027.6481, 14206.869)(1028.6515, 8907.17)" 1026.6415@24.972067 FindByFormula + 1026.6415 24.972067 1026.644@24.961033 "(1027.6486, 15295.514)(1028.652, 9669.531)" 1026.644@24.961033 FindByFormula + 1026.644 24.961033 1026.6545@26.52478 "(1027.6588, 1746.479)(1028.6613, 1056.5112)" 1026.6545@26.52478 FindByFormula + 1026.6545 26.52478 1027.6472@25.029001 "(1028.652, 6323.1304)(1029.6802, 4448.4263)(1030.6935, 2380.74)" 1027.6472@25.029001 FindByFormula + 1027.6472 25.029001 1028.2764@2.587 "(515.14465, 1310.405)(515.64233, 641.525)" 1028.2764@2.587 FindByFormula + 1028.2764 2.587 1028.6772@23.980299 "(1029.6892, 6321.4785)(1030.6941, 4153.218)(1031.698, 2701.175)(1032.7, 962.51)" 1028.6772@23.980299 FindByFormula + 1028.6772 23.980299 1028.6792@24.889875 "(1029.6871, 3454.96)(1030.6957, 2014.895)(1031.6978, 693.205)" 1028.6792@24.889875 FindByFormula + 1028.6792 24.889875 1028.6793@24.32973 "(1029.6914, 4194.4736)(1030.6964, 2433.8455)(1031.6997, 1081.5775)(1032.7018, 399.24332)" 1028.6793@24.32973 FindByFormula + 1028.6793 24.32973 1028.6805@19.732 "(1029.688, 3868.5552)(1030.6877, 2333.9849)(1031.685, 863.93005)" 1028.6805@19.732 FindByFormula + 1028.6805 19.732 1028.6807@23.524 "(1029.6868, 1038.785)(1030.6929, 794.65)" 1028.6807@23.524 FindByFormula + 1028.6807 23.524 1028.682@23.147501 "(1029.6886, 2295.0024)(1030.6929, 1813.095)" 1028.682@23.147501 FindByFormula + 1028.682 23.147501 1028.6826@23.9975 "(1029.6907, 8266.365)(1030.6946, 5296.645)(1031.701, 1609.9)(1032.7052, 572.03)" 1028.6826@23.9975 FindByFormula + 1028.6826 23.9975 1028.686@23.987623 "(1029.6896, 8043.0405)(1030.6938, 5184.9233)(1031.696, 2863.24)(1032.6991, 1051.0316)" 1028.686@23.987623 FindByFormula + 1028.686 23.987623 1028.6862@24.336668 "(1029.6925, 3738.4348)(1030.6976, 2127.8818)(1031.7, 1173.5267)(1032.702, 373.42)" 1028.6862@24.336668 FindByFormula + 1028.6862 24.336668 1028.6873@26.458714 "(1029.6968, 3278.0173)(1030.7045, 2084.9514)(1031.6964, 1540.7129)(1032.7003, 943.1225)(1033.7141, 1329.5801)(1034.7208, 779.14)" 1028.6873@26.458714 FindByFormula + 1028.6873 26.458714 1029.6787@24.469 "(1030.6943, 1945.7239)(1031.6985, 555.838)(1032.6948, 153.985)" 1029.6787@24.469 FindByFormula + 1029.6787 24.469 1029.6823@24.023 "(1030.6918, 7212.5176)(1031.6954, 4001.27)(1032.6965, 1580.53)" 1029.6823@24.023 FindByFormula + 1029.6823 24.023 1029.6825@25.026001 "(1030.6936, 2739.2026)(1031.6951, 872.4625)(1032.6971, 433.275)" 1029.6825@25.026001 FindByFormula + 1029.6825 25.026001 1029.6852@25.087502 "(1030.6956, 3174.8499)(1031.6956, 1469.02)(1032.6975, 525.8)" 1029.6852@25.087502 FindByFormula + 1029.6852 25.087502 1029.6866@24.088333 "(1030.6927, 4279.4863)(1031.6967, 2292.4768)(1032.6965, 1334.86)" 1029.6866@24.088333 FindByFormula + 1029.6866 24.088333 1029.6892@24.926199 "(1030.695, 3698.4297)(1031.698, 1351.4141)(1032.7024, 626.44495)" 1029.6892@24.926199 FindByFormula + 1029.6892 24.926199 103.0461@1.0835 "(104.053955, 3103.915)(105.054794, 323.47998)(106.0496, 269.915)" 103.0461@1.0835 FindByFormula + 103.0461 1.0835 103.9957@27.215 "(105.00338, 5072.612)(106.003174, 674.138)(107.00094, 1056.98)" 103.9957@27.215 FindByFormula + 103.9957 27.215 103.996@27.206501 "(105.00335, 3911.875)(106.003296, 725.83997)(107.00165, 1058.175)" 103.996@27.206501 FindByFormula + 103.996 27.206501 103.9961@27.5215 "(105.00345, 4226.3853)(106.00423, 506.96)(107.00078, 789.9525)" 103.9961@27.5215 FindByFormula + 103.9961 27.5215 103.9968@0.5615 "(105.004105, 3666.6702)(106.00545, 731.57)(107.001755, 1115.155)" 103.9968@0.5615 FindByFormula + 103.9968 0.5615 1030.5583@8.651 "(516.28735, 8674.665)(516.79126, 3877.79)(517.28735, 1555.3351)" 1030.5583@8.651 FindByFormula + 1030.5583 8.651 1030.5984@7.369167 "(1051.095, 515.07)(516.3076, 4330.515)(516.8086, 1933.01)(517.30005, 1278.555)(517.8096, 167.94)(538.28906, 1306.065)(538.7921, 1008.385)(1031.6063, 5668.375)(1032.6058, 2868.85)(1033.598, 1355.73)(527.2992, 906.43)(527.8034, 330.336)(1069.5648, 974.64)(1070.5677, 687.65)(1053.5881, 7947.1826)(1054.5936, 4709.778)(1055.5885, 2272.2332)(1056.5916, 372.46)" 1030.5984@7.369167 FindByFormula + 1030.5984 7.369167 1030.5989@13.276749 "(516.30536, 2181.5725)(516.8135, 344.63748)(517.30786, 727.36755)(517.8044, 84.36)(518.3195, 269.02)" 1030.5989@13.276749 FindByFormula + 1030.5989 13.276749 1030.6012@7.337267 "(1029.5988, 4252.343)(1030.6007, 2396.4111)(1031.6019, 853.81195)(1032.6023, 231.22923)" 1030.6012@7.337267 FindByFormula - 1030.6012 7.337267 1030.6842@26.4784 "(1031.6927, 2338.812)(1032.6967, 1146.2139)(1033.7089, 1111.4401)" 1030.6842@26.4784 FindByFormula + 1030.6842 26.4784 1030.6858@25.113 "(1031.6951, 1107.48)(1032.6927, 334.31332)" 1030.6858@25.113 FindByFormula + 1030.6858 25.113 1031.8456@1.9805 "(1032.8588, 15034.73)(1033.8624, 5175.955)(1034.8604, 1359.96)(1035.8687, 391.54)" 1031.8456@1.9805 FindByFormula + 1031.8456 1.9805 1032.566@6.873 "(1031.5568, 1127.9349)(1032.5618, 686.18)" 1032.566@6.873 FindByFormula - 1032.566 6.873 1032.587@7.9476666 "(517.2992, 1728.82)(517.7959, 112.1)(518.2943, 1054.02)(539.2825, 4939.635)(539.7799, 415.77502)" 1032.587@7.9476666 FindByFormula + 1032.587 7.9476666 1032.7109@24.006752 "(1033.7192, 2991.1475)(1034.7246, 1859.6802)(1035.7384, 967.5)" 1032.7109@24.006752 FindByFormula + 1032.7109 24.006752 1033.623@1.4595001 "(1034.6326, 1068.805)(1035.6317, 899.12)(1056.6077, 1300.53)(1057.6156, 900.35)" 1033.623@1.4595001 FindByFormula + 1033.623 1.4595001 1034.6301@15.9615 "(1035.6392, 715.45996)(1036.6387, 499.725)" 1034.6301@15.9615 FindByFormula + 1034.6301 15.9615 1034.6357@16.301498 "(1035.6411, 21091.977)(1036.6438, 12139.582)(1037.6447, 4149.7695)(1038.6355, 1064.0632)(1039.6315, 508.47144)" 1034.6357@16.301498 FindByFormula + 1034.6357 16.301498 1035.7574@25.412 "(1036.766, 3961.6902)(1037.773, 1942.1234)(1038.7628, 555.43335)" 1035.7574@25.412 FindByFormula + 1035.7574 25.412 1036.3123@14.70125 "(1037.3248, 1531.6176)(1038.3256, 962.5375)" 1036.3123@14.70125 FindByFormula + 1036.3123 14.70125 1037.5236@7.2599998 "(1036.5115, 1757.2181)(1037.5125, 978.826)(1038.5148, 374.51797)" 1037.5236@7.2599998 FindByFormula - 1037.5236 7.2599998 1038.2125@7.223 "(1039.2178, 1938.53)(1040.23, 916.33997)" 1038.2125@7.223 FindByFormula + 1038.2125 7.223 1038.4655@13.681 "(1039.47, 2151.495)(1040.4736, 1663.585)" 1038.4655@13.681 FindByFormula + 1038.4655 13.681 1038.6581@14.10975 "(1039.6663, 3843.685)(1040.6698, 2206.0776)(1041.6644, 619.61)(1042.6877, 319.57)" 1038.6581@14.10975 FindByFormula + 1038.6581 14.10975 1038.6641@14.044858 "(520.33966, 4361.087)(520.8249, 549.31665)(521.3422, 1291.82)(1039.6696, 3371.356)(1040.6754, 1992.0481)(1041.6694, 669.9825)(1042.6635, 197.21)" 1038.6641@14.044858 FindByFormula + 1038.6641 14.044858 1038.9207@4.49175 "(1039.9296, 6866.2974)(1040.9333, 2631.3276)(1041.934, 544.5275)(1061.9052, 737.92334)" 1038.9207@4.49175 FindByFormula + 1038.9207 4.49175 1038.925@4.655 "(1039.9308, 4767.653)(1040.9323, 1898.0634)(1041.9282, 530.51666)" 1038.925@4.655 FindByFormula + 1038.925 4.655 1039.5924@7.5962353 "(1062.576, 3351.655)(1063.0918, 896.265)(1063.5774, 1868.725)(520.8086, 37782.676)(521.3071, 22179.387)(521.81067, 7820.1436)(522.30853, 2090.1523)(522.80664, 1065.48)(558.75946, 633.31)(559.2561, 314.08)(559.75903, 150.055)(542.79156, 1262.9757)(543.2958, 673.94855)(543.7984, 547.08)(1040.6011, 29276.682)(1041.6013, 16734.033)(1042.598, 5912.997)(1043.5948, 1501.139)(539.78406, 2357.134)(540.2831, 874.67596)(540.79065, 374.64716)(531.7983, 2803.0063)(532.2932, 2212.3584)(532.7954, 769.12744)(533.29395, 194.35999)(1078.5558, 3200.135)(1079.5543, 1999.72)(1080.5546, 951.6501)(550.7769, 1454.842)(551.275, 584.948)(551.7762, 416.608)(1062.5793, 10565.674)(1063.5735, 5809.0254)(1064.572, 3012.4648)(1065.568, 803.372)" 1039.5924@7.5962353 FindByFormula + 1039.5924 7.5962353 1039.6154@7.5803337 "(520.8167, 99697.54)(521.31683, 58724.906)(521.8197, 21286.225)(522.3163, 13168.22)(522.8111, 2699.37)(542.8022, 4263.49)(543.3115, 1744.53)(543.8098, 1391.95)(1040.6207, 82922.05)(1041.6171, 47016.324)(1042.6127, 21829.29)(1043.5892, 3437.87)(539.7979, 8892.08)(540.2976, 3471.17)(540.8033, 954.17)(531.8073, 15696.77)(532.306, 12639.0)(532.8042, 3707.26)(533.2982, 1245.75)(1078.5725, 3287.56)(1079.5616, 241.2)" 1039.6154@7.5803337 FindByFormula + 1039.6154 7.5803337 104.1027@15.4304 "(105.11076, 2895.1921)(106.111435, 423.33798)" 104.1027@15.4304 FindByFormula + 104.1027 15.4304 104.1033@15.418876 "(105.110695, 3323.394)(106.11132, 500.5275)" 104.1033@15.418876 FindByFormula + 104.1033 15.418876 104.1035@14.787527 "(105.11078, 7777.9077)(106.11261, 893.06415)" 104.1035@14.787527 FindByFormula + 104.1035 14.787527 104.1037@14.786251 "(105.11084, 7690.267)(106.11269, 915.9244)" 104.1037@14.786251 FindByFormula + 104.1037 14.786251 104.9462@26.087543 "(105.95352, 16192.775)(106.954445, 406.95178)" 104.9462@26.087543 FindByFormula + 104.9462 26.087543 104.9464@26.041332 "(105.95353, 15063.478)(106.954605, 376.87048)" 104.9464@26.041332 FindByFormula + 104.9464 26.041332 104.9465@25.59225 "(105.95372, 10490.647)(106.95288, 312.85248)" 104.9465@25.59225 FindByFormula + 104.9465 25.59225 104.9467@25.5956 "(105.95361, 11488.472)(106.95314, 379.47797)" 104.9467@25.5956 FindByFormula + 104.9467 25.5956 1040.2644@1.9475 "(1041.274, 1509.77)(1042.2699, 1380.45)(1043.2802, 900.29)(1079.2188, 503.96)(1063.2625, 1156.5349)(1064.2725, 1031.7151)(1065.2362, 699.41)" 1040.2644@1.9475 FindByFormula + 1040.2644 1.9475 1040.7167@25.4455 "(1041.7253, 14287.997)(1042.7292, 8614.888)(1043.7148, 3101.2874)(1044.7069, 1032.47)" 1040.7167@25.4455 FindByFormula + 1040.7167 25.4455 1041.7914@26.578 "(1042.7922, 2235.65)(1043.7875, 1538.235)(1044.7974, 1239.185)" 1041.7914@26.578 FindByFormula + 1041.7914 26.578 1042.6685@25.190401 "(1043.6775, 4274.634)(1044.6783, 2801.384)(1045.678, 1191.7219)(1046.674, 583.26)" 1042.6685@25.190401 FindByFormula + 1042.6685 25.190401 1042.6882@26.4285 "(1043.6998, 5430.3833)(1044.7015, 3256.91)(1045.6945, 2207.7751)(1046.6849, 693.98)" 1042.6882@26.4285 FindByFormula + 1042.6882 26.4285 1042.6904@26.454664 "(1043.6996, 4557.561)(1044.701, 2952.2817)(1045.6938, 1738.596)(1046.6808, 565.62286)" 1042.6904@26.454664 FindByFormula + 1042.6904 26.454664 1043.6912@26.413002 "(1044.7019, 3651.2178)(1045.6963, 1753.8724)(1046.6775, 806.78)" 1043.6912@26.413002 FindByFormula + 1043.6912 26.413002 1046.5562@6.736 "(524.28613, 3920.73)(524.7882, 2079.9102)(525.28564, 985.92)(525.7831, 320.06)(1047.5659, 5877.685)(1048.5618, 2506.13)(1049.5579, 557.85004)(1069.5417, 2438.97)(1070.5477, 1347.925)(1071.5613, 590.505)" 1046.5562@6.736 FindByFormula + 1046.5562 6.736 1050.5989@14.811076 "(526.30475, 10547.676)(526.8077, 6105.582)(527.308, 2401.7925)(1051.6104, 951.03)(1052.6194, 818.39)(1053.6107, 489.27)" 1050.5989@14.811076 FindByFormula + 1050.5989 14.811076 1050.6053@16.3275 "(1051.615, 2332.945)(1052.6167, 1596.895)(1053.6199, 648.29004)" 1050.6053@16.3275 FindByFormula + 1050.6053 16.3275 1051.0662@7.126 "(1052.0535, 1422.55)(1052.555, 1602.8)(1053.0411, 1039.47)(526.54236, 3487.7751)(527.0419, 1968.63)(527.5382, 347.21)(1052.0721, 3626.18)(1053.0647, 779.95)(1054.055, 822.85)(1074.0468, 966.09)(1075.058, 786.65)" 1051.0662@7.126 FindByFormula + 1051.0662 7.126 1052.5796@7.3513336 "(527.2994, 1631.6266)(527.8023, 441.33334)(528.2933, 71.0)(1053.5928, 7605.3535)(1054.5948, 4651.5366)(1055.5895, 1355.81)(1075.5703, 11443.52)(1076.5696, 7233.755)(1077.5735, 2566.605)(1078.5795, 189.0)" 1052.5796@7.3513336 FindByFormula + 1052.5796 7.3513336 1052.596@8.699166 "(527.3053, 694.33997)(527.8066, 361.13)(1053.6013, 62603.676)(1054.6058, 33246.406)(1055.6061, 12029.351)(1056.6013, 3309.0422)(1057.6027, 1025.86)(538.30237, 4399.6777)(538.8019, 1958.8625)(539.2984, 673.89996)(539.80396, 444.775)(1092.5697, 529.53)" 1052.596@8.699166 FindByFormula + 1052.596 8.699166 1055.4631@14.772334 "(1056.4714, 1210.7001)(1057.4786, 666.57)(1058.4915, 613.71)(1078.4592, 3102.83)(1079.458, 1666.2466)(1080.4718, 755.48334)" 1055.4631@14.772334 FindByFormula + 1055.4631 14.772334 1056.5806@12.6 "(1057.5865, 1228.06)(1058.5962, 663.205)(1059.5913, 603.275)" 1056.5806@12.6 FindByFormula + 1056.5806 12.6 1056.6533@23.410667 "(1057.6617, 1467.2399)(1058.66, 1018.6066)" 1056.6533@23.410667 FindByFormula + 1056.6533 23.410667 1056.6719@24.089363 "(1057.6792, 4619.4595)(1058.6821, 2897.2908)(1059.6805, 1470.7472)(1060.6714, 538.565)" 1056.6719@24.089363 FindByFormula + 1056.6719 24.089363 1056.6738@24.0667 "(1057.679, 5200.285)(1058.6825, 3259.363)(1059.6808, 1574.763)(1060.6683, 550.7775)" 1056.6738@24.0667 FindByFormula + 1056.6738 24.0667 1058.6426@14.807 "(1059.6489, 3409.91)(1060.6517, 2361.735)(1061.6522, 1400.275)(1097.6091, 20390.3)(1098.6138, 11552.936)(1099.6178, 4835.895)(1100.606, 1127.135)" 1058.6426@14.807 FindByFormula + 1058.6426 14.807 1058.6685@26.472 "(1059.6716, 1330.87)(1060.674, 790.74)(1061.678, 540.62)" 1058.6685@26.472 FindByFormula + 1058.6685 26.472 1059.2198@1.9333334 "(1060.2384, 1581.82)(1061.2516, 1132.2467)(1062.232, 1075.5)(1082.2335, 1165.78)(1083.2465, 683.79)" 1059.2198@1.9333334 FindByFormula + 1059.2198 1.9333334 1061.4897@14.7725 "(1062.4924, 5176.532)(1063.4967, 3016.5203)(1064.4963, 1183.3225)(1065.4924, 483.15)(1084.4764, 1312.595)(1085.4857, 937.83997)(1086.4757, 432.74667)" 1061.4897@14.7725 FindByFormula + 1061.4897 14.7725 1061.5828@7.5982313 "(1060.5659, 1987.1146)(1061.5677, 1112.0569)(1062.5751, 510.28)(1063.5724, 165.075)" 1061.5828@7.5982313 FindByFormula - 1061.5828 7.5982313 1062.2708@1.4955001 "(1085.2428, 400.515)(1086.2408, 409.845)" 1062.2708@1.4955001 FindByFormula + 1062.2708 1.4955001 1062.6589@14.115 "(1063.6624, 2332.6602)(1064.6713, 1950.635)(1065.6664, 396.275)" 1062.6589@14.115 FindByFormula + 1062.6589 14.115 1063.6082@6.973 "(1062.6, 2189.705)(1063.5995, 1224.365)" 1063.6082@6.973 FindByFormula - 1063.6082 6.973 1063.8702@9.9215 "(1064.8767, 6367.7197)(1065.8855, 1239.3049)(1066.8801, 6512.8896)" 1063.8702@9.9215 FindByFormula + 1063.8702 9.9215 1064.3757@9.981501 "(1065.3828, 4414.685)(1066.3743, 860.31006)(1067.3759, 7262.04)(1068.3667, 2172.915)(1069.377, 1889.145)" 1064.3757@9.981501 FindByFormula + 1064.3757 9.981501 1064.4803@22.012001 "(1065.4933, 2467.6875)(1066.4924, 1266.5276)(1067.5013, 770.3675)(1068.4996, 466.41998)(1087.4708, 262.45334)" 1064.4803@22.012001 FindByFormula + 1064.4803 22.012001 1064.6775@15.3955 "(1065.6808, 195979.58)(1066.684, 117747.18)(1067.6886, 40002.99)(1068.6838, 10979.624)(1069.6859, 6474.295)" 1064.6775@15.3955 FindByFormula + 1064.6775 15.3955 1066.5023@26.575998 "(1067.503, 2233.2622)(1068.5046, 1233.8301)(1069.5127, 674.65204)" 1066.5023@26.575998 FindByFormula + 1066.5023 26.575998 1066.5739@8.35 "(1067.5803, 13740.25)(1068.5845, 7482.4897)(1069.5818, 2840.01)(1070.56, 1034.185)" 1066.5739@8.35 FindByFormula + 1066.5739 8.35 1068.5604@8.769 "(1067.5568, 2242.28)(1068.5599, 1454.7567)(1069.564, 444.87003)" 1068.5604@8.769 FindByFormula - 1068.5604 8.769 1069.1113@7.97475 "(1070.3612, 5387.0547)(1070.8557, 5305.635)(1071.3558, 2499.0352)(1081.1127, 2249.7)(1081.5869, 1777.75)(1082.101, 1346.36)(535.5674, 6212.4453)(536.0667, 4663.2275)(536.5687, 996.7225)(1070.1162, 2274.4534)" 1069.1113@7.97475 FindByFormula + 1069.1113 7.97475 1069.6176@7.9985 "(535.8178, 7474.125)(536.3136, 2547.1099)(536.81067, 395.475)" 1069.6176@7.9985 FindByFormula + 1069.6176 7.9985 1069.6311@8.679 "(535.822, 3107.8699)(536.31555, 1819.27)" 1069.6311@8.679 FindByFormula + 1069.6311 8.679 1069.6418@7.757 "(1081.631, 541.13)(1082.1425, 457.49)(535.8252, 11215.48)(536.3214, 4623.46)(536.8214, 544.37)" 1069.6418@7.757 FindByFormula + 1069.6418 7.757 1069.8345@8.535 "(1070.8424, 10855.925)(1071.8525, 3786.76)(1092.8293, 696.41)(1093.8278, 672.27)" 1069.8345@8.535 FindByFormula + 1069.8345 8.535 1069.9412@9.5615 "(1070.9519, 5688.785)(1071.9495, 5158.67)" 1069.9412@9.5615 FindByFormula + 1069.9412 9.5615 1070.5897@15.312 "(1071.5927, 2971.4502)(1072.5953, 2086.545)" 1070.5897@15.312 FindByFormula + 1070.5897 15.312 1070.6051@14.782249 "(1071.6083, 4037.2476)(1072.6108, 2135.07)(1073.6115, 1754.3475)" 1070.6051@14.782249 FindByFormula + 1070.6051 14.782249 1070.6077@8.535333 "(1069.5944, 3385.36)(1070.5951, 1947.89)(1071.5962, 651.96)" 1070.6077@8.535333 FindByFormula - 1070.6077 8.535333 1073.5939@7.7355 "(1072.5894, 2248.73)(1073.5908, 1340.195)(1074.5912, 494.815)" 1073.5939@7.7355 FindByFormula - 1073.5939 7.7355 1074.5928@8.713 "(538.29877, 7207.7397)(538.803, 4048.1526)(539.30286, 2180.015)(539.80096, 671.755)" 1074.5928@8.713 FindByFormula + 1074.5928 8.713 1074.614@14.789084 "(1075.6226, 22369.197)(1076.6249, 12081.0)(1077.6251, 4216.296)(1078.6218, 1960.8967)(1113.5812, 1704.9414)(1114.5891, 990.88574)(1097.6031, 8349.34)(1098.6082, 4577.8633)(1099.6053, 1865.5073)" 1074.614@14.789084 FindByFormula + 1074.614 14.789084 1075.0583@7.4068336 "(538.539, 5232.348)(539.04034, 3727.6533)(539.5393, 878.76996)(540.03845, 141.2875)(1076.0531, 2238.88)(1077.0667, 1380.255)(1078.0629, 329.0)(1114.0049, 996.98)" 1075.0583@7.4068336 FindByFormula + 1075.0583 7.4068336 1075.0856@7.3915 "(538.5559, 6716.7476)(539.0543, 5188.92)(539.55414, 1325.855)(540.0654, 125.365)(1076.0885, 3778.635)(1077.0946, 2890.02)(1098.0818, 626.61)" 1075.0856@7.3915 FindByFormula + 1075.0856 7.3915 1075.2142@1.9353333 "(1076.2095, 897.4001)(1077.2085, 685.49664)(1078.2168, 595.98)" 1075.2142@1.9353333 FindByFormula + 1075.2142 1.9353333 1075.571@7.3745 "(1076.5686, 3978.77)(1077.0667, 1254.865)(538.79553, 7783.765)(539.29333, 2991.9)(539.7953, 583.63)(540.2987, 175.27)" 1075.571@7.3745 FindByFormula + 1075.571 7.3745 1076.0789@7.389 "(539.0449, 5069.6504)(539.54834, 1014.64)" 1076.0789@7.389 FindByFormula + 1076.0789 7.389 1076.5562@2.6943333 "(539.2863, 4267.29)(539.7852, 2923.55)(540.2827, 969.75)(550.27625, 1849.9102)(550.77985, 1183.9601)" 1076.5562@2.6943333 FindByFormula + 1076.5562 2.6943333 1077.4521@14.7915 "(1078.4572, 4298.6475)(1079.4589, 1865.3175)(1080.4667, 1041.5175)(1081.4751, 218.86499)" 1077.4521@14.7915 FindByFormula + 1077.4521 14.7915 1077.5406@7.606 "(1078.5464, 2229.685)(1079.551, 1410.165)(1080.5416, 439.495)" 1077.5406@7.606 FindByFormula + 1077.5406 7.606 1077.563@7.602667 "(539.78485, 3223.4465)(540.2881, 1934.6602)(540.79407, 708.465)(561.7706, 451.35)(562.2678, 196.95)(1078.553, 2825.2148)(1079.5542, 1405.4651)(1080.5486, 922.15)(1081.5468, 368.79498)(558.7566, 362.51)(559.2576, 232.3)(1100.536, 4910.53)(1101.5437, 2941.09)(1102.5432, 1058.44)" 1077.563@7.602667 FindByFormula + 1077.563 7.602667 1077.5875@1.9016666 "(539.8031, 2197.95)(540.3014, 1674.3766)(540.7995, 581.1767)(1078.5874, 1284.365)(1079.582, 573.06)(1080.6006, 583.755)(550.79517, 1305.895)(551.2866, 1015.0)(551.78613, 459.185)(1100.566, 1480.4299)(1101.5645, 827.38)(1102.5696, 464.675)" 1077.5875@1.9016666 FindByFormula + 1077.5875 1.9016666 1077.5875@8.712 "(1076.5807, 5264.08)(1077.5845, 3211.5852)(1078.5833, 1062.385)" 1077.5875@8.712 FindByFormula - 1077.5875 8.712 1078.555@7.9160004 "(540.2823, 5961.705)(540.78644, 591.52)(541.2856, 1405.57)" 1078.555@7.9160004 FindByFormula + 1078.555 7.9160004 1078.5969@13.171666 "(540.3088, 1403.7666)(540.80975, 156.69666)(541.3076, 452.8567)" 1078.5969@13.171666 FindByFormula + 1078.5969 13.171666 1078.658@16.232927 "(1079.6666, 12286.392)(1080.6677, 7306.371)(1081.6687, 2634.8215)(1082.6577, 841.42944)(1083.6538, 268.55402)" 1078.658@16.232927 FindByFormula + 1078.658 16.232927 1078.7802@4.7415 "(1079.788, 1613.365)(1080.7795, 430.73502)" 1078.7802@4.7415 FindByFormula + 1078.7802 4.7415 1078.7806@4.0975 "(1079.7888, 2710.2852)(1080.7878, 926.195)(1081.7759, 537.07)(1101.7697, 831.305)(1102.7605, 123.215)" 1078.7806@4.0975 FindByFormula + 1078.7806 4.0975 1080.6279@14.784167 "(1081.6366, 56523.996)(1082.64, 32716.682)(1083.6388, 12313.974)" 1080.6279@14.784167 FindByFormula + 1080.6279 14.784167 1080.6353@14.785751 "(1081.6373, 56757.59)(1082.6396, 32765.67)(1083.6395, 12384.284)(1084.6334, 4181.334)(1085.6357, 1870.124)" 1080.6353@14.785751 FindByFormula + 1080.6353 14.785751 1080.6431@15.354 "(541.32983, 24081.406)(541.8314, 14575.29)(542.3281, 5511.52)(542.83014, 1453.4951)(1081.644, 3552.27)(552.3236, 14501.13)(552.8233, 8452.69)(553.3229, 2579.87)(553.826, 692.94)" 1080.6431@15.354 FindByFormula + 1080.6431 15.354 1081.2317@1.9514999 "(1082.2313, 3022.045)(1083.2366, 1843.6825)(1084.2291, 1144.3425)" 1081.2317@1.9514999 FindByFormula + 1081.2317 1.9514999 1081.6519@8.2565 "(1082.6652, 7497.785)(1083.6671, 5485.782)(1084.6562, 2297.67)" 1081.6519@8.2565 FindByFormula + 1081.6519 8.2565 1082.6302@13.8905 "(542.31995, 3903.8823)(542.8263, 507.02252)(543.3232, 1543.685)" 1082.6302@13.8905 FindByFormula + 1082.6302 13.8905 1082.6321@13.945666 "(542.3208, 4200.6167)(542.82855, 545.82666)(543.3237, 1689.1166)" 1082.6321@13.945666 FindByFormula + 1082.6321 13.945666 1083.4774@7.53 "(1082.4677, 944.10333)(1083.4674, 599.26337)" 1083.4774@7.53 FindByFormula - 1083.4774 7.53 1083.5596@7.6023335 "(542.79047, 1918.8267)(543.3025, 1013.1167)(543.7983, 475.92334)(1084.5573, 6942.686)(1085.5605, 4220.9966)(1086.5593, 1553.93)" 1083.5596@7.6023335 FindByFormula + 1083.5596 7.6023335 1083.6241@27.2515 "(542.81995, 800.695)(543.3218, 94.03)(543.8186, 238.07999)" 1083.6241@27.2515 FindByFormula + 1083.6241 27.2515 1084.5972@7.998667 "(543.309, 8632.727)(543.8087, 5355.033)(544.3109, 2052.84)(1085.5912, 7584.46)(1086.5957, 3470.01)(1087.5802, 2064.77)(1107.581, 2452.9)(1108.5781, 2416.84)" 1084.5972@7.998667 FindByFormula + 1084.5972 7.998667 1084.748@25.359093 "(1085.7538, 11345.031)(1086.7576, 6536.8955)(1087.7609, 2605.4163)(1088.7673, 976.1034)(1089.7511, 197.68)" 1084.748@25.359093 FindByFormula + 1084.748 25.359093 1084.9535@9.5615 "(1085.9572, 8792.88)(1086.9552, 2878.77)" 1084.9535@9.5615 FindByFormula + 1084.9535 9.5615 1087.4934@7.594667 "(1086.4835, 5438.0166)(1087.4874, 2968.1067)(1088.4889, 1459.3734)" 1087.4934@7.594667 FindByFormula - 1087.4934 7.594667 1087.5295@7.5895 "(544.7657, 5571.16)(545.2667, 3365.55)(555.7558, 9483.359)(556.261, 6333.695)(556.7633, 2933.435)" 1087.5295@7.5895 FindByFormula + 1087.5295 7.5895 1088.4786@8.75675 "(1087.4668, 1247.895)(1088.4688, 713.78)" 1088.4786@8.75675 FindByFormula - 1088.4786 8.75675 109.0015@27.149359 "(110.008934, 20798.234)(111.010315, 3419.3728)" 109.0015@27.149359 FindByFormula + 109.0015 27.149359 109.0017@27.149359 "(110.00894, 20610.797)(111.010315, 3392.8115)" 109.0017@27.149359 FindByFormula + 109.0017 27.149359 109.0018@0.232 "(110.00867, 503.47665)(111.01211, 93.32)" 109.0018@0.232 FindByFormula + 109.0018 0.232 109.0018@1.9391667 "(110.00898, 1885.2101)(111.01019, 339.585)" 109.0018@1.9391667 FindByFormula + 109.0018 1.9391667 109.0019@0.7175334 "(110.009056, 14262.717)(111.010216, 2513.6787)" 109.0019@0.7175334 FindByFormula + 109.0019 0.7175334 109.002@1.5086666 "(110.00934, 1309.68)(111.00934, 216.65666)" 109.002@1.5086666 FindByFormula + 109.002 1.5086666 109.002@28.248001 "(110.0094, 2838.865)(111.0111, 193.32)(112.0071, 32.21)" 109.002@28.248001 FindByFormula + 109.002 28.248001 109.0649@0.75325 "(110.07185, 1759.9225)(111.07158, 228.695)" 109.0649@0.75325 FindByFormula + 109.0649 0.75325 1091.5472@8.6912 "(1090.5372, 965.442)(1091.5403, 557.38196)" 1091.5472@8.6912 FindByFormula - 1091.5472 8.6912 1091.6024@1.2434286 "(546.8094, 5363.2554)(547.3107, 3896.2166)(547.811, 1303.8684)(548.3137, 259.15)(568.79095, 1473.3501)(569.29517, 1206.09)(569.7969, 960.86)(1092.6056, 8075.9756)(1093.6079, 4973.443)(1094.612, 1672.263)(1095.613, 623.925)(1096.6208, 272.71)(557.80035, 2182.5967)(558.3103, 1801.1049)(558.80365, 532.84503)(1130.5613, 1185.845)(1131.5626, 364.91998)(1132.5867, 306.72)(1114.5894, 3829.9355)(1115.5905, 2656.277)(1116.5879, 853.33997)" 1091.6024@1.2434286 FindByFormula + 1091.6024 1.2434286 1091.6025@1.2258888 "(546.80896, 4182.8)(547.31006, 3180.9639)(547.81024, 1048.755)(548.3099, 319.66)(568.789, 2748.76)(569.2915, 1793.6934)(569.79297, 941.23)(1092.602, 6609.3467)(1093.6046, 3955.8655)(1094.6101, 1568.9366)(1095.617, 318.83798)(1096.651, 120.515)(557.79974, 1877.9532)(558.3041, 1461.3202)(558.80023, 496.42496)(1130.562, 1879.5734)(1131.5692, 1400.8534)(1132.572, 836.845)(1114.5878, 3351.3665)(1115.5905, 2247.4888)(1116.5863, 883.9216)" 1091.6025@1.2258888 FindByFormula + 1091.6025 1.2258888 1091.6716@8.7595005 "(546.8441, 1631.08)(547.3459, 966.75)(1092.6731, 10197.926)(1093.6783, 6041.28)(1094.6863, 2119.85)(1095.6821, 610.14996)(557.83417, 4674.675)(558.3386, 3059.125)(558.835, 1423.52)" 1091.6716@8.7595005 FindByFormula + 1091.6716 8.7595005 1093.6196@7.2590003 "(1092.6116, 848.0999)(1093.6146, 582.8433)" 1093.6196@7.2590003 FindByFormula - 1093.6196 7.2590003 1094.5461@6.789 "(1093.5359, 1106.485)(1094.5396, 690.675)" 1094.5461@6.789 FindByFormula - 1094.5461 6.789 1094.6108@8.331667 "(1095.6132, 7499.93)(1096.632, 6334.52)(1097.6187, 3842.79)(1133.571, 2979.59)(1134.5695, 2188.97)(1117.5988, 17208.63)(1118.595, 9906.183)(1119.5894, 3064.8098)(1120.571, 471.51)" 1094.6108@8.331667 FindByFormula + 1094.6108 8.331667 1094.6172@8.31675 "(1093.6074, 3242.4248)(1094.6086, 2047.5024)(1095.6096, 720.90247)" 1094.6172@8.31675 FindByFormula - 1094.6172 8.31675 1095.937@9.268666 "(1096.9463, 27372.096)(1097.9438, 5735.58)" 1095.937@9.268666 FindByFormula + 1095.937 9.268666 1096.4664@7.4135 "(1095.4578, 937.125)(1096.4595, 543.525)" 1096.4664@7.4135 FindByFormula - 1096.4664 7.4135 1096.5916@14.7804 "(549.3065, 1946.215)(549.80743, 1067.6575)(550.29706, 1258.3976)(550.8023, 725.6867)(551.3053, 694.215)(1097.6024, 7902.733)(1098.6078, 4553.86)(1099.6089, 1880.39)(1100.606, 1004.44)(560.6321, 963.66)(560.79767, 559.8)(561.2946, 808.08997)(1119.5873, 307.55997)" 1096.5916@14.7804 FindByFormula + 1096.5916 14.7804 1096.625@8.746333 "(549.3173, 1890.8833)(549.81976, 963.4734)(550.3198, 104.12)(1097.6294, 135061.36)(1098.632, 74712.11)(1099.6343, 27527.09)(1100.6293, 9399.698)(1101.6292, 2875.69)(568.30176, 1740.23)(568.816, 729.93335)(569.3092, 990.14)" 1096.625@8.746333 FindByFormula + 1096.625 8.746333 1096.6676@16.346249 "(549.3408, 1648.4225)(549.8407, 261.22)(550.341, 645.5775)" 1096.6676@16.346249 FindByFormula + 1096.6676 16.346249 1099.2217@9.2515 "(1100.2269, 17194.71)(1101.2181, 3223.19)(1102.222, 5583.505)" 1099.2217@9.2515 FindByFormula + 1099.2217 9.2515 1099.5631@8.695333 "(551.29175, 730.14496)(551.7861, 327.31)(1100.5746, 18385.15)(1101.5721, 9240.933)(1102.5687, 2522.0532)(1122.5568, 13949.257)(1123.5563, 6789.5864)(1124.5618, 2151.57)" 1099.5631@8.695333 FindByFormula + 1099.5631 8.695333 1099.6129@6.8345003 "(1100.6115, 1715.845)(1101.1218, 2461.505)(1101.6023, 984.73)(1122.602, 1767.54)(1123.1084, 2372.67)(1123.6003, 1501.9)(1124.1046, 517.05)(550.81824, 5290.7)(551.31964, 3670.2651)(551.811, 688.6)" 1099.6129@6.8345003 FindByFormula + 1099.6129 6.8345003 10-Deacetylbaccatin III "10-Deacetylbaccatin III [ C29 H36 O10, db=90.13, tgt=, overall=90.13, CAS ID=32981-86-5, KEGG ID=C11700, METLIN ID=84946 ]" 32981-86-5 "(1096.0637, 476.63794)(1096.9652, 434.02252)(1097.4746, 824.30493)(529.25977, 1336.6891)(530.263, 735.9022)(531.26276, 443.81128)(567.22174, 6335.762)(568.2251, 1840.2865)(569.2217, 481.41672)(551.2465, 1805.0569)(552.2467, 686.86395)(553.242, 677.92)(554.25165, 191.99666)" 10-Deacetylbaccatin III FindByFormula + C11700 528.2574 13.646918 10-Deacetylbaccatin III + 13.414666 "10-Deacetylbaccatin III [ C29 H36 O10, db=74.40, tgt=, overall=74.40, CAS ID=32981-86-5, KEGG ID=C11700, METLIN ID=84946 ]" 32981-86-5 "(567.2214, 4781.453)(568.22473, 1438.32)" 10-Deacetylbaccatin III + 13.414666 FindByFormula + C11700 566.2136 13.414666 10-Deacetylbaccatin III + 13.5805 "10-Deacetylbaccatin III [ C29 H36 O10, mfg=80.23, db=80.19, tgt=, overall=80.21, CAS ID=32981-86-5, KEGG ID=C11700, METLIN ID=84946 ]" 32981-86-5 "(1111.4443, 852.9463)(545.2363, 7586.826)(546.23895, 2609.4375)(547.2399, 1079.6963)(583.193, 460.51334)(567.221, 6275.3145)(568.2247, 1806.8773)(569.2234, 344.47748)" 10-Deacetylbaccatin III + 13.5805 FindByFormula + C11700 544.2314 13.5805 10-Hydroxymorroniside "10-Hydroxymorroniside [ C17 H26 O12, db=85.16, tgt=, overall=85.16, KEGG ID=C11660, METLIN ID=69148 ]" "(423.1481, 8745.535)(424.1575, 1996.8899)(425.1536, 199.14)" 10-Hydroxymorroniside FindByFormula + C11660 422.142 1.0585 10-oxo-nonadecanoic acid "10-oxo-nonadecanoic acid [ C19 H36 O3, db=76.86, tgt=, overall=76.86, Lipid ID=LMFA01060128, METLIN ID=74766 ]" "(313.27267, 3330.9434)(314.2773, 853.9634)" 10-oxo-nonadecanoic acid FindByFormula + LMFA01060128 312.2649 14.521335 "11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide" "11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide [ C22 H30 O6, db=80.89, tgt=, overall=80.89, CAS ID=197649-68-6, HMP ID=HMDB31933, METLIN ID=88047 ]" 197649-68-6 "(391.2108, 4207.996)(392.21356, 1019.4279)(429.1721, 69.9)" "11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide" FindByFormula HMDB31933 + 390.2048 9.0538 "11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide + 9.948334" "11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide [ C22 H30 O6, db=79.88, tgt=, overall=79.88, CAS ID=197649-68-6, HMP ID=HMDB31933, METLIN ID=88047 ]" 197649-68-6 "(391.21033, 3397.49)(392.2142, 819.00665)" "11,12-Dihydroxy-7,14-dimethoxy-8,11,13-abietatrien-20,6-olide + 9.948334" FindByFormula HMDB31933 + 390.2014 9.948334 "11,19,23-Trimethylheptatriacontane" "11,19,23-Trimethylheptatriacontane [ C40 H82, db=0.00, tgt=, overall=0.00, Lipid ID=LMFA11000202, METLIN ID=97614 ]" "(563.6487, 905.85)(564.1556, 661.21497)" "11,19,23-Trimethylheptatriacontane" FindByFormula + LMFA11000202 1125.2847 1.2795 1100.1263@6.8188004 "(551.0715, 4060.9175)(551.5707, 1531.355)(552.06665, 372.91498)(581.045, 385.3)(581.5452, 289.25)" 1100.1263@6.8188004 FindByFormula + 1100.1263 6.8188004 1100.6304@7.6370006 "(1099.6232, 2914.5198)(1100.626, 1839.5717)(1101.6249, 806.0999)" 1100.6304@7.6370006 FindByFormula - 1100.6304 7.6370006 1100.7408@22.51125 "(1101.7457, 6335.568)(1102.7466, 3441.1475)(1103.7482, 1577.895)(1104.7401, 545.2767)" 1100.7408@22.51125 FindByFormula + 1100.7408 22.51125 1101.7869@9.2685 "(1102.7922, 8108.6)(1103.7935, 4140.9)(1104.7947, 878.08997)" 1101.7869@9.2685 FindByFormula + 1101.7869 9.2685 1102.7135@18.152 "(1103.7227, 3535.495)(1104.7253, 2249.7249)(1105.7295, 865.9)" 1102.7135@18.152 FindByFormula + 1102.7135 18.152 1104.6368@7.7215 "(1105.6383, 5863.14)(1106.6372, 3460.84)(1107.6116, 5481.07)(1127.6235, 10683.67)(1128.6232, 6962.705)(1129.6317, 5223.21)" 1104.6368@7.7215 FindByFormula + 1104.6368 7.7215 1105.5477@7.60575 "(553.78253, 1645.6768)(554.27997, 857.63995)(554.78564, 260.10333)(1106.5522, 4139.148)(1107.5544, 2254.3025)(1108.559, 783.785)" 1105.5477@7.60575 FindByFormula + 1105.5477 7.60575 1105.651@7.6725 "(1104.643, 1321.4199)(1105.6461, 840.94)(1106.6466, 298.99)" 1105.651@7.6725 FindByFormula - 1105.651 7.6725 1106.5626@8.778 "(554.2938, 1423.8999)(554.79736, 314.05)(555.282, 130.07)" 1106.5626@8.778 FindByFormula + 1106.5626 8.778 1108.2633@1.88 "(1109.2677, 836.865)(1110.2499, 843.47)(1131.2526, 737.375)(1132.2676, 723.045)" 1108.2633@1.88 FindByFormula + 1108.2633 1.88 1108.5924@6.8732004 "(1107.5851, 901.42804)(1108.5868, 511.55)" 1108.5924@6.8732004 FindByFormula - 1108.5924 6.8732004 1109.6162@8.842 "(1108.6115, 814.82495)(1109.612, 528.88)" 1109.6162@8.842 FindByFormula - 1109.6162 8.842 1109.7771@26.552666 "(1110.7865, 1597.3966)(1111.7877, 523.31665)(1112.7894, 471.71335)(1148.7329, 435.465)" 1109.7771@26.552666 FindByFormula + 1109.7771 26.552666 111.0@27.188889 "(112.00687, 3553.5286)(113.006516, 226.01001)" 111.0@27.188889 FindByFormula + 111 27.188889 111.0004@27.8475 "(112.00685, 814.8)(113.00895, 58.559998)" 111.0004@27.8475 FindByFormula + 111.0004 27.8475 1110.3274@1.9271429 "(1133.3221, 1405.34)(1133.8322, 637.25)(556.1698, 4505.5757)(556.6711, 567.16284)(557.16943, 1921.637)(557.6678, 221.642)(558.1706, 867.38605)(575.1511, 1933.9071)(575.6493, 1083.8914)(576.14905, 1010.6115)(567.1624, 1701.8368)(567.66254, 1138.6766)(568.162, 767.41)(568.6616, 179.46834)(1149.2896, 2139.0461)(1150.2803, 1747.3279)(1151.2714, 1259.685)(1133.3113, 1457.5759)(1134.3127, 921.7479)(1135.3103, 785.146)" 1110.3274@1.9271429 FindByFormula + 1110.3274 1.9271429 1110.597@8.39 "(1111.6031, 1933.65)(1112.0905, 375.75)(1112.5956, 1319.33)(1111.6045, 12584.15)(1112.6089, 6592.98)(1113.6156, 3975.78)(1114.5972, 963.24)" 1110.597@8.39 FindByFormula + 1110.597 8.39 1111.7604@9.736667 "(1112.7709, 23057.252)(1113.7744, 10638.563)(1114.7705, 9805.903)" 1111.7604@9.736667 FindByFormula + 1111.7604 9.736667 1111.893@9.733 "(1112.9004, 23626.975)(1113.8965, 10057.12)(1114.8965, 11175.155)" 1111.893@9.733 FindByFormula + 1111.893 9.733 1112.5734@14.763001 "(557.2924, 5451.963)(557.7946, 2922.395)(558.29266, 1358.3949)(558.799, 189.676)(1113.5856, 3501.1497)(1114.5826, 1046.2633)(1115.5884, 705.56)" 1112.5734@14.763001 FindByFormula + 1112.5734 14.763001 1112.8407@26.476715 "(1113.8483, 3429.68)(1114.8514, 2302.2957)(1115.8527, 984.5287)(1116.8494, 248.68999)(1151.7886, 181.975)" 1112.8407@26.476715 FindByFormula + 1112.8407 26.476715 1112.8419@24.074999 "(1113.8478, 2700.505)(1114.8496, 2122.615)(1115.8508, 860.1516)(1116.8463, 222.595)" 1112.8419@24.074999 FindByFormula + 1112.8419 24.074999 1112.845@24.861801 "(1113.8506, 1398.72)(1114.8516, 949.36)(1115.8514, 550.276)(1116.8499, 124.36)" 1112.845@24.861801 FindByFormula + 1112.845 24.861801 1113.5782@1.254 "(557.80145, 1551.8666)(558.3055, 1191.8168)(1114.5865, 4564.1167)(1115.5889, 2965.7334)(1116.5933, 1261.1217)(1117.5808, 374.97)(1136.5728, 791.26196)(1137.5765, 732.18506)" 1113.5782@1.254 FindByFormula + 1113.5782 1.254 1113.8798@6.4449997 "(557.94763, 1168.275)(558.4475, 857.33)" 1113.8798@6.4449997 FindByFormula + 1113.8798 6.4449997 1115.2518@8.23 "(1116.2632, 1449.885)(1117.2513, 1418.645)" 1115.2518@8.23 FindByFormula + 1115.2518 8.23 1117.0416@7.4266663 "(1118.0475, 3550.2468)(1119.0513, 1774.0101)" 1117.0416@7.4266663 FindByFormula + 1117.0416 7.4266663 1117.3306@1.919 "(1118.3376, 2065.78)(1119.323, 1733.8)(1120.3171, 854.25)" 1117.3306@1.919 FindByFormula + 1117.3306 1.919 1118.612@8.777 "(560.3128, 20616.406)(560.81366, 11736.403)(561.31683, 4417.7065)(561.8152, 1187.8934)(562.32166, 589.445)(1119.6404, 640.97)" 1118.612@8.777 FindByFormula + 1118.612 8.777 1119.5977@6.9005003 "(1118.589, 1141.0226)(1119.5928, 776.795)" 1119.5977@6.9005003 FindByFormula - 1119.5977 6.9005003 1121.4946@22.024332 "(1122.5046, 1147.97)(1123.4996, 740.17)(1124.5072, 362.09668)" 1121.4946@22.024332 FindByFormula + 1121.4946 22.024332 1121.5498@1.8025 "(1122.5511, 1393.675)(1123.5457, 738.54)(1160.5088, 786.79504)(1161.5161, 402.065)(1144.5449, 2801.52)(1145.5427, 2272.085)(1146.544, 1410.54)" 1121.5498@1.8025 FindByFormula + 1121.5498 1.8025 1122.6813@14.5365 "(1123.688, 775.705)(1124.69, 650.565)" 1122.6813@14.5365 FindByFormula + 1122.6813 14.5365 1122.6857@16.151644 "(1123.6926, 6388.9976)(1124.6921, 4127.961)(1125.6945, 1545.3224)(1126.6901, 529.92395)" 1122.6857@16.151644 FindByFormula + 1122.6857 16.151644 1123.454@14.808999 "(1124.4631, 688.3)(1125.4572, 720.69)(1126.4465, 399.11)(1146.4451, 2991.6133)(1147.4503, 1459.2999)(1148.4536, 559.25336)(1149.4357, 189.67668)" 1123.454@14.808999 FindByFormula + 1123.454 14.808999 1123.8328@8.004 "(1124.8381, 15540.944)(1125.8513, 3840.6)(1126.8624, 879.69)" 1123.8328@8.004 FindByFormula + 1123.8328 8.004 1125.7494@1.984 "(1126.7571, 249.64)(1127.7498, 258.405)" 1125.7494@1.984 FindByFormula + 1125.7494 1.984 1126.6274@7.686429 "(562.3036, 546.056)(562.8086, 374.20197)(1125.6213, 1856.5602)(1126.624, 1125.7914)(1127.6212, 424.11002)" 1126.6274@7.686429 FindByFormula - 1126.6274 7.686429 1126.6324@7.680818 "(1166.4282, 943.51666)(1166.6001, 107.4)(1157.5869, 156.89)(1158.0846, 57.08)(564.32263, 19715.562)(564.8233, 12232.171)(565.31854, 4750.134)(565.81934, 1600.1832)(586.3101, 1217.126)(586.8085, 759.07996)(587.3071, 220.88)(1127.6305, 12715.082)(1128.6285, 7549.645)(1129.6313, 3352.4417)(1130.6272, 1112.974)(583.30035, 1045.29)(583.808, 455.71503)(584.30176, 126.450005)(575.3158, 2454.9885)(575.8172, 1266.355)(576.3072, 783.624)(576.80634, 427.45334)(1165.5848, 704.37)(1166.5947, 229.97)(594.29785, 1549.9067)(594.7989, 657.9666)(1149.606, 3266.674)(1150.5978, 1786.3821)(1151.5919, 841.05664)" 1126.6324@7.680818 FindByFormula + 1126.6324 7.680818 1126.8229@23.9895 "(1127.8279, 5325.005)(1128.831, 3918.005)(1129.8345, 2076.05)(1130.8354, 361.555)" 1126.8229@23.9895 FindByFormula + 1126.8229 23.9895 1127.2953@1.9549999 "(564.6568, 1111.03)(565.16534, 1020.58496)" 1127.2953@1.9549999 FindByFormula + 1127.2953 1.9549999 1127.32@1.8995 "(564.6589, 893.41003)(565.1771, 867.89)" 1127.32@1.8995 FindByFormula + 1127.32 1.8995 1127.5673@1.9263334 "(564.79224, 1832.0)(565.2959, 1195.9933)(565.79315, 668.5867)(586.7722, 1088.685)(587.28503, 1082.905)(587.7781, 653.65)(575.7863, 1882.59)(576.28467, 1221.6067)(576.7802, 529.97003)" 1127.5673@1.9263334 FindByFormula + 1127.5673 1.9263334 1127.8958@9.804501 "(1128.9033, 10031.65)(1129.9084, 2020.4751)" 1127.8958@9.804501 FindByFormula + 1127.8958 9.804501 1128.7692@25.298859 "(1129.7798, 11480.703)(1130.783, 7104.9204)(1131.7834, 2885.533)(1132.7803, 1096.31)" 1128.7692@25.298859 FindByFormula + 1128.7692 25.298859 1129.4722@14.7965 "(1130.4678, 1751.5801)(1131.477, 995.145)(1132.4773, 663.505)" 1129.4722@14.7965 FindByFormula + 1129.4722 14.7965 1129.7743@25.264 "(1130.7834, 1291.1799)(1131.8013, 631.635)" 1129.7743@25.264 FindByFormula + 1129.7743 25.264 113.1203@21.741667 "(114.1276, 864.4567)(115.13147, 79.69666)" 113.1203@21.741667 FindByFormula + 113.1203 21.741667 1130.8484@23.987 "(1131.8563, 4034.7803)(1132.8623, 2536.5151)(1133.8567, 1193.75)(1134.8527, 503.58002)(1153.8324, 471.445)(1154.8315, 576.17)" 1130.8484@23.987 FindByFormula + 1130.8484 23.987 1131.6335@7.8448 "(1130.6234, 952.262)(1131.6182, 714.1141)" 1131.6335@7.8448 FindByFormula - 1131.6335 7.8448 1134.4819@26.552332 "(1135.4879, 1453.7267)(1136.4935, 605.74664)(1137.4956, 559.52997)" 1134.4819@26.552332 FindByFormula + 1134.4819 26.552332 1137.5577@1.2839999 "(1160.5515, 120.665)(1161.5334, 151.87)" 1137.5577@1.2839999 FindByFormula + 1137.5577 1.2839999 1138.1512@8.422 "(1139.1611, 1170.8999)(1140.1536, 524.25)" 1138.1512@8.422 FindByFormula + 1138.1512 8.422 1138.6097@15.5285 "(570.313, 6363.825)(570.8126, 363.78998)(571.31305, 2043.3501)" 1138.6097@15.5285 FindByFormula + 1138.6097 15.5285 1138.823@9.1883335 "(1139.8275, 37308.52)(1140.8225, 9721.623)(1141.8339, 730.8367)" 1138.823@9.1883335 FindByFormula + 1138.823 9.1883335 1138.9647@9.194 "(1139.9708, 46898.184)(1140.9695, 7000.6733)(1141.9817, 1884.72)" 1138.9647@9.194 FindByFormula + 1138.9647 9.194 1140.4958@7.5192003 "(1139.4827, 757.35803)(1140.4886, 498.65997)" 1140.4958@7.5192003 FindByFormula - 1140.4958 7.5192003 1140.618@6.7590003 "(571.31506, 3510.415)(571.81476, 1884.11)(572.3075, 941.755)(582.30804, 2149.59)(582.80585, 1136.9)(583.2941, 459.31)(1163.5962, 1587.6799)(1164.6099, 1369.9551)" 1140.618@6.7590003 FindByFormula + 1140.618 6.7590003 1140.6476@8.776445 "(571.33185, 1420.6967)(571.83105, 583.00336)(572.3249, 584.27)(1141.6542, 78356.555)(1142.6571, 45517.953)(1143.6575, 17198.174)(1144.6611, 6643.4907)(1145.6575, 2909.73)(582.3249, 8226.865)(582.82056, 4611.424)(583.32916, 2536.52)(583.82745, 887.7233)(1163.6482, 426.08)(1164.6635, 32.46)" 1140.6476@8.776445 FindByFormula + 1140.6476 8.776445 1140.8771@26.4095 "(1141.8799, 2472.305)(1142.8833, 1773.1333)(1143.8798, 786.7183)" 1140.8771@26.4095 FindByFormula + 1140.8771 26.4095 1141.1112@6.7250004 "(571.56415, 1160.8351)(572.06494, 1045.495)" 1141.1112@6.7250004 FindByFormula + 1141.1112 6.7250004 1141.6298@7.8435 "(571.8232, 413.28)(572.32, 244.54)(572.8223, 89.02)(582.8212, 770.79)(583.3054, 885.12)(583.8081, 404.63)" 1141.6298@7.8435 FindByFormula + 1141.6298 7.8435 1141.6427@6.925 "(1140.635, 1100.135)(1141.6356, 657.755)" 1141.6427@6.925 FindByFormula - 1141.6427 6.925 1142.2609@1.9472499 "(572.13965, 5904.3027)(572.64343, 381.66998)(573.13916, 2001.325)(1143.2589, 501.22)" 1142.2609@1.9472499 FindByFormula + 1142.2609 1.9472499 1142.598@14.7552 "(1143.609, 13759.773)(1144.6099, 7287.2983)(1145.6136, 2649.745)(1146.6055, 777.31006)(1165.5795, 1826.7615)(1166.5797, 795.79706)(1167.5803, 549.24286)" 1142.598@14.7552 FindByFormula + 1142.598 14.7552 1142.6046@14.784715 "(572.817, 322.97)(1143.6107, 17620.373)(1144.6123, 10011.383)(1145.6147, 3227.0627)(1146.603, 961.42145)(1165.5853, 2917.47)(1166.5775, 1394.255)(1167.5814, 748.57996)" 1142.6046@14.784715 FindByFormula + 1142.6046 14.784715 1142.658@1.135 "(572.33716, 2648.5698)(572.8224, 733.73)(573.3297, 1350.48)" 1142.658@1.135 FindByFormula + 1142.658 1.135 1143.5284@1.8176666 "(1144.534, 2913.5032)(1145.544, 2223.9133)(1146.5458, 998.29004)" 1143.5284@1.8176666 FindByFormula + 1143.5284 1.8176666 1143.8115@7.969 "(1144.8137, 2663.96)(1145.8263, 2265.86)(1146.8254, 2422.69)" 1143.8115@7.969 FindByFormula + 1143.8115 7.969 1143.9799@9.603001 "(1144.9875, 14618.145)(1145.9917, 3456.85)" 1143.9799@9.603001 FindByFormula + 1143.9799 9.603001 1144.763@22.425428 "(1145.7712, 3696.0842)(1146.7733, 2383.1296)(1147.7764, 815.11)(1148.7705, 303.96246)" 1144.763@22.425428 FindByFormula + 1144.763 22.425428 1144.8087@9.281 "(1145.8169, 5627.795)(1146.8127, 1911.6399)(1147.8314, 594.27)" 1144.8087@9.281 FindByFormula + 1144.8087 9.281 1145.4414@14.815399 "(1146.4448, 2730.554)(1147.4492, 1380.9338)(1148.4553, 705.672)" 1145.4414@14.815399 FindByFormula + 1145.4414 14.815399 1145.8038@25.254002 "(573.9129, 2008.105)(574.4095, 1147.655)(574.9101, 373.695)" 1145.8038@25.254002 FindByFormula + 1145.8038 25.254002 1147.5848@7.217 "(1182.5676, 759.99756)(1146.5867, 1523.24)(1147.5908, 997.055)" 1147.5848@7.217 FindByFormula - 1147.5848 7.217 1148.2859@1.9145 "(575.15173, 3412.655)(575.65106, 1779.7)(576.1526, 1891.595)(1149.2891, 3679.135)(1150.2705, 2967.47)(1151.2715, 1833.72)" 1148.2859@1.9145 FindByFormula + 1148.2859 1.9145 1148.5891@7.3180003 "(1147.5701, 1560.0133)(1148.5732, 985.17334)(1149.5746, 454.32666)" 1148.5891@7.3180003 FindByFormula - 1148.5891 7.3180003 1148.6136@7.6978335 "(1147.6036, 1309.0751)(1148.6066, 771.0633)(1149.6017, 383.16165)" 1148.6136@7.6978335 FindByFormula - 1148.6136 7.6978335 1148.6292@14.809667 "(1149.6254, 12345.82)(1150.6284, 7140.9434)(1151.631, 2576.8767)(1152.6339, 949.35)" 1148.6292@14.809667 FindByFormula + 1148.6292 14.809667 1149.6128@7.571 "(575.8198, 2883.2)(576.3325, 1567.2649)(1150.6262, 9290.35)(1151.6182, 2438.92)(1152.5914, 492.39)" 1149.6128@7.571 FindByFormula + 1149.6128 7.571 1153.1407@6.8250003 "(577.5774, 6110.1)(578.07715, 5365.02)(578.57324, 1386.3501)(1154.134, 5368.175)(1155.1344, 4669.485)(1156.1328, 904.64496)(1176.1151, 1605.0349)" 1153.1407@6.8250003 FindByFormula + 1153.1407 6.8250003 1154.1375@6.7995 "(578.0762, 5170.165)(578.58374, 1305.47)" 1154.1375@6.7995 FindByFormula + 1154.1375 6.7995 1154.8505@26.4408 "(1155.8578, 2844.906)(1156.857, 2072.424)(1157.8635, 873.88)(1158.8627, 403.35666)" 1154.8505@26.4408 FindByFormula + 1154.8505 26.4408 1154.8523@23.9895 "(1155.8595, 12363.26)(1156.863, 9294.76)(1157.864, 4233.2803)(1158.8618, 1297.655)" 1154.8523@23.9895 FindByFormula + 1154.8523 23.9895 1154.8523@26.407999 "(1155.8586, 3892.8135)(1156.8583, 2835.11)(1157.8641, 1130.42)(1158.8591, 525.995)" 1154.8523@26.407999 FindByFormula + 1154.8523 26.407999 1158.8768@23.987 "(1159.8812, 3557.94)(1160.8878, 2495.375)(1161.8691, 1244.565)(1197.8501, 475.99)" 1158.8768@23.987 FindByFormula + 1158.8768 23.987 1162.6324@8.801001 "(582.32635, 16387.5)(582.8258, 9201.25)(583.3293, 3876.3398)(583.82526, 1272.82)(1163.6196, 104.79)" 1162.6324@8.801001 FindByFormula + 1162.6324 8.801001 1164.4982@11.254499 "(1166.492, 276.66)(583.2558, 8813.082)(583.7627, 1521.7275)(584.2577, 3459.7124)(1165.521, 513.28503)" 1164.4982@11.254499 FindByFormula + 1164.4982 11.254499 1164.5802@14.835 "(583.3013, 1899.4867)(583.80493, 615.69666)(584.28754, 1492.9066)(1165.5836, 2522.1765)(1166.5873, 1411.4268)(1167.5873, 796.12335)" 1164.5802@14.835 FindByFormula + 1164.5802 14.835 1165.6127@6.8867145 "(1196.5929, 3397.6702)(1197.1049, 3451.485)(1197.5901, 5066.16)(1198.0917, 2717.37)(583.8142, 3874.99)(584.312, 2059.8945)(584.81366, 1052.9779)(605.7999, 2792.351)(606.30444, 1836.1613)(606.80023, 1024.8099)(1166.613, 7249.4014)(1167.6146, 4240.305)(1168.6122, 1603.9423)(1169.608, 844.28796)(594.8072, 2462.355)(595.31177, 1605.5385)(595.8114, 707.646)(1204.5662, 977.69)(1205.5802, 845.925)(1188.5984, 5766.7256)(1189.5992, 3262.192)(1190.6035, 1544.8956)(1191.5957, 649.05164)" 1165.6127@6.8867145 FindByFormula + 1165.6127 6.8867145 1165.6136@6.8744 "(1164.6057, 3390.364)(1165.6079, 2139.1929)(1166.6108, 799.369)(1167.6118, 191.281)" 1165.6136@6.8744 FindByFormula - 1165.6136 6.8744 1165.6501@8.297 "(1164.6427, 1729.835)(1165.644, 1202.745)" 1165.6501@8.297 FindByFormula - 1165.6501 8.297 1166.7122@16.078918 "(1167.7183, 3084.1316)(1168.7214, 2085.6252)(1169.7207, 898.6239)(1170.7194, 279.32117)" 1166.7122@16.078918 FindByFormula + 1166.7122 16.078918 1168.5879@8.016 "(1167.576, 889.07245)(1168.578, 609.2125)" 1168.5879@8.016 FindByFormula - 1168.5879 8.016 1168.83@24.229834 "(1169.8407, 1996.5616)(1170.8447, 1578.1934)(1171.8514, 949.0783)" 1168.83@24.229834 FindByFormula + 1168.83 24.229834 1168.8328@26.399 "(1169.8398, 952.105)(1170.8406, 520.99)(1171.8445, 398.925)" 1168.8328@26.399 FindByFormula + 1168.8328 26.399 1169.5818@7.215 "(586.309, 717.28)(1170.592, 4647.35)(1171.5879, 2696.26)(1172.6011, 897.32996)(1173.6011, 242.52501)" 1169.5818@7.215 FindByFormula + 1169.5818 7.215 1169.6298@8.914 "(1168.6274, 725.98)(1169.6335, 432.94998)" 1169.6298@8.914 FindByFormula - 1169.6298 8.914 117.1347@0.9583333 "(118.14261, 5316.057)(119.14293, 190.09943)(140.12129, 336.17667)" 117.1347@0.9583333 FindByFormula + 117.1347 0.9583333 1170.5994@8.1565 "(586.3052, 430.56)(586.7914, 37.43)(1171.6053, 1460.37)(1172.5924, 1293.08)(1173.597, 1765.95)(1193.5793, 1431.4)(1194.5778, 1068.0)(1195.5591, 569.95)" 1170.5994@8.1565 FindByFormula + 1170.5994 8.1565 1170.6185@7.2520003 "(586.3174, 1820.9099)(586.803, 482.1)(1171.6082, 314.52)(1172.5984, 171.74)(1173.5901, 170.71)" 1170.6185@7.2520003 FindByFormula + 1170.6185 7.2520003 1172.7972@25.202126 "(1173.8088, 8819.643)(1174.8096, 6084.295)(1175.8115, 2613.2288)(1176.809, 871.80664)(1177.7991, 501.41)" 1172.7972@25.202126 FindByFormula + 1172.7972 25.202126 1174.0691@7.071 "(588.03955, 3228.5076)(588.5421, 1592.9575)(1175.0745, 400.62)" 1174.0691@7.071 FindByFormula + 1174.0691 7.071 1174.5989@6.9205 "(588.30566, 3773.415)(588.8009, 1399.375)" 1174.5989@6.9205 FindByFormula + 1174.5989 6.9205 1175.5477@6.582 "(1174.5533, 3759.7324)(1175.5574, 2253.1748)(1176.5599, 955.055)(1177.5587, 334.73248)" 1175.5477@6.582 FindByFormula - 1175.5477 6.582 1175.5616@6.5897994 "(588.7907, 8981.627)(589.29834, 4635.855)(589.7943, 2343.8225)(590.2981, 1220.145)(626.74036, 869.295)(627.2478, 427.78)(610.7741, 16736.736)(611.27747, 9956.5205)(611.7792, 4508.8896)(612.27704, 2163.2197)(612.77374, 929.6867)(1176.5719, 3995.2844)(1177.5692, 2710.4001)(1178.5645, 1913.385)(1179.5887, 366.02)(599.7816, 5451.2524)(600.28174, 2896.3481)(600.7885, 1280.676)(618.7594, 4095.83)(619.27106, 2748.98)(619.7675, 1669.985)(620.2572, 528.67)(1198.5504, 25743.146)(1199.5518, 15052.002)(1200.5527, 6563.6836)(1201.5526, 1997.0359)(1202.5531, 421.75998)" 1175.5616@6.5897994 FindByFormula + 1175.5616 6.5897994 1176.7548@16.6885 "(1177.7625, 567.355)(1178.7668, 359.425)(1179.7632, 215.065)" 1176.7548@16.6885 FindByFormula + 1176.7548 16.6885 1177.7692@26.575666 "(1178.7743, 1563.9268)(1179.77, 482.73666)(1180.7798, 397.35)" 1177.7692@26.575666 FindByFormula + 1177.7692 26.575666 1178.3104@1.9536667 "(1179.2975, 582.59)(1180.3085, 593.03)(1181.3184, 501.36)(1201.2985, 1003.4033)(1202.2902, 791.7)(1203.2928, 435.74667)" 1178.3104@1.9536667 FindByFormula + 1178.3104 1.9536667 1180.7299@6.8634005 "(591.36743, 1757.4325)(591.86444, 727.37)(592.3619, 524.0333)(1181.7339, 2049.456)(1182.7402, 1599.7161)(1183.7305, 643.125)(1184.7122, 170.12)(603.3402, 1244.49)(1203.7188, 5202.56)(1204.7211, 3583.5898)(1205.7175, 1676.432)(1206.7106, 415.9825)" 1180.7299@6.8634005 FindByFormula + 1180.7299 6.8634005 1180.7393@6.8529997 "(1179.7302, 1394.29)(1180.7397, 1011.58)" 1180.7393@6.8529997 FindByFormula - 1180.7393 6.8529997 1182.6803@17.2645 "(592.3445, 3156.41)(592.8583, 346.175)(593.3495, 1804.9751)(593.864, 207.41)(594.3496, 1406.71)" 1182.6803@17.2645 FindByFormula + 1182.6803 17.2645 1183.8802@7.266 "(1184.8835, 2783.06)(1185.3701, 2169.935)(592.9468, 3107.06)(593.4463, 1349.22)(1184.8475, 122.94)" 1183.8802@7.266 FindByFormula + 1183.8802 7.266 1184.5938@6.876 "(1185.5963, 9896.42)(1186.0996, 10833.82)(1186.597, 7766.985)(1187.0994, 4023.78)(1187.6067, 1134.355)(1207.8333, 1094.9299)(1208.332, 1300.11)(1208.5831, 2563.35)(1209.0746, 1042.44)(1209.584, 836.58)(593.3063, 9604.295)(593.8114, 7849.645)(594.30884, 2384.3901)(594.81555, 912.54504)" 1184.5938@6.876 FindByFormula + 1184.5938 6.876 1184.6741@8.82725 "(593.3395, 708.99)(593.8467, 581.64)(594.3475, 498.62)(594.8498, 71.39)(1185.6788, 93661.83)(1186.6833, 57677.05)(1187.6836, 21973.97)(1188.6799, 6140.7437)(1189.6925, 2563.7273)(612.32324, 1070.29)(612.8284, 687.14996)(613.327, 388.325)(613.8169, 125.97)(604.33685, 8266.666)(604.8374, 4805.0063)(605.33575, 2227.0898)(605.84424, 878.925)(606.3359, 350.3)" 1184.6741@8.82725 FindByFormula + 1184.6741 8.82725 1184.8707@25.194 "(593.4426, 2439.53)(593.9448, 1661.2633)(594.4406, 544.19336)" 1184.8707@25.194 FindByFormula + 1184.8707 25.194 1185.101@6.876 "(593.5571, 13009.061)(594.0608, 4817.065)(594.55286, 523.41003)" 1185.101@6.876 FindByFormula + 1185.101 6.876 1186.6066@7.1415 "(1187.6093, 763.83997)(1188.1208, 616.745)(594.3086, 2438.58)(594.8121, 965.07)(595.31, 1340.51)" 1186.6066@7.1415 FindByFormula + 1186.6066 7.1415 1187.5962@6.885429 "(594.80774, 2407.77)(595.3104, 1616.6825)(595.8099, 720.6975)(616.7893, 5414.4746)(617.29407, 3430.4749)(617.7912, 1913.6901)(1188.5994, 7247.759)(1189.5967, 4566.6714)(1190.6028, 1930.1873)(605.7972, 6684.94)(606.3063, 4650.2803)(606.7982, 1964.735)(1226.5547, 926.8075)(1227.5598, 208.25499)(1228.5826, 261.89)(1210.5795, 9586.562)(1211.5808, 6129.83)(1212.5917, 2178.7698)(1213.5919, 1065.8967)" 1187.5962@6.885429 FindByFormula + 1187.5962 6.885429 1188.622@7.943667 "(593.3034, 2085.41)(593.80634, 1277.6833)(594.3022, 522.9367)(1187.618, 1625.9033)(1188.6139, 1088.6167)(1189.6191, 642.00665)" 1188.622@7.943667 FindByFormula - 1188.622 7.943667 1188.7882@22.290834 "(1189.7985, 3854.2217)(1190.7983, 2422.595)(1191.8004, 1118.9233)(1192.7941, 470.10248)" 1188.7882@22.290834 FindByFormula + 1188.7882 22.290834 1189.653@25.1534 "(1190.6638, 2927.934)(1191.6649, 2335.192)(1192.6677, 1199.0759)(1193.6693, 510.23752)" 1189.653@25.1534 FindByFormula + 1189.653 25.1534 119.1289@1.97055 "(120.13729, 25017.979)(121.14028, 1498.974)(122.1484, 88.1)" 119.1289@1.97055 FindByFormula + 119.1289 1.97055 119.9738@27.328598 "(120.98134, 7605.926)(121.98464, 156.10901)(122.98228, 265.18573)" 119.9738@27.328598 FindByFormula + 119.9738 27.328598 119.9742@28.277 "(120.98129, 1554.3925)(121.98933, 62.0175)(122.9781, 98.05)" 119.9742@28.277 FindByFormula + 119.9742 28.277 1190.662@6.5629997 "(596.3336, 984.0)(596.82935, 224.23001)(1191.668, 4038.0)(1192.6716, 2661.3933)(1193.6871, 1341.75)(607.32263, 1178.89)(607.83673, 656.81)(1213.6509, 3364.07)(1214.6572, 2983.9133)(1215.6556, 1248.9701)(1216.6807, 805.7)" 1190.662@6.5629997 FindByFormula + 1190.662 6.5629997 1191.623@8.907001 "(1190.6162, 1302.63)(1191.6178, 871.37665)(1192.6208, 389.87332)" 1191.623@8.907001 FindByFormula - 1191.623 8.907001 1192.6666@19.5265 "(1193.674, 1520.39)(1194.6772, 1246.605)(1195.6792, 747.6)" 1192.6666@19.5265 FindByFormula + 1192.6666 19.5265 1192.6831@7.5225 "(1191.674, 1260.875)(1192.6785, 852.58997)" 1192.6831@7.5225 FindByFormula - 1192.6831 7.5225 1194.281@1.977 "(1195.2861, 1263.9299)(1196.271, 1171.5149)(1197.2737, 711.805)" 1194.281@1.977 FindByFormula + 1194.281 1.977 1194.7904@25.299 "(598.4011, 1433.705)(598.90283, 807.705)(599.40796, 475.025)" 1194.7904@25.299 FindByFormula + 1194.7904 25.299 1195.6462@8.196 "(598.8321, 21181.72)(599.3365, 14426.85)(621.3178, 1110.2)(1196.6514, 32356.45)(1197.6462, 20369.764)(1198.6487, 6025.135)(617.8107, 7744.66)(618.3206, 2669.69)(618.8187, 1460.7)(609.8255, 14622.39)(610.3252, 9657.725)(610.8224, 4241.23)(611.3282, 2410.69)(611.8225, 377.87)(1218.6265, 27690.025)(1219.6365, 18461.42)(1220.6246, 6990.1753)(1221.6309, 2921.78)" 1195.6462@8.196 FindByFormula + 1195.6462 8.196 1195.6495@8.164 "(1194.6421, 1677.605)(1195.6453, 1104.015)(1196.6444, 268.755)" 1195.6495@8.164 FindByFormula - 1195.6495 8.164 1196.4839@12.006 "(599.24304, 4582.995)(599.7479, 3473.3184)(600.24896, 1114.2866)" 1196.4839@12.006 FindByFormula + 1196.4839 12.006 1196.49@12.473332 "(599.24554, 2631.7732)(599.7482, 1799.4166)(600.2431, 1042.0)" 1196.49@12.473332 FindByFormula + 1196.49 12.473332 1197.4882@13.113 "(599.74915, 847.79504)(600.25134, 622.545)" 1197.4882@13.113 FindByFormula + 1197.4882 13.113 1197.4896@11.995501 "(599.7492, 2221.445)(600.24786, 1585.5901)" 1197.4896@11.995501 FindByFormula + 1197.4896 11.995501 1197.5392@6.5842853 "(599.78467, 5453.3276)(600.2851, 3169.212)(600.78656, 1377.936)(621.76483, 15888.575)(622.26514, 9153.888)(1198.5514, 21107.088)(1199.5516, 12440.622)(1200.5541, 5216.5786)(1220.5339, 27598.102)(1221.5348, 16476.752)(1222.5356, 6828.076)(1223.534, 2308.6067)(1224.5332, 1093.54)" 1197.5392@6.5842853 FindByFormula + 1197.5392 6.5842853 1197.6635@7.711 "(598.0737, 778.27)(598.3271, 833.96)(1196.6604, 1298.224)(1197.6598, 828.55597)(1198.6667, 389.732)" 1197.6635@7.711 FindByFormula - 1197.6635 7.711 1197.6661@7.704334 "(599.84143, 13303.007)(600.34296, 8410.413)(600.84186, 3364.0364)(601.3423, 894.30005)(601.8279, 323.8)(621.8218, 1051.4099)(622.32434, 652.475)(622.8273, 345.87)(1198.667, 4713.93)(1199.6592, 3479.325)(1200.6558, 836.985)(1201.6815, 591.73)(610.83167, 1781.97)(611.33203, 837.555)(611.8337, 298.12)(1237.6013, 2131.95)(1220.6433, 205.44)" 1197.6661@7.704334 FindByFormula + 1197.6661 7.704334 1197.6769@7.691273 "(599.84204, 11627.305)(600.3444, 7822.906)(600.8435, 3282.1428)(601.33704, 873.0)(601.8301, 328.5)(621.82733, 1733.7776)(622.3292, 415.285)(622.82825, 574.98254)(1198.6711, 7165.643)(1199.67, 4399.687)(1200.668, 2521.8599)(1201.654, 820.53503)(618.81934, 1104.4875)(619.32477, 628.1025)(619.8242, 364.5)(610.8368, 3458.6443)(611.33484, 1850.5328)(611.83405, 971.00574)(612.3228, 270.254)(1237.1118, 435.22498)(1237.6283, 95.57)(1220.6439, 2265.24)(1221.6548, 1153.17)(1222.638, 94.29)" 1197.6769@7.691273 FindByFormula + 1197.6769 7.691273 1198.5427@6.696 "(1199.5522, 5846.3896)(1200.5546, 2940.65)(1201.5736, 718.52997)(1221.5354, 8522.965)(1222.5391, 3461.96)(1223.5449, 1797.26)(1224.5333, 182.36)" 1198.5427@6.696 FindByFormula + 1198.5427 6.696 1198.6711@8.448334 "(1199.6621, 7186.8804)(1200.6592, 4346.3135)(1201.6533, 1947.2433)(1202.649, 693.475)" 1198.6711@8.448334 FindByFormula + 1198.6711 8.448334 "11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor-9,11-seco-5alpha-cholesta-7,22E-dien-9-one." "11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor-9,11-seco-5alpha-cholesta-7,22E-dien-9-one. [ C29 H46 O5, db=77.44, tgt=, overall=77.44, Lipid ID=LMST01031102, METLIN ID=84052 ]" "(475.34106, 9966.68)(476.34375, 3118.2864)" "11-acetoxy-3beta,6alpha-dihydroxy-24-methyl-27-nor-9,11-seco-5alpha-cholesta-7,22E-dien-9-one." FindByFormula + LMST01031102 474.3391 11.563667 11-dehydro-TXB2 "11-dehydro-TXB2 [ C20 H32 O6, mfg=72.66, db=72.81, tgt=, overall=72.74, CAS ID=67910-12-7, Lipid ID=LMFA03030004, KEGG ID=C05964, METLIN ID=36259 ]" 67910-12-7 "(369.2252, 3774.0437)(370.2291, 1418.9401)(371.22824, 492.625)(391.20856, 5900.242)(392.21344, 849.105)" 11-dehydro-TXB2 FindByFormula + C05964 LMFA03030004 368.2194 9.485429 11-deoxy-PGF1alpha "11-deoxy-PGF1alpha [ C20 H36 O4, mfg=73.21, db=73.07, tgt=, overall=73.14, CAS ID=37785-98-1, Lipid ID=LMFA03010068, METLIN ID=36139 ]" 37785-98-1 "(341.267, 1949.9883)(342.26974, 489.87)" 11-deoxy-PGF1alpha FindByFormula + LMFA03010068 340.2576 18.375834 11-Ketorockogenin acetate "11-Ketorockogenin acetate [ C31 H46 O7, db=69.11, tgt=, overall=69.11, CAS ID=82182-52-3, METLIN ID=44214 ]" 82182-52-3 "(553.3131, 2773.3071)(554.3154, 975.9129)(555.31024, 484.56284)" 11-Ketorockogenin acetate FindByFormula + 552.3065 16.006428 11-O-Demethylpradimicinone II "11-O-Demethylpradimicinone II [ C27 H21 N O12, db=46.42, tgt=, overall=46.42, KEGG ID=C06778, METLIN ID=66538 ]" "(552.11206, 6159.03)(553.1153, 2167.3064)(554.1044, 1524.4746)(574.0966, 1966.9563)" 11-O-Demethylpradimicinone II FindByFormula + C06778 551.1027 8.655999 11-trans-LTC4 "11-trans-LTC4 [ C30 H47 N3 O9 S, db=86.45, tgt=, overall=86.45, CAS ID=74841-69-3, Lipid ID=LMFA03020020, METLIN ID=36251 ]" 74841-69-3 "(626.31104, 3544.5618)(627.3161, 1466.9967)(628.31586, 564.68)(664.2554, 462.28503)(648.29285, 1178.804)(649.29065, 465.204)" 11-trans-LTC4 FindByFormula + LMFA03020020 625.3055 10.9853325 "12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid" "12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid [ C22 H38 O3, db=80.41, tgt=, overall=80.41, Lipid ID=LMFA01150002, METLIN ID=45904 ]" "(373.27228, 3226.332)(374.27573, 1081.4381)(375.2666, 131.7)" "12,15-epoxy-13,14-dimethyleicosa-12,14-dienoic acid" FindByFormula + LMFA01150002 372.2668 12.6206 120.1336@1.9462726 "(121.14096, 6217.0767)(122.14043, 273.59363)" 120.1336@1.9462726 FindByFormula + 120.1336 1.9462726 120.9586@26.009298 "(121.966, 11357.618)(122.96895, 320.80646)(123.96416, 5149.2866)(124.96599, 174.0625)" 120.9586@26.009298 FindByFormula + 120.9586 26.009298 120.9587@25.58957 "(121.966125, 6402.796)(122.96839, 177.23857)(123.96431, 2606.9214)(124.9626, 26.7)" 120.9587@25.58957 FindByFormula + 120.9587 25.58957 120.9588@26.031841 "(121.96604, 11091.335)(122.96901, 289.7968)(123.964226, 5021.567)(124.965126, 130.49374)" 120.9588@26.031841 FindByFormula + 120.9588 26.031841 120.9589@25.583199:1 "(121.96633, 7397.9077)(122.967514, 202.19199)(123.964516, 3001.4302)(124.96503, 100.815)" 120.9589@25.583199:1 FindByFormula + 120.9589 25.583199 120.9589@25.583199:2 "(121.96633, 7397.9077)(122.967514, 202.19199)(123.964516, 3001.4302)(124.96875, 146.615)" 120.9589@25.583199:2 FindByFormula + 120.9589 25.583199 120.959@24.1994 "(121.96639, 3691.616)(122.96633, 114.51399)(123.96416, 1675.334)" 120.959@24.1994 FindByFormula + 120.959 24.1994 120.959@26.2695 "(121.966354, 7304.4946)(122.970505, 115.38)(123.96425, 3228.425)" 120.959@26.2695 FindByFormula + 120.959 26.2695 120.9591@26.013498 "(121.96619, 13152.074)(122.97034, 404.19165)(123.9645, 6056.8433)(124.9683, 248.95001)" 120.9591@26.013498 FindByFormula + 120.9591 26.013498 120.9592@26.3055 "(121.9665, 6560.3447)(122.97065, 181.625)(123.964355, 3110.8)" 120.9592@26.3055 FindByFormula + 120.9592 26.3055 1200.2909@1.9269001 "(601.4905, 966.48676)(601.98773, 203.02)(602.49664, 1116.2767)(602.6621, 101.365)(603.1533, 493.98)(1201.3047, 2234.2969)(1202.3026, 1642.4059)(1203.3036, 1107.204)(1239.2368, 542.27997)" 1200.2909@1.9269001 FindByFormula + 1200.2909 1.9269001 1200.2988@1.9145 "(1201.3016, 4837.4297)(1202.303, 3448.71)(1203.3027, 1965.015)" 1200.2988@1.9145 FindByFormula + 1200.2988 1.9145 1200.6937@9.628 "(601.3498, 2158.88)(601.8405, 1051.43)(1201.7031, 9128.37)(1202.7015, 4206.52)" 1200.6937@9.628 FindByFormula + 1200.6937 9.628 1200.721@6.7577996 "(1201.7207, 1309.524)(1202.731, 957.818)(1203.7312, 453.845)(1223.7095, 5244.574)(1224.7131, 3902.382)(1225.7097, 1573.4401)(1226.7041, 716.9925)" 1200.721@6.7577996 FindByFormula + 1200.721 6.7577996 1201.6451@8.8255005 "(1202.654, 10465.735)(1203.6587, 4518.6504)(1204.6504, 1850.625)(1240.6049, 281.26)" 1201.6451@8.8255005 FindByFormula + 1201.6451 8.8255005 1202.6575@7.8970003 "(602.3346, 660.445)(602.84534, 217.50499)(1203.6438, 92.95)(1225.6494, 10735.285)(1226.654, 7043.92)(1227.6451, 3172.575)(1228.6373, 520.47)" 1202.6575@7.8970003 FindByFormula + 1202.6575 7.8970003 1202.6674@7.8854446 "(1201.6614, 2093.7468)(1202.6636, 1388.2078)(1203.666, 601.0437)" 1202.6674@7.8854446 FindByFormula - 1202.6674 7.8854446 1202.7205@6.8658752 "(1203.7227, 4654.4062)(1204.7224, 3673.5488)(1205.719, 1451.4724)(1206.7261, 383.695)(1225.7026, 8650.295)(1226.7054, 6256.1514)(1227.7056, 2394.9)(1228.7062, 766.48254)" 1202.7205@6.8658752 FindByFormula + 1202.7205 6.8658752 1205.632@25.148 "(1206.6415, 1492.9401)(1207.6398, 1393.9967)(1208.6432, 893.52)" 1205.632@25.148 FindByFormula + 1205.632 25.148 1206.6603@8.842501 "(604.33826, 21024.77)(604.83997, 12263.79)(605.3397, 4822.02)(605.8393, 1522.0549)" 1206.6603@8.842501 FindByFormula + 1206.6603 8.842501 1208.6157@7.334 "(605.3148, 1211.5449)(605.81555, 730.67004)" 1208.6157@7.334 FindByFormula + 1208.6157 7.334 1209.5708@6.8789997 "(1210.5789, 5867.94)(1211.5803, 3558.855)(1212.583, 1224.885)(1213.5817, 686.87)" 1209.5708@6.8789997 FindByFormula + 1209.5708 6.8789997 1209.7048@8.2105 "(605.8573, 5044.62)(606.3578, 3902.295)(606.8595, 1394.9149)" 1209.7048@8.2105 FindByFormula + 1209.7048 8.2105 1210.7366@16.025251 "(1211.7435, 2401.525)(1212.7458, 1604.8588)(1213.7474, 803.105)" 1210.7366@16.025251 FindByFormula + 1210.7366 16.025251 1211.5311@6.594 "(604.7604, 2141.41)(605.2623, 1367.8049)(605.75867, 1187.26)" 1211.5311@6.594 FindByFormula - 1211.5311 6.594 1211.6809@7.7371993 "(606.8468, 5943.12)(607.3476, 4062.368)(607.8495, 1544.7019)(608.34753, 464.085)(628.82806, 653.0467)(629.3303, 565.0366)(629.8337, 903.23)(1212.6761, 2603.688)(1213.675, 1297.6481)(1214.6665, 620.795)" 1211.6809@7.7371993 FindByFormula + 1211.6809 7.7371993 1211.6821@7.7376666 "(1210.6696, 688.92)(1211.6747, 447.5367)" 1211.6821@7.7376666 FindByFormula - 1211.6821 7.7376666 1212.2234@8.643499 "(607.1179, 3637.2202)(607.62366, 2456.45)(608.11426, 1229.93)(608.6221, 372.99)(1213.2169, 2924.2651)(1214.221, 1410.38)" 1212.2234@8.643499 FindByFormula + 1212.2234 8.643499 1212.486@24.2225 "(1213.4978, 2351.92)(1214.4905, 1180.3999)(1215.5046, 827.78503)(1235.4758, 2351.255)(1236.4836, 1879.2051)(1237.4883, 623.615)" 1212.486@24.2225 FindByFormula + 1212.486 24.2225 1212.487@24.2412 "(1213.4968, 1906.61)(1214.4926, 1126.695)(1215.4967, 637.68)(1235.4788, 1989.532)(1236.4792, 1577.742)(1237.4823, 515.23004)" 1212.487@24.2412 FindByFormula + 1212.487 24.2412 1212.8635@9.988501 "(1213.8655, 5817.3853)(1214.8691, 993.63)(1215.8718, 173.25)(1251.8126, 281.04)" 1212.8635@9.988501 FindByFormula + 1212.8635 9.988501 1213.0055@9.99 "(1214.0106, 10673.435)(1215.0142, 1259.3201)(1216.0132, 983.0)(1237.9763, 1183.415)" 1213.0055@9.99 FindByFormula + 1213.0055 9.99 1213.4186@14.810333 "(1214.4341, 1970.5834)(1215.4376, 1238.4133)(1216.4392, 381.78665)" 1213.4186@14.810333 FindByFormula + 1213.4186 14.810333 1213.5125@6.5856667 "(607.76184, 2042.44)(608.27515, 626.805)(1214.5182, 2396.5667)(1215.5258, 1235.4634)(1216.5254, 832.9733)(1217.5431, 213.185)(637.73083, 663.115)(638.2416, 594.815)(638.7308, 560.12)(1236.5038, 3645.2)(1237.5068, 2190.9465)(1238.5094, 1157.31)(1239.5188, 310.52)" 1213.5125@6.5856667 FindByFormula + 1213.5125 6.5856667 1215.857@9.935666 "(1216.8652, 17460.14)(1217.8591, 4354.973)(1218.8599, 6468.6997)" 1215.857@9.935666 FindByFormula + 1215.857 9.935666 1215.9949@9.952001 "(1217.0044, 20872.363)(1218.0004, 3338.64)(1219.0044, 10527.931)" 1215.9949@9.952001 FindByFormula + 1215.9949 9.952001 1216.425@9.916 "(1217.435, 15649.49)(1218.447, 1541.6)(1219.4314, 18045.67)(1220.4309, 10165.815)(1221.4354, 1586.555)(1239.9119, 1624.89)(1240.9443, 575.53)(1241.3998, 1006.04)" 1216.425@9.916 FindByFormula + 1216.425 9.916 1216.8248@25.12693 "(1217.8314, 5414.6626)(1218.8339, 3812.097)(1219.8416, 1550.5155)(1220.8505, 716.5062)" 1216.8248@25.12693 FindByFormula + 1216.8248 25.12693 1217.0264@9.688499 "(1218.0354, 6902.2197)(1219.0325, 2526.525)(1220.0377, 704.345)" 1217.0264@9.688499 FindByFormula + 1217.0264 9.688499 1218.4235@9.99 "(1219.4309, 12876.79)(1220.4299, 8421.585)(1221.4224, 811.69)" 1218.4235@9.99 FindByFormula + 1218.4235 9.99 1218.6042@13.990334 "(610.3096, 2320.06)(610.8028, 359.22668)(611.3105, 843.4267)(640.7782, 67.64)" 1218.6042@13.990334 FindByFormula + 1218.6042 13.990334 1219.5197@6.583833 "(610.77374, 13932.077)(611.2773, 8697.255)(611.77893, 4689.618)(612.2772, 1902.656)(1220.5328, 28404.703)(1221.535, 17135.9)(1222.5363, 7142.4116)(1223.5352, 3445.13)(1224.5311, 757.935)(621.7652, 16120.813)(622.2657, 9694.963)(622.7659, 4057.0999)(623.27, 3061.7634)" 1219.5197@6.583833 FindByFormula + 1219.5197 6.583833 1219.6527@7.7678003 "(1218.6394, 1222.4121)(1219.6409, 755.36804)(1220.648, 308.244)" 1219.6527@7.7678003 FindByFormula - 1219.6527 7.7678003 1219.6729@7.736 "(610.842, 4107.67)(611.33984, 2270.26)(611.8403, 1573.44)(612.3495, 449.17)(633.3241, 502.72)(633.8102, 49.41)(1220.6577, 2768.74)(1221.6566, 1940.77)" 1219.6729@7.736 FindByFormula + 1219.6729 7.736 1219.881@14.749001 "(1220.884, 6039.8203)(1221.8872, 4661.8)(1222.8948, 1600.375)(1223.881, 640.925)" 1219.881@14.749001 FindByFormula + 1219.881 14.749001 122.0538@1.0965 "(123.06085, 4359.8)(124.0587, 261.125)" 122.0538@1.0965 FindByFormula + 122.0538 1.0965 122.1054@1.0864285 "(123.11322, 8629.449)(124.11696, 375.6829)" 122.1054@1.0864285 FindByFormula + 122.1054 1.0864285 122.9571@25.59825 "(123.96448, 3166.8198)(124.96515, 157.16)" 122.9571@25.59825 FindByFormula + 122.9571 25.59825 122.9571@26.09679 "(123.964294, 6554.2617)(124.96734, 165.27261)" 122.9571@26.09679 FindByFormula + 122.9571 26.09679 1220.7782@16.564999 "(1221.7842, 1466.105)(1222.7881, 992.76)(1223.7903, 568.57)" 1220.7782@16.564999 FindByFormula + 1220.7782 16.564999 1222.703@6.7669997 "(1223.7057, 3005.5618)(1224.7043, 1622.752)(1225.7092, 1054.2)(1245.6871, 3152.478)(1246.6932, 2247.3782)(1247.6907, 1303.5221)(1248.6859, 161.41751)" 1222.703@6.7669997 FindByFormula + 1222.703 6.7669997 1223.7549@8.094 "(610.87146, 1689.8762)(611.3702, 1074.4257)(611.8727, 442.27097)(1222.7483, 4375.1846)(1223.7513, 2985.3682)(1224.7542, 1194.7217)(1225.7559, 565.6433)" 1223.7549@8.094 FindByFormula - 1223.7549 8.094 1224.6943@6.8633747 "(613.3416, 872.83)(613.8476, 518.49)(1225.702, 7994.8887)(1226.7041, 5799.9053)(1227.7036, 2303.6213)(1228.7083, 768.0038)(1229.6923, 421.42667)(1263.6512, 140.65)" 1224.6943@6.8633747 FindByFormula + 1224.6943 6.8633747 1225.7084@1.8455 "(613.8589, 568.285)(614.34924, 256.015)(624.8548, 1365.01)(625.3454, 1321.8)(1248.698, 4837.36)(1249.6938, 3772.05)(1250.691, 1180.26)(1251.7191, 415.83)" 1225.7084@1.8455 FindByFormula + 1225.7084 1.8455 1226.672@8.05 "(614.34454, 6487.9937)(614.8431, 788.5733)(615.34485, 2805.7832)" 1226.672@8.05 FindByFormula + 1226.672 8.05 1226.7046@9.864 "(1227.7134, 5928.83)(1228.716, 1467.98)" 1226.7046@9.864 FindByFormula + 1226.7046 9.864 1228.7017@8.859 "(615.35443, 1005.7225)(615.85345, 575.7975)(616.3651, 237.27)(1229.7072, 133387.89)(1230.7084, 84091.4)(1231.7113, 33496.176)(1232.7086, 10230.561)(1233.7113, 4176.532)(626.3503, 15224.753)(626.851, 9329.475)(627.3493, 3625.5957)(627.85236, 1133.5575)(628.3513, 324.73)" 1228.7017@8.859 FindByFormula + 1228.7017 8.859 1229.642@7.2139997 "(1241.639, 17448.232)(1242.137, 13489.859)(615.82837, 372.555)(616.3352, 64.92)(1230.6464, 155.25)" 1229.642@7.2139997 FindByFormula + 1229.642 7.2139997 1229.7039@8.860571 "(1230.7087, 88861.81)(1231.7133, 35546.285)(1232.711, 10833.276)" 1229.7039@8.860571 FindByFormula + 1229.7039 8.860571 123.0688@3.4959998 "(124.0757, 2190.675)(125.07615, 299.005)" 123.0688@3.4959998 FindByFormula + 123.0688 3.4959998 1231.3671@9.650499 "(1232.371, 13281.72)(1233.3748, 16099.94)(1234.3782, 2224.52)" 1231.3671@9.650499 FindByFormula + 1231.3671 9.650499 1231.6945@7.0225 "(1230.6891, 953.48)(1231.6913, 600.62)" 1231.6945@7.0225 FindByFormula - 1231.6945 7.0225 1231.7017@9.6536665 "(1232.708, 27650.264)(1233.7096, 12197.761)" 1231.7017@9.6536665 FindByFormula + 1231.7017 9.6536665 1232.6862@7.816 "(1231.6768, 1561.2)(1232.679, 970.71)" 1232.6862@7.816 FindByFormula - 1232.6862 7.816 1232.8187@22.1804 "(1233.8256, 3340.802)(1234.8246, 2257.876)(1235.8339, 932.6159)(1236.8405, 442.48)" 1232.8187@22.1804 FindByFormula + 1232.8187 22.1804 1233.8646@25.1075 "(617.93787, 2870.4702)(618.43976, 2146.465)(618.93774, 703.67505)" 1233.8646@25.1075 FindByFormula + 1233.8646 25.1075 1234.6984@7.3350005 "(640.34076, 3522.82)(640.8409, 1886.2233)(641.3359, 611.06665)" 1234.6984@7.3350005 FindByFormula + 1234.6984 7.3350005 1237.7075@9.8265 "(1238.7183, 4054.205)(1239.7034, 1643.7)" 1237.7075@9.8265 FindByFormula + 1237.7075 9.8265 124.9789@0.1485 "(125.98634, 1884.0449)(126.98775, 128.755)" 124.9789@0.1485 FindByFormula + 124.9789 0.1485 124.9789@27.449999 "(125.98617, 13446.19)(126.98904, 321.61)(127.9841, 702.74)" 124.9789@27.449999 FindByFormula + 124.9789 27.449999 124.979@1.4405 "(125.9863, 1568.4751)(126.99045, 153.445)" 124.979@1.4405 FindByFormula + 124.979 1.4405 124.979@27.219055 "(125.98634, 47212.195)(126.98909, 1970.2515)(127.98451, 478.43427)" 124.979@27.219055 FindByFormula + 124.979 27.219055 124.979@27.223 "(125.98651, 55340.75)(126.98923, 2313.0176)(127.98527, 642.33496)" 124.979@27.223 FindByFormula + 124.979 27.223 124.979@27.4615 "(125.9862, 10268.075)(126.989044, 234.70999)" 124.979@27.4615 FindByFormula + 124.979 27.4615 124.9791@0.145 "(125.986565, 3041.2698)(126.9894, 259.84)" 124.9791@0.145 FindByFormula + 124.9791 0.145 124.9791@1.5314999 "(125.98663, 2886.23)(126.9894, 199.28125)" 124.9791@1.5314999 FindByFormula + 124.9791 1.5314999 124.9792@0.46164998 "(125.98657, 3750.3926)(126.99011, 234.08696)" 124.9792@0.46164998 FindByFormula + 124.9792 0.46164998 124.9793@0.608579 "(125.986534, 8305.248)(126.989655, 358.6416)" 124.9793@0.608579 FindByFormula + 124.9793 0.608579 124.9794@27.463001 "(125.9863, 10565.82)(126.989105, 247.42499)(127.98345, 455.965)" 124.9794@27.463001 FindByFormula + 124.9794 27.463001 124.9794@28.094 "(125.98635, 4373.178)(126.98937, 213.27501)(127.9793, 249.87)" 124.9794@28.094 FindByFormula + 124.9794 28.094 124.9794@28.168625 "(125.98633, 4292.4224)(126.98989, 212.6725)(127.987366, 336.66998)" 124.9794@28.168625 FindByFormula + 124.9794 28.168625 124.9795@27.203823 "(125.98633, 47454.617)(126.98901, 1993.4963)(127.984535, 692.35333)" 124.9795@27.203823 FindByFormula + 124.9795 27.203823 124.9799@28.17 "(125.98637, 4283.362)(126.98973, 214.64447)(127.98477, 248.70332)" 124.9799@28.17 FindByFormula + 124.9799 28.17 1240.6031@24.205 "(1241.6125, 3936.2437)(1242.6139, 2930.6301)(1243.617, 1320.7448)(1244.6124, 424.57712)" 1240.6031@24.205 FindByFormula + 1240.6031 24.205 1240.6375@7.2034006 "(1241.6388, 23211.115)(1242.1372, 18768.443)(1242.6439, 6812.41)(1243.1562, 2289.64)(1243.6296, 1405.41)(1280.9114, 297.72998)(1281.4064, 761.0867)(1282.0887, 278.99)(1263.6292, 1303.01)(1264.1333, 1569.2)(1252.6263, 5550.44)(1253.1302, 2679.65)(1253.6305, 1008.13)(621.3275, 16381.709)(621.8251, 5307.238)(622.3288, 1064.6019)(622.8407, 214.67)(1241.6368, 13175.194)" 1240.6375@7.2034006 FindByFormula + 1240.6375 7.2034006 1241.1361@7.2113643 "(1242.1383, 14197.43)(1242.6368, 4905.077)(1243.1359, 1740.891)(1243.6296, 474.12)(621.57654, 11770.912)(622.0735, 1569.812)(622.5678, 439.278)(1264.1201, 670.08246)" 1241.1361@7.2113643 FindByFormula + 1241.1361 7.2113643 1241.5063@6.5800004 "(621.7637, 28623.904)(622.26556, 17260.938)(622.7661, 7582.39)(623.2697, 3017.9766)(623.7714, 933.1766)(1242.5117, 172.44667)" 1241.5063@6.5800004 FindByFormula + 1241.5063 6.5800004 1242.5133@6.6576667 "(622.2673, 10953.214)(622.76825, 4942.86)(1243.5099, 1168.62)(1244.5164, 800.55)(1245.5159, 723.58)" 1242.5133@6.6576667 FindByFormula + 1242.5133 6.6576667 1242.6772@8.504 "(1243.6833, 4790.8496)(1244.6824, 3336.7852)(1245.6826, 1321.3049)(1246.6771, 230.2)" 1242.6772@8.504 FindByFormula + 1242.6772 8.504 1243.8201@13.71925 "(1244.8231, 3655.52)(1245.8212, 2643.2825)(1246.8177, 1219.79)(1247.7966, 407.21)(1266.8125, 6391.6025)(1267.8132, 3128.0674)(1268.82, 1373.64)" 1243.8201@13.71925 FindByFormula + 1243.8201 13.71925 1244.6814@6.7660003 "(623.3427, 3414.83)(623.8497, 1453.4)(624.3421, 660.45)(1245.6915, 5589.9565)(1246.6962, 4087.8066)(1247.6927, 1518.8168)(1248.6752, 476.645)(634.34753, 3249.9248)(634.8482, 3814.975)(635.3447, 1869.2)" 1244.6814@6.7660003 FindByFormula + 1244.6814 6.7660003 1245.6768@8.8545 "(1246.6824, 13118.05)(1247.6814, 6724.5)(1248.681, 2826.145)" 1245.6768@8.8545 FindByFormula + 1245.6768 8.8545 1245.7313@8.8755 "(623.87256, 5153.985)(624.3723, 3541.495)(624.87415, 1670.7649)" 1245.7313@8.8755 FindByFormula + 1245.7313 8.8755 1245.7372@8.0778 "(1244.7283, 1965.7839)(1245.727, 1407.51)(1246.724, 686.654)(1247.7157, 292.07748)" 1245.7372@8.0778 FindByFormula - 1245.7372 8.0778 1246.0419@9.658501 "(1247.0486, 14683.9)(1248.0508, 18900.455)(1249.0537, 2896.9849)(1250.0419, 792.67)" 1246.0419@9.658501 FindByFormula + 1246.0419 9.658501 1247.615@3.2898 "(624.8109, 2125.392)(625.3136, 1589.622)(625.81335, 666.494)(626.31396, 325.62)(646.79425, 1486.4775)(647.3004, 1089.55)(647.7984, 518.2825)(1248.6141, 1566.66)(1249.6173, 970.11005)(1250.6157, 564.53)(635.8078, 5562.7417)(636.31055, 3260.018)(636.8098, 1272.532)(637.3084, 429.4975)" 1247.615@3.2898 FindByFormula + 1247.615 3.2898 1247.6195@3.4517999 "(624.81274, 2318.9375)(625.3124, 1802.725)(625.8182, 705.82)(646.7969, 1481.94)(647.2984, 1131.65)(647.7979, 482.39)(1248.6113, 216.94)(635.8074, 4791.956)(636.31024, 3280.0)(636.808, 1014.0399)(637.2923, 159.63)" 1247.6195@3.4517999 FindByFormula + 1247.6195 3.4517999 1247.6841@1.84 "(1248.6901, 2775.2532)(1249.6985, 2123.44)(1250.696, 887.61664)(1270.6748, 3191.7969)(1271.6786, 2366.0)(1272.6748, 1120.2667)" 1247.6841@1.84 FindByFormula + 1247.6841 1.84 1249.6398@7.309 "(1251.6659, 1052.29)(1272.6276, 791.96497)(1273.6272, 873.645)(1274.6123, 571.585)" 1249.6398@7.309 FindByFormula + 1249.6398 7.309 1249.8776@7.196 "(1250.8767, 3982.165)(1251.3773, 5357.515)(1251.8763, 3050.375)(1262.3632, 4107.94)(1262.8749, 1870.86)(1263.3666, 2273.02)(625.9459, 4674.685)(626.4444, 3712.935)(626.9509, 338.235)(1252.8815, 9655.29)" 1249.8776@7.196 FindByFormula + 1249.8776 7.196 125.0157@0.87899995 "(124.00903, 3854.2288)(125.01051, 136.44353)(126.00583, 179.29437)" 125.0157@0.87899995 FindByFormula - 125.0157 0.87899995 125.9813@28.166 "(126.98895, 641.455)(127.98395, 67.56)" 125.9813@28.166 FindByFormula + 125.9813 28.166 125.9819@27.262833 "(126.98913, 2370.5935)(127.98467, 266.72)" 125.9819@27.262833 FindByFormula + 125.9819 27.262833 1250.1235@7.2036667 "(1281.084, 642.83)(1281.6038, 580.28)(626.072, 5557.47)(626.5642, 2180.55)(1251.1241, 3069.5867)(1252.1274, 2106.99)(1253.1248, 3942.7869)(1254.1261, 601.23663)(1255.1116, 515.69)(1273.1136, 731.29)(1274.115, 1127.09)" 1250.1235@7.2036667 FindByFormula + 1250.1235 7.2036667 1250.371@7.186 "(1281.3406, 180.4)(1281.8259, 295.21)(1282.3234, 56.93)(626.1979, 3832.28)(626.7023, 1408.7)(627.1871, 444.92)(1251.3771, 3989.37)(1252.3752, 3121.605)(1253.3673, 2422.775)" 1250.371@7.186 FindByFormula + 1250.371 7.186 1251.727@8.414 "(626.86975, 29880.531)(627.3685, 20983.645)(627.8703, 8228.52)(628.3728, 2922.1)(1252.7273, 19616.445)(1253.7261, 13895.98)(1254.7324, 5235.575)(1255.7251, 1511.04)(637.86163, 7424.79)(638.3568, 4327.885)(638.85657, 1753.11)" 1251.727@8.414 FindByFormula + 1251.727 8.414 1252.7731@13.737666 "(627.39496, 2357.5)(627.8959, 1839.4601)(628.3914, 1173.5933)(628.8993, 994.59)(1253.777, 3821.5469)(1254.7794, 3305.3103)(1255.788, 1445.1167)" 1252.7731@13.737666 FindByFormula + 1252.7731 13.737666 1254.5681@14.085 "(628.2922, 1351.165)(628.7846, 160.145)(629.291, 483.65002)" 1254.5681@14.085 FindByFormula + 1254.5681 14.085 1254.7625@15.947333 "(1255.7694, 1687.8168)(1256.7692, 1330.5466)(1257.774, 668.1867)" 1254.7625@15.947333 FindByFormula + 1254.7625 15.947333 1255.862@7.1855 "(1256.8661, 3746.895)(1257.8763, 2714.835)(1258.8696, 1627.975)" 1255.862@7.1855 FindByFormula + 1255.862 7.1855 1256.4521@24.2565 "(1257.4563, 1515.13)(1258.4683, 1141.1901)(1259.4612, 920.905)(1279.4395, 1221.855)(1280.4396, 1143.215)" 1256.4521@24.2565 FindByFormula + 1256.4521 24.2565 1256.6868@9.209333 "(1257.7015, 15544.831)(1258.7041, 9772.263)(1259.7029, 3771.0867)(1260.6989, 1437.01)" 1256.6868@9.209333 FindByFormula + 1256.6868 9.209333 1257.4861@6.5655003 "(629.75055, 4050.695)(630.2567, 2514.725)(630.75635, 1908.65)(631.2473, 305.53)" 1257.4861@6.5655003 FindByFormula + 1257.4861 6.5655003 1259.7385@7.0545 "(630.88, 1443.64)(631.3781, 1496.57)(631.8698, 673.92)(632.359, 233.52)(1260.7474, 1908.2351)(1261.7471, 1182.8501)(1262.733, 933.88)(641.8715, 604.26)(642.3709, 558.46)(660.8459, 3070.0)(661.3414, 1900.97)(661.8483, 439.28)(1282.7297, 1546.755)(1283.7317, 1421.815)(1284.7119, 511.41)(1285.7285, 210.68)" 1259.7385@7.0545 FindByFormula + 1259.7385 7.0545 1259.7501@7.0438175 "(1258.7415, 2284.5364)(1259.7432, 1518.3074)(1260.7446, 583.11273)(1261.7473, 212.77571)" 1259.7501@7.0438175 FindByFormula - 1259.7501 7.0438175 1260.8586@25.070377 "(1261.8582, 5781.8726)(1262.8623, 3968.8228)(1263.8638, 1755.225)(1264.8698, 880.412)(1265.864, 347.315)" 1260.8586@25.070377 FindByFormula + 1260.8586 25.070377 1261.7473@9.814501 "(1262.7593, 30222.58)(1263.7474, 14022.71)(1264.7557, 746.36)" 1261.7473@9.814501 FindByFormula + 1261.7473 9.814501 1261.8918@9.731 "(1262.8944, 89348.914)(1263.8849, 21064.496)(1264.8905, 3872.9766)" 1261.8918@9.731 FindByFormula + 1261.8918 9.731 1262.0322@9.727 "(1263.0375, 121941.87)(1264.0298, 17521.0)(1265.0227, 3736.6602)" 1262.0322@9.727 FindByFormula + 1262.0322 9.727 1262.1735@9.733 "(1263.1785, 112551.39)(1264.1753, 11563.555)(1265.1765, 4457.92)" 1262.1735@9.733 FindByFormula + 1262.1735 9.733 1262.3108@9.75 "(1263.3215, 78147.47)(1264.3093, 6328.325)(1301.3126, 525.26)(1302.2687, 1301.71)(1303.2593, 856.29)" 1262.3108@9.75 FindByFormula + 1262.3108 9.75 1262.5857@24.177038 "(1263.5927, 27415.459)(1264.596, 20470.639)(1265.5999, 8563.78)(1266.6014, 2874.7036)(1267.6036, 803.7218)" 1262.5857@24.177038 FindByFormula + 1262.5857 24.177038 1262.5867@24.177 "(1263.5938, 31212.549)(1264.5966, 23000.705)(1265.601, 9640.628)(1266.6028, 3192.3699)(1267.6006, 960.40607)" 1262.5867@24.177 FindByFormula + 1262.5867 24.177 1262.5872@22.822332 "(1263.5941, 4624.6934)(1264.5957, 3483.9866)(1265.5996, 1421.33)(1266.6042, 519.95496)" 1262.5872@22.822332 FindByFormula + 1262.5872 22.822332 1262.6198@7.3475 "(1261.6125, 2156.71)(1262.6143, 1530.8674)(1263.6208, 591.8875)(1264.6282, 321.775)" 1262.6198@7.3475 FindByFormula - 1262.6198 7.3475 1262.9502@7.3424997 "(1263.9592, 10831.973)(1264.9572, 6368.057)(1265.9614, 1425.0175)" 1262.9502@7.3424997 FindByFormula + 1262.9502 7.3424997 1263.303@7.343 "(1264.302, 59306.84)(1265.3005, 16724.99)(1266.3069, 1636.655)(1286.2462, 604.28)" 1263.303@7.343 FindByFormula + 1263.303 7.343 1263.6118@7.3605003 "(1264.6211, 9977.015)(1265.6168, 2497.81)(1266.6321, 875.245)" 1263.6118@7.3605003 FindByFormula + 1263.6118 7.3605003 1264.8003@13.723251 "(1265.8105, 9685.998)(1266.8134, 7617.7905)(1267.8152, 3791.0647)(1268.8201, 1560.3049)(1269.8458, 323.03)" 1264.8003@13.723251 FindByFormula + 1264.8003 13.723251 1264.8853@9.790999 "(1265.8925, 27040.9)(1266.886, 14274.694)(1267.8838, 4173.027)" 1264.8853@9.790999 FindByFormula + 1264.8853 9.790999 1265.0292@9.7415 "(1266.0337, 49054.79)(1267.0239, 13598.994)(1268.0259, 14432.584)" 1265.0292@9.7415 FindByFormula + 1265.0292 9.7415 1265.1708@9.736667 "(1266.1742, 44707.637)(1267.1704, 8363.909)(1268.1714, 21220.533)" 1265.1708@9.736667 FindByFormula + 1265.1708 9.736667 1265.3112@9.755 "(634.6508, 2099.56)(1266.3196, 35138.117)(1267.3146, 3903.3225)(1268.3159, 23103.232)(1304.2716, 327.60666)(1305.2653, 472.54)" 1265.3112@9.755 FindByFormula + 1265.3112 9.755 1265.8016@13.757 "(1266.8114, 6832.91)(1267.8108, 3288.46)(1268.8135, 1393.7051)" 1265.8016@13.757 FindByFormula + 1265.8016 13.757 1266.2113@8.971001 "(1267.4459, 1014.13)(1267.6973, 1466.48)(634.1155, 2310.18)(634.6151, 2586.48)(635.1222, 473.96)" 1266.2113@8.971001 FindByFormula + 1266.2113 8.971001 1267.677@8.129499 "(1290.665, 728.9)(1291.6663, 390.26)" 1267.677@8.129499 FindByFormula + 1267.677 8.129499 1267.7375@9.747666 "(1268.7417, 37192.715)(1269.7405, 27273.867)(1270.7461, 4439.1367)(1307.7129, 967.895)" 1267.7375@9.747666 FindByFormula + 1267.7375 9.747666 1267.8798@9.736667 "(1268.8846, 37570.88)(1269.8824, 19472.56)(1270.8776, 4276.5166)" 1267.8798@9.736667 FindByFormula + 1267.8798 9.736667 1268.0225@9.736667 "(1269.0283, 37545.582)(1270.0254, 13192.297)(1271.026, 2069.9568)" 1268.0225@9.736667 FindByFormula + 1268.0225 9.736667 1269.5999@3.3346665 "(635.80743, 5283.123)(636.31, 3348.1035)(646.79144, 1148.2999)(647.29767, 847.4733)" 1269.5999@3.3346665 FindByFormula + 1269.5999 3.3346665 1269.6007@3.2898 "(635.8076, 5393.3057)(636.30975, 3283.186)(636.8086, 1149.878)(637.30304, 283.81)(646.79205, 1434.2)(647.29895, 970.4625)" 1269.6007@3.2898 FindByFormula + 1269.6007 3.2898 1269.7217@6.719 "(635.86816, 3238.3052)(636.36957, 2456.87)(636.8606, 1641.94)(657.8522, 4498.795)(658.3593, 3092.085)(658.85, 1272.6849)(1270.7383, 829.43)(1271.7526, 930.89)(1272.7426, 159.81)(646.86, 6926.56)(647.3581, 6267.03)(647.8464, 1802.03)(1292.7168, 11511.04)(1293.7175, 7458.8203)(1294.7219, 3501.79)(1295.7145, 1153.94)" 1269.7217@6.719 FindByFormula + 1269.7217 6.719 1269.741@6.722 "(1268.7316, 1780.6567)(1269.7324, 1232.8033)(1270.7318, 452.74332)" 1269.741@6.722 FindByFormula - 1269.741 6.722 127.0117@27.254126 "(128.01929, 7821.176)(129.02087, 1232.165)(130.01671, 620.41565)" 127.0117@27.254126 FindByFormula + 127.0117 27.254126 127.0117@27.272749 "(128.01924, 5941.488)(129.02084, 1061.4926)(130.01633, 770.4175)" 127.0117@27.272749 FindByFormula + 127.0117 27.272749 127.0119@26.978333 "(128.01944, 9563.856)(129.02057, 1846.5967)(130.01662, 1061.8733)" 127.0119@26.978333 FindByFormula + 127.0119 26.978333 127.0121@27.139683 "(128.01947, 9159.24)(129.02103, 1697.2284)(130.0171, 909.444)" 127.0121@27.139683 FindByFormula + 127.0121 27.139683 127.0129@0.69519997 "(128.01974, 4729.8877)(129.02133, 778.568)(130.01852, 683.8981)" 127.0129@0.69519997 FindByFormula + 127.0129 0.69519997 127.0129@28.004 "(128.0197, 1051.17)(129.02078, 216.57332)(130.0124, 406.38)" 127.0129@28.004 FindByFormula + 127.0129 28.004 127.0967@3.2117143 "(128.10393, 4962.653)(129.1006, 382.1057)" 127.0967@3.2117143 FindByFormula + 127.0967 3.2117143 1270.5381@26.057625 "(1271.544, 1072.4774)(1272.5476, 734.12994)(1273.543, 791.3525)" 1270.5381@26.057625 FindByFormula + 1270.5381 26.057625 1270.5865@9.733 "(1271.596, 23043.885)(1272.5945, 19611.7)(1273.5898, 8622.715)" 1270.5865@9.733 FindByFormula + 1270.5865 9.733 1270.7327@9.736667 "(1271.7407, 25864.236)(1272.7393, 16109.237)(1273.7345, 10791.677)" 1270.7327@9.736667 FindByFormula + 1270.7327 9.736667 1270.8726@9.755 "(1271.8815, 16087.843)(1272.8783, 8647.325)(1273.8821, 8814.311)" 1270.8726@9.755 FindByFormula + 1270.8726 9.755 1271.0181@9.7495 "(1272.0242, 23222.53)(1273.022, 9682.734)(1274.019, 10238.785)(1294.0012, 1768.565)" 1271.0181@9.7495 FindByFormula + 1271.0181 9.7495 1272.6549@8.847 "(1271.648, 927.21)(1272.6515, 645.29504)" 1272.6549@8.847 FindByFormula - 1272.6549 8.847 1273.4434@9.724501 "(1274.4512, 16419.725)(1275.4485, 12682.675)(1276.4365, 4635.15)(1296.4219, 703.67)(1297.4148, 1824.01)" 1273.4434@9.724501 FindByFormula + 1273.4434 9.724501 1273.5708@6.9875 "(637.7878, 11328.25)(638.2981, 7548.17)(638.8002, 3109.3)(1274.5605, 13394.92)(1275.5642, 8201.065)(1276.5826, 1111.82)(1313.53, 528.04)(1314.5211, 311.55)(1296.546, 7670.62)(1297.5487, 5960.09)" 1273.5708@6.9875 FindByFormula + 1273.5708 6.9875 1274.0151@9.715 "(1275.0204, 4315.19)(1276.0125, 2797.93)(1277.0148, 3480.67)(1312.9921, 684.77)(1313.9845, 538.36)(1314.9688, 347.78)" 1274.0151@9.715 FindByFormula + 1274.0151 9.715 1274.6963@2.3956668 "(638.3521, 975.8)(638.8532, 411.88)(1275.7059, 2740.9568)(1276.7103, 1697.4366)(1277.708, 737.8433)" 1274.6963@2.3956668 FindByFormula + 1274.6963 2.3956668 1274.6985@2.3956668 "(638.3521, 975.8)(638.8532, 411.88)(1275.7059, 2740.9568)(1276.7103, 1697.4366)(1277.708, 737.8433)" 1274.6985@2.3956668 FindByFormula + 1274.6985 2.3956668 1275.3966@9.679334 "(638.7223, 420.57)(639.2124, 457.38)(1276.4083, 13598.21)(1277.407, 17441.836)(1278.4098, 3469.3767)(1279.4203, 1073.35)" 1275.3966@9.679334 FindByFormula + 1275.3966 9.679334 1275.7294@9.686999 "(1276.736, 21931.67)(1277.7383, 10989.273)(1278.7405, 2956.53)(1279.7325, 1029.24)" 1275.7294@9.686999 FindByFormula + 1275.7294 9.686999 1276.2947@9.7495 "(1277.3042, 10047.82)(1278.3031, 8190.43)(1279.2964, 6061.69)" 1276.2947@9.7495 FindByFormula + 1276.2947 9.7495 1276.399@9.653 "(1277.406, 40756.367)(1278.4175, 6247.28)(1279.42, 1069.14)" 1276.399@9.653 FindByFormula + 1276.399 9.653 1276.4381@9.727 "(1277.4447, 6867.1396)(1278.4491, 6910.7803)(1279.4346, 4051.71)" 1276.4381@9.727 FindByFormula + 1276.4381 9.727 1276.7642@26.960333 "(1277.7699, 1801.5566)(1278.7747, 1036.7167)(1279.7736, 374.11337)" 1276.7642@26.960333 FindByFormula + 1276.7642 26.960333 1276.8492@22.090668 "(1277.8505, 2869.2766)(1278.8568, 2089.6868)(1279.8608, 855.8567)(1280.8589, 433.695)" 1276.8492@22.090668 FindByFormula + 1276.8492 22.090668 1278.6799@8.4035 "(662.32947, 1022.79004)(662.8384, 558.02496)" 1278.6799@8.4035 FindByFormula + 1278.6799 8.4035 1278.7354@8.3885 "(1277.7273, 1141.84)(1278.7317, 862.18)" 1278.7354@8.3885 FindByFormula - 1278.7354 8.3885 1278.7739@24.754501 "(1279.78, 2679.005)(1280.7792, 2293.1748)(1281.7927, 1076.1951)(1282.772, 422.70502)" 1278.7739@24.754501 FindByFormula + 1278.7739 24.754501 1279.5773@9.716499 "(1280.5859, 7707.1553)(1281.5867, 5273.19)(1282.5858, 4717.0303)" 1279.5773@9.716499 FindByFormula + 1279.5773 9.716499 1279.6141@6.678 "(640.81165, 2916.01)(641.3174, 1743.2051)(641.8231, 1019.27496)(662.7975, 2170.99)(663.3057, 890.63)(663.7944, 971.28)(1280.621, 2646.68)(1281.6155, 1629.94)(1282.615, 722.89)(1283.6177, 72.89)(651.8085, 7017.92)(652.31384, 4354.145)(652.80383, 2248.1)(653.3236, 1237.58)(1302.6094, 1783.97)(1303.6036, 1031.34)(1304.5944, 337.4)" 1279.6141@6.678 FindByFormula + 1279.6141 6.678 1281.7291@7.0444283 "(641.87036, 4761.37)(642.36414, 2753.975)(642.8763, 1039.3501)(663.85077, 2691.01)(664.35754, 1813.79)(664.8579, 1616.6399)(665.3676, 742.0)(1282.7313, 5090.6514)(1283.7285, 3203.1384)(1284.7367, 1363.1571)(1285.7393, 275.06)(652.8598, 4440.9604)(653.35626, 2654.7266)(653.8621, 1055.1566)(1320.6744, 1544.04)(1321.6831, 519.69)(1304.7166, 7426.3813)(1305.716, 5435.4)(1306.7217, 2033.8314)(1307.7212, 1183.4834)(1308.7439, 349.29)" 1281.7291@7.0444283 FindByFormula + 1281.7291 7.0444283 1281.7307@9.728 "(642.12195, 2052.645)(642.6239, 3247.7349)(643.1132, 896.6)(643.3773, 1001.78)(1282.7369, 7549.6147)(1283.7347, 2390.0151)(1284.7449, 1571.475)" 1281.7307@9.728 FindByFormula + 1281.7307 9.728 1282.802@13.617667 "(1283.8076, 1176.9)(1284.7915, 1348.47)(1285.8124, 1649.02)(1321.766, 3329.7102)(1322.7635, 2526.4734)(1323.771, 1342.2433)" 1282.802@13.617667 FindByFormula + 1282.802 13.617667 1282.8412@25.055334 "(642.4278, 3507.8733)(642.928, 2059.3167)(643.4268, 974.73663)(643.9344, 138.43)" 1282.8412@25.055334 FindByFormula + 1282.8412 25.055334 1284.6102@7.3395 "(1285.6086, 43842.688)(1286.612, 29004.316)(1287.6204, 11542.17)(1288.6305, 5428.24)(1323.5659, 1097.99)(1324.5796, 724.95496)(1307.6105, 6974.09)(1308.6023, 6150.41)(1309.6228, 3205.44)" 1284.6102@7.3395 FindByFormula + 1284.6102 7.3395 1286.7034@8.593333 "(1287.7096, 3318.0203)(1288.7118, 2407.0764)(1289.7126, 1732.88)(1290.7452, 289.37)" 1286.7034@8.593333 FindByFormula + 1286.7034 8.593333 1287.3436@7.159 "(644.6787, 7716.44)(645.1813, 3914.215)(645.67645, 1067.215)(1288.341, 3170.5452)(1289.3544, 1309.115)(1290.3544, 241.455)" 1287.3436@7.159 FindByFormula + 1287.3436 7.159 1288.7087@8.899 "(1289.7075, 39166.934)(1290.7107, 23885.393)(1291.7126, 13213.03)(1292.7163, 5068.6704)(1293.7124, 3620.86)" 1288.7087@8.899 FindByFormula + 1288.7087 8.899 1288.7566@9.685 "(1289.7616, 8240.47)(1290.7552, 4118.6836)(1311.7413, 6178.623)" 1288.7566@9.685 FindByFormula + 1288.7566 9.685 1289.7594@8.893333 "(645.8853, 8836.533)(646.3857, 5685.6997)(646.8874, 2488.0)(647.3801, 1162.1067)(647.88336, 104.94666)" 1289.7594@8.893333 FindByFormula + 1289.7594 8.893333 129.0803@1.6500001 "(130.08687, 907.2166)(131.09483, 86.793335)" 129.0803@1.6500001 FindByFormula + 129.0803 1.6500001 1290.4087@9.696334 "(1291.4136, 27047.197)(1292.4135, 13565.25)(1293.4332, 1818.0233)" 1290.4087@9.696334 FindByFormula + 1290.4087 9.696334 1291.7043@6.716 "(646.8581, 2168.31)(647.36, 2460.45)(647.8657, 1308.26)(668.84143, 2182.43)(669.3437, 1704.21)(1292.7135, 9690.79)(1293.7181, 6497.7695)(1294.7194, 2727.5798)(1295.714, 1119.3033)(1314.6991, 10205.873)(1315.7006, 7394.5864)(1316.7076, 3207.7002)" 1291.7043@6.716 FindByFormula + 1291.7043 6.716 1294.5702@21.048082 "(1295.5795, 16273.39)(1296.5829, 12299.946)(1297.5879, 5082.43)" 1294.5702@21.048082 FindByFormula + 1294.5702 21.048082 1294.7177@8.879201 "(648.36444, 40449.008)(648.86554, 26475.95)(649.3672, 11348.029)(649.87, 3660.28)(650.36615, 1320.4501)" 1294.7177@8.879201 FindByFormula + 1294.7177 8.879201 1295.083@21.0425 "(1296.0879, 5538.685)(1297.0845, 2247.365)(1298.0742, 588.45)" 1295.083@21.0425 FindByFormula + 1295.083 21.0425 1296.6805@2.363 "(649.35, 570.595)(649.8521, 525.435)(650.35516, 420.575)(1297.6858, 2125.365)(1298.6907, 1718.4751)(1299.6982, 688.26)" 1296.6805@2.363 FindByFormula + 1296.6805 2.363 1298.772@13.72525 "(1299.7786, 2704.995)(1300.7803, 2008.1774)(1301.7878, 1201.685)(1302.7849, 605.815)(1321.7577, 1455.23)(1322.7574, 1319.18)(1323.771, 468.08)" 1298.772@13.72525 FindByFormula + 1298.772 13.72525 1298.8267@22.060501 "(650.42456, 1623.6001)(650.9208, 1333.69)(651.4238, 627.775)" 1298.8267@22.060501 FindByFormula + 1298.8267 22.060501 1299.7809@13.736333 "(1300.786, 3122.42)(1301.788, 1772.6133)" 1299.7809@13.736333 FindByFormula + 1299.7809 13.736333 "12beta-hydroxy-24-norcholesta-1,4,22E-trien-3-one" "12beta-hydroxy-24-norcholesta-1,4,22E-trien-3-one [ C26 H38 O2, db=62.48, tgt=, overall=62.48, Lipid ID=LMST01010311, METLIN ID=83912 ]" "(405.27716, 1625.5449)(406.281, 716.66)" "12beta-hydroxy-24-norcholesta-1,4,22E-trien-3-one" FindByFormula + LMST01010311 404.2706 1.119 "12-oxo-5E,8E,10Z-dodecatrienoic acid" "12-oxo-5E,8E,10Z-dodecatrienoic acid [ C12 H16 O3, db=85.88, tgt=, overall=85.88, Lipid ID=LMFA01060095, METLIN ID=74733 ]" "(207.10213, 2835.1274)(208.10547, 360.055)" "12-oxo-5E,8E,10Z-dodecatrienoic acid" FindByFormula - LMFA01060095 208.11 11.123937 12R-HpETE "12R-HpETE [ C20 H32 O4, mfg=77.93, db=77.92, tgt=, overall=77.93, Lipid ID=LMFA03060070, KEGG ID=C14812, METLIN ID=36322 ]" "(337.2381, 4032.74)(338.23807, 947.3133)(339.24936, 348.41666)" 12R-HpETE FindByFormula + C14812 LMFA03060070 336.2312 10.192333 12R-HpETE - 12.57775 "12R-HpETE [ C20 H32 O4, db=87.99, tgt=, overall=87.99, Lipid ID=LMFA03060070, KEGG ID=C14812, METLIN ID=36322 ]" "(335.22116, 1697.41)(336.22394, 347.81)(337.2307, 92.19)" 12R-HpETE - 12.57775 FindByFormula - C14812 LMFA03060070 336.2265 12.57775 12R-HpETE + 10.3273325 "12R-HpETE [ C20 H32 O4, db=81.89, tgt=, overall=81.89, Lipid ID=LMFA03060070, KEGG ID=C14812, METLIN ID=36322 ]" "(337.23776, 4301.44)(338.23898, 1133.2333)(339.24796, 377.04663)" 12R-HpETE + 10.3273325 FindByFormula + C14812 LMFA03060070 336.2315 10.3273325 12R-HpETE + 12.073599 "12R-HpETE [ C20 H32 O4, db=92.34, tgt=, overall=92.34, Lipid ID=LMFA03060070, KEGG ID=C14812, METLIN ID=36322 ]" "(359.21774, 6209.708)(360.22168, 1442.9359)(361.2316, 157.63)" 12R-HpETE + 12.073599 FindByFormula + C14812 LMFA03060070 358.2111 12.073599 12R-HpETE + 12.1268 "12R-HpETE [ C20 H32 O4, db=77.95, tgt=, overall=77.95, Lipid ID=LMFA03060070, KEGG ID=C14812, METLIN ID=36322 ]" "(359.2177, 4718.252)(360.2217, 1066.044)" 12R-HpETE + 12.1268 FindByFormula + C14812 LMFA03060070 358.2068 12.1268 12R-HpETE + 12.939334 "12R-HpETE [ C20 H32 O4, db=68.02, tgt=, overall=68.02, Lipid ID=LMFA03060070, KEGG ID=C14812, METLIN ID=36322 ]" "(359.21777, 1951.5668)(360.22263, 587.10333)" 12R-HpETE + 12.939334 FindByFormula + C14812 LMFA03060070 358.2122 12.939334 12R-HpETE + 12.939334 :1 "12R-HpETE [ C20 H32 O4, db=68.94, tgt=, overall=68.94, Lipid ID=LMFA03060070, KEGG ID=C14812, METLIN ID=36322 ]" "(359.21774, 1999.4)(360.2225, 589.18335)(381.2013, 437.19)" 12R-HpETE + 12.939334 :1 FindByFormula + C14812 LMFA03060070 358.2122 12.939334 "13,14-dihydro-19R-hydroxyPGE1" "13,14-dihydro-19R-hydroxyPGE1 [ C20 H36 O6, db=82.55, tgt=, overall=82.55, Lipid ID=LMFA03010165, METLIN ID=36212 ]" "(395.24036, 1592.325)(396.2431, 378.675)" "13,14-dihydro-19R-hydroxyPGE1" FindByFormula + LMFA03010165 394.235 8.8945 "13,14-dihydro-19R-hydroxyPGE1 - 9.713" "13,14-dihydro-19R-hydroxyPGE1 [ C20 H36 O6, db=83.52, tgt=, overall=83.52, Lipid ID=LMFA03010165, METLIN ID=36212 ]" "(371.2434, 2772.67)(372.247, 591.265)" "13,14-dihydro-19R-hydroxyPGE1 - 9.713" FindByFormula - LMFA03010165 372.2504 9.713 "13,14-dihydro-19R-hydroxyPGE1 - 9.751334" "13,14-dihydro-19R-hydroxyPGE1 [ C20 H36 O6, db=81.11, tgt=, overall=81.11, Lipid ID=LMFA03010165, METLIN ID=36212 ]" "(371.2429, 3840.7168)(372.2461, 821.75336)" "13,14-dihydro-19R-hydroxyPGE1 - 9.751334" FindByFormula - LMFA03010165 372.248 9.751334 "13,14-dihydro-PGE1" "13,14-dihydro-PGE1 [ C20 H36 O5, db=80.82, tgt=, overall=80.82, CAS ID=19313-28-1, Lipid ID=LMFA03010144, METLIN ID=36193 ]" 19313-28-1 "(379.24463, 8025.4863)(380.24948, 1867.4867)" "13,14-dihydro-PGE1" FindByFormula + LMFA03010144 378.2376 10.743 "13,14-dihydro-PGE1 - 10.211334" "13,14-dihydro-PGE1 [ C20 H36 O5, db=77.62, tgt=, overall=77.62, CAS ID=19313-28-1, Lipid ID=LMFA03010144, METLIN ID=36193 ]" 19313-28-1 "(355.2474, 6069.7695)(356.25098, 1245.8066)" "13,14-dihydro-PGE1 - 10.211334" FindByFormula - LMFA03010144 356.2525 10.211334 "13,14-dihydro-PGE1 - 10.211334 :1" "13,14-dihydro-PGE1 [ C20 H36 O5, db=77.62, tgt=, overall=77.62, CAS ID=19313-28-1, Lipid ID=LMFA03010144, METLIN ID=36193 ]" 19313-28-1 "(355.2474, 6069.7695)(356.25098, 1245.8066)" "13,14-dihydro-PGE1 - 10.211334 :1" FindByFormula - LMFA03010144 356.2548 10.211334 1300.727@9.173333 "(651.3714, 395.3)(651.8587, 277.71)(1301.7275, 4991.675)(1302.7294, 3055.8052)(1303.7227, 1225.615)(1304.7228, 147.92)" 1300.727@9.173333 FindByFormula + 1300.727 9.173333 1303.601@7.2007995 "(652.8097, 49520.477)(653.31396, 33599.355)(653.81256, 16314.005)(654.32275, 4306.814)(654.82245, 1549.18)(690.75824, 1367.1799)(691.2572, 865.53503)(1304.6047, 10131.992)(1305.6047, 7740.5)(1306.6134, 3582.228)(1307.6221, 1186.005)(671.78644, 3864.0059)(672.27985, 1419.1959)(672.78815, 1875.9834)(663.8014, 6835.2446)(664.3106, 4434.448)(664.8014, 3668.0051)(665.2969, 443.96)(1342.5593, 1972.025)(1343.5654, 1216.4525)(1344.5806, 772.87756)(682.77893, 2462.295)(683.2871, 1673.045)(683.7735, 1651.14)(1326.5985, 3218.2524)(1327.6003, 3026.6526)(1328.6044, 2618.4268)" 1303.601@7.2007995 FindByFormula + 1303.601 7.2007995 1304.7548@9.684 "(1305.7593, 16074.745)(1306.7587, 21092.049)(1307.7664, 3512.05)" 1304.7548@9.684 FindByFormula + 1304.7548 9.684 1304.785@26.946499 "(1305.7941, 714.77997)(1306.7986, 420.765)(1307.7996, 470.145)" 1304.785@26.946499 FindByFormula + 1304.785 26.946499 1304.789@13.659399 "(1305.7941, 1597.1766)(1306.789, 1617.2933)(1307.7797, 1093.2201)(1327.7806, 6684.832)(1328.7836, 5400.2383)(1329.7891, 2667.522)" 1304.789@13.659399 FindByFormula + 1304.789 13.659399 1304.874@24.977667 "(1305.8846, 6068.0737)(1306.8892, 4530.983)(1307.8905, 1918.7983)(1308.8917, 909.36993)(1309.9114, 256.24)" 1304.874@24.977667 FindByFormula + 1304.874 24.977667 1304.8774@24.973 "(1305.884, 6332.9775)(1306.8888, 4585.34)(1307.8901, 1959.418)(1308.8833, 414.21335)" 1304.8774@24.973 FindByFormula + 1304.8774 24.973 1305.0762@9.695499 "(1306.0908, 21503.33)(1307.097, 11338.035)(1308.0983, 4200.16)(1309.1039, 1478.31)" 1305.0762@9.695499 FindByFormula + 1305.0762 9.695499 1305.4146@9.696334 "(654.7234, 3359.43)(1306.4225, 27461.998)(1307.4232, 6168.4136)(1308.4233, 1323.3049)" 1305.4146@9.696334 FindByFormula + 1305.4146 9.696334 1305.8785@24.98017 "(1306.884, 4161.9985)(1307.8917, 1783.4017)" 1305.8785@24.98017 FindByFormula + 1305.8785 24.98017 1309.7333@7.7895 "(655.875, 12917.48)(656.374, 9813.66)(656.8715, 4130.84)(1310.7422, 4095.43)(1311.7308, 3427.69)(1312.7104, 588.15)(674.8477, 1024.97)(675.3542, 1049.6)(675.8629, 977.06)(1348.6995, 1398.38)(1349.6869, 1056.79)(1332.716, 2442.66)(1333.7096, 577.14)(1334.6957, 594.94)" 1309.7333@7.7895 FindByFormula + 1309.7333 7.7895 131.1547@1.2631665 "(132.16194, 48359.45)(133.16457, 2022.54)" 131.1547@1.2631665 FindByFormula + 131.1547 1.2631665 131.1551@1.2820418 "(132.16193, 42191.562)(133.16408, 1722.9722)" 131.1551@1.2820418 FindByFormula + 131.1551 1.2820418 1310.5992@7.8886666 "(1309.5919, 707.77325)(1310.5945, 491.9867)(1311.5952, 265.97)" 1310.5992@7.8886666 FindByFormula - 1310.5992 7.8886666 1310.6989@7.933 "(656.3541, 603.555)(656.85876, 272.38)(657.3633, 359.3)(1311.7057, 5354.61)(1312.7073, 2986.81)(1313.7048, 1706.26)(1314.7019, 201.86)" 1310.6989@7.933 FindByFormula + 1310.6989 7.933 1310.8063@13.7285 "(1311.8037, 1634.325)(1312.8024, 1390.685)(1313.7952, 1082.03)(1333.8057, 1893.33)(1334.807, 1636.475)(1335.8035, 1010.66504)" 1310.8063@13.7285 FindByFormula + 1310.8063 13.7285 1312.258@8.651334 "(657.13385, 1329.7101)(657.63806, 901.9217)(658.13074, 1319.8617)(658.6369, 550.146)(659.1291, 553.125)(676.11505, 4570.365)(676.6169, 3248.1633)(677.1149, 2235.79)(677.61523, 1027.3633)" 1312.258@8.651334 FindByFormula + 1312.258 8.651334 1312.2664@8.655779 "(1311.2653, 1176.0945)(1312.2664, 818.6745)(1313.2676, 504.86218)" 1312.2664@8.655779 FindByFormula - 1312.2664 8.655779 1312.2799@8.6495 "(657.14514, 1388.875)(657.64215, 1284.135)(658.13257, 1348.0549)(658.63776, 461.87)(659.1291, 64.08)(676.12036, 3905.8633)(676.62164, 2529.4766)(677.1209, 1885.3501)(677.62146, 1214.27)(1351.2281, 4516.803)(1352.2245, 3297.9668)(1353.2345, 2579.3066)(687.1163, 8349.905)(687.6145, 1819.7649)(688.116, 6346.3877)(688.6162, 863.4133)(689.1204, 2252.68)(1335.2626, 5737.957)(1336.2626, 3149.8135)(1337.2677, 2720.8132)" 1312.2799@8.6495 FindByFormula + 1312.2799 8.6495 1313.688@6.726667 "(1314.6996, 9420.33)(1315.7008, 6970.7427)(1316.7054, 2988.7)(1317.703, 1003.3)(1318.7029, 556.375)" 1313.688@6.726667 FindByFormula + 1313.688 6.726667 1316.0337@7.4425 "(659.0285, 2031.43)(659.5265, 320.38)(660.0232, 365.28)(1317.0385, 507.97)(1318.0449, 468.73)" 1316.0337@7.4425 FindByFormula + 1316.0337 7.4425 1316.752@8.919333 "(659.37994, 1128.825)(659.89014, 1054.4976)(660.3913, 543.62)(1317.7593, 122451.89)(1318.7618, 81595.03)(1319.7627, 35124.51)(1320.762, 12167.447)(1321.7682, 3796.072)(678.36194, 1982.66)(678.8756, 1571.08)(679.3654, 718.55664)(679.8595, 305.72)(670.3765, 17954.764)(670.87756, 12753.738)(671.378, 5293.1704)(671.8697, 1702.6632)(672.3716, 579.65753)(1355.7086, 232.83)" 1316.752@8.919333 FindByFormula + 1316.752 8.919333 1317.6708@7.5915003 "(659.848, 1685.62)(660.3459, 1233.97)(660.8397, 258.68)(1318.6764, 1922.285)(1319.6782, 965.12)(1320.6802, 822.86)" 1317.6708@7.5915003 FindByFormula + 1317.6708 7.5915003 1319.361@1.928 "(660.69293, 1592.0)(661.189, 1493.965)(661.6957, 881.39)(1320.3379, 1013.66)(1321.354, 1297.96)(671.68616, 677.255)(672.19244, 718.52)(672.6819, 277.375)" 1319.361@1.928 FindByFormula + 1319.361 1.928 1319.7611@9.72275 "(1320.7654, 20552.346)(1321.7665, 10203.748)(1322.7667, 1805.4626)(1323.7527, 701.655)" 1319.7611@9.72275 FindByFormula + 1319.7611 9.72275 132.0812@3.745 "(133.08942, 5192.79)(134.09003, 545.2775)(135.08081, 2609.8623)" 132.0812@3.745 FindByFormula + 132.0812 3.745 132.0816@3.7643998 "(133.08942, 4332.75)(134.08904, 449.40802)(135.08089, 2224.2498)" 132.0816@3.7643998 FindByFormula + 132.0816 3.7643998 1320.4275@9.6835 "(1321.4324, 28023.49)(1322.437, 5408.715)(1323.4341, 1241.265)" 1320.4275@9.6835 FindByFormula + 1320.4275 9.6835 1320.6846@7.359 "(661.35205, 1494.24)(661.83997, 346.465)(1321.6636, 116.23)" 1320.6846@7.359 FindByFormula + 1320.6846 7.359 1320.7546@13.7365 "(661.3782, 725.68)(661.879, 264.57)(662.3762, 467.25)(1321.7683, 2798.065)(1322.7673, 2692.59)(1323.7708, 1452.955)" 1320.7546@13.7365 FindByFormula + 1320.7546 13.7365 1320.8665@21.963001 "(1321.8766, 2288.988)(1322.8829, 1653.032)(1323.8833, 991.988)(1324.8811, 324.78003)" 1320.8665@21.963001 FindByFormula + 1320.8665 21.963001 1321.9044@24.986 "(661.9613, 1188.35)(662.46246, 1037.415)(662.96173, 273.715)" 1321.9044@24.986 FindByFormula + 1321.9044 24.986 1323.6653@7.1225 "(662.8401, 5528.05)(663.34875, 4420.2)(663.83594, 1417.27)(1324.6682, 3209.15)(1325.6654, 1291.53)" 1323.6653@7.1225 FindByFormula + 1323.6653 7.1225 1325.5854@7.186 "(663.80334, 12888.86)(664.3139, 8837.34)(664.8026, 5725.615)(1326.5958, 4524.965)(1327.6099, 3768.57)(1328.5966, 3198.0251)(1364.542, 1826.81)(1365.5254, 1551.6101)(1366.5356, 595.5)(1348.5797, 1821.0049)(1349.5603, 646.745)(1350.5515, 436.71503)" 1325.5854@7.186 FindByFormula + 1325.5854 7.186 1325.7539@7.3955836 "(663.88824, 12704.64)(664.386, 9140.571)(664.89044, 4133.6006)(665.3851, 1102.975)(665.8943, 469.16998)(685.8712, 2810.272)(686.36914, 1864.6309)(686.8666, 1082.2318)(687.3639, 485.88998)(1326.763, 3704.2275)(1327.77, 2704.9333)(1328.7631, 1502.3451)(1329.758, 680.67)(682.931, 1720.3662)(683.3619, 884.4428)(683.86084, 424.42804)(674.8776, 5091.3965)(675.3748, 3908.0156)(675.87964, 1715.6951)(676.37006, 375.33334)(676.8608, 57.58)(1364.7031, 978.90674)(1365.7178, 218.18666)(693.8539, 1226.9601)(694.358, 1106.2856)(694.8603, 1142.05)(695.3686, 602.53503)(695.8571, 379.4)(1348.7385, 1756.9211)(1349.7451, 984.579)(1350.7368, 607.4911)(1351.7532, 404.37662)" 1325.7539@7.3955836 FindByFormula + 1325.7539 7.3955836 1325.7632@7.3846006 "(661.87225, 548.4857)(662.3725, 399.66287)(662.8743, 206.35667)(1324.7545, 1391.0499)(1325.7578, 1059.8921)(1326.76, 467.66904)" 1325.7632@7.3846006 FindByFormula - 1325.7632 7.3846006 1326.7408@9.660999 "(664.38116, 5886.2646)(664.88306, 6729.25)(665.38684, 2005.01)" 1326.7408@9.660999 FindByFormula + 1326.7408 9.660999 1326.7751@13.659399 "(1327.7809, 7781.724)(1328.784, 6113.1636)(1329.7903, 3031.538)(1330.7915, 1301.094)" 1326.7751@13.659399 FindByFormula + 1326.7751 13.659399 1326.7771@13.63525 "(1327.7815, 8670.723)(1328.7849, 6961.3)(1329.7896, 3489.1675)(1330.7941, 1510.3624)" 1326.7771@13.63525 FindByFormula + 1326.7771 13.63525 1328.2344@8.660556 "(665.1279, 7049.5205)(665.6303, 4517.407)(666.129, 3301.4424)(666.6267, 1463.3501)(687.1116, 9245.785)(687.6111, 2761.87)(688.1134, 6539.474)(688.60693, 872.6687)(689.11694, 2264.0125)(1329.2372, 8951.599)(1330.24, 6085.144)(1331.2401, 5117.3438)(1332.244, 1893.9049)(684.10425, 40320.94)(684.6014, 3131.6533)(685.1065, 13157.356)(676.1162, 3497.5652)(676.6184, 2331.8613)(677.11597, 1647.6863)(677.6155, 897.605)(695.0985, 989.51)(695.5939, 415.47)(696.0789, 195.15)(1351.2236, 4781.4785)(1352.2234, 3719.3386)(1353.2222, 2354.6626)" 1328.2344@8.660556 FindByFormula + 1328.2344 8.660556 1328.4104@24.1745 "(1329.419, 1292.935)(1330.4265, 1027.515)(1331.4164, 1341.735)" 1328.4104@24.1745 FindByFormula + 1328.4104 24.1745 1328.74@7.8021 "(663.3634, 1349.612)(663.8669, 1022.83215)(664.3625, 457.757)(1327.7329, 547.5266)(1328.7368, 392.08667)" 1328.74@7.8021 FindByFormula - 1328.74 7.8021 1328.7416@7.8116665 "(665.3736, 2495.615)(665.8722, 1454.9551)(666.36536, 1436.65)(687.3634, 1486.64)(687.8574, 636.41)(1329.7374, 2223.2034)(1330.746, 1616.0366)(1331.7446, 1892.05)" 1328.7416@7.8116665 FindByFormula + 1328.7416 7.8116665 1330.7314@8.61625 "(1331.7389, 3131.0825)(1332.7396, 1859.5399)(1333.7402, 1172.25)(1334.7543, 1155.73)" 1330.7314@8.61625 FindByFormula + 1330.7314 8.61625 1332.739@8.925334 "(1333.7357, 15081.461)(1334.7373, 9989.724)(1335.7373, 5140.6934)(1336.746, 2235.0667)(1337.7527, 502.685)(1372.1709, 570.695)(1373.1719, 651.38)(1373.6702, 111.71)" 1332.739@8.925334 FindByFormula + 1332.739 8.925334 1332.82@26.940403 "(1333.8271, 1439.7839)(1334.8312, 903.458)(1335.8359, 483.76202)" 1332.82@26.940403 FindByFormula + 1332.82 26.940403 1333.7053@8.1565 "(1332.7019, 788.97)(1333.7034, 615.145)" 1333.7053@8.1565 FindByFormula - 1333.7053 8.1565 1333.7758@8.93375 "(667.8955, 7339.075)(668.39105, 5046.87)(668.902, 2531.3125)(669.3938, 794.52)" 1333.7758@8.93375 FindByFormula + 1333.7758 8.93375 1334.2498@8.660817 "(1335.2539, 5167.5093)(1336.2561, 3714.67)(1337.2584, 2907.4001)(1357.2395, 26451.7)(1358.241, 17610.08)(1359.2397, 11188.52)(1360.241, 4810.941)(1361.2313, 1631.03)" 1334.2498@8.660817 FindByFormula + 1334.2498 8.660817 1334.4403@9.713333 "(1335.4415, 25564.244)(1336.4457, 13174.094)(1337.4532, 2676.5032)(1338.4531, 865.11)" 1334.4403@9.713333 FindByFormula + 1334.4403 9.713333 1334.7694@9.691999 "(1335.7754, 35093.754)(1336.7781, 9642.689)(1337.7849, 929.615)" 1334.7694@9.691999 FindByFormula + 1334.7694 9.691999 1335.109@9.7115 "(1336.1108, 18754.828)(1337.1135, 3762.475)(1338.1063, 1142.2)(1358.096, 103.17)" 1335.109@9.7115 FindByFormula + 1335.109 9.7115 1335.3486@1.926 "(668.68066, 2218.9849)(669.17993, 1907.23)(669.68915, 1081.385)(1375.304, 672.48)" 1335.3486@1.926 FindByFormula + 1335.3486 1.926 1338.7517@8.9192505 "(670.3781, 24692.332)(670.8796, 17670.049)(671.3822, 7373.6455)(671.87616, 2376.7026)" 1338.7517@8.9192505 FindByFormula + 1338.7517 8.9192505 1339.7756@7.4095 "(1340.7618, 1488.26)(1341.2968, 703.56)(1362.7542, 700.57)(1363.2224, 278.63)(670.899, 3539.4697)(671.3963, 2903.845)(671.89514, 1358.26)(693.8674, 1661.47)(1340.7883, 1394.34)(1341.7588, 399.12)(1342.7594, 274.79)" 1339.7756@7.4095 FindByFormula + 1339.7756 7.4095 1340.0862@9.73 "(671.0559, 1593.6399)(671.5529, 801.26)(1341.0985, 5222.29)(1342.0941, 2031.005)(1343.0945, 704.69)" 1340.0862@9.73 FindByFormula + 1340.0862 9.73 1341.0997@9.620501 "(1342.109, 2521.675)(1343.1125, 1224.975)(1344.1162, 560.065)" 1341.0997@9.620501 FindByFormula + 1341.0997 9.620501 1342.8566@21.998001 "(672.4385, 1627.435)(672.93384, 1080.04)(673.4424, 712.40497)" 1342.8566@21.998001 FindByFormula + 1342.8566 21.998001 1346.5721@20.57 "(674.29224, 658.83)(674.7976, 393.715)" 1346.5721@20.57 FindByFormula + 1346.5721 20.57 1347.7277@7.3827496 "(674.87866, 4512.03)(675.37427, 3334.9475)(675.8817, 1527.795)(1348.7424, 3180.9866)(1349.7495, 2052.6033)(1350.7362, 834.3566)(1386.7092, 447.66998)(1387.6995, 320.74002)(1370.7203, 887.93)(1371.7117, 706.345)(1372.7185, 696.68)" 1347.7277@7.3827496 FindByFormula + 1347.7277 7.3827496 1347.7518@7.397333 "(1346.7336, 1472.5983)(1347.7382, 1049.3534)(1348.7356, 486.29166)" 1347.7518@7.397333 FindByFormula - 1347.7518 7.397333 1348.7787@9.718667 "(1349.7842, 16320.163)(1350.7861, 24016.328)(1351.7902, 4831.33)(1352.8038, 709.03)" 1348.7787@9.718667 FindByFormula + 1348.7787 9.718667 1348.9023@24.914143 "(1349.9086, 3275.716)(1350.9138, 2217.1929)(1351.9138, 1055.1729)(1352.9156, 481.962)" 1348.9023@24.914143 FindByFormula + 1348.9023 24.914143 1349.1122@9.718666 "(675.5579, 3575.37)(676.0439, 576.18)(1350.12, 24708.494)(1351.1168, 13641.243)(1352.125, 2604.78)(1353.1041, 1044.595)" 1349.1122@9.718666 FindByFormula + 1349.1122 9.718666 1349.4457@9.731 "(1350.4524, 22906.385)(1351.4526, 6537.122)(1352.4576, 1093.9366)" 1349.4457@9.731 FindByFormula + 1349.4457 9.731 1350.2212@8.670625 "(1373.2009, 718.405)(1373.6958, 627.7825)(1374.2139, 845.33)(676.1151, 3263.1062)(676.61835, 2283.3276)(677.11646, 1486.9375)(677.61505, 730.3033)(687.1105, 9223.544)(687.60864, 2864.2297)(688.11383, 6527.657)(688.60834, 766.9762)(689.1139, 1976.4313)" 1350.2212@8.670625 FindByFormula + 1350.2212 8.670625 1350.7253@7.804857 "(1349.7148, 975.28864)(1350.7188, 775.7028)(1351.723, 387.04288)" 1350.7253@7.804857 FindByFormula - 1350.7253 7.804857 1352.677@6.4830003 "(677.8551, 216.48999)(1353.6868, 3776.5422)(1354.6919, 2741.752)(1355.6926, 1177.442)(1356.692, 420.09)(1375.6682, 1836.676)(1376.6697, 1292.78)(1377.6788, 540.83)" 1352.677@6.4830003 FindByFormula + 1352.677 6.4830003 1355.6882@7.934667 "(678.8501, 2115.0166)(679.35785, 1330.2733)(679.85376, 842.1167)(680.361, 332.6)(1356.6952, 1513.035)(1357.6987, 1520.4551)(1358.6754, 1516.87)(1379.6675, 1634.41)(1380.6853, 369.75)" 1355.6882@7.934667 FindByFormula + 1355.6882 7.934667 1355.6901@8.384999 "(678.85284, 3418.5635)(679.358, 2245.0935)(679.85754, 1304.215)(680.3574, 384.9)(1356.6919, 1447.75)(1357.697, 1147.755)(1358.6848, 587.28)(1378.6805, 976.06)(1379.6735, 537.16)(1380.6646, 195.15999)" 1355.6901@8.384999 FindByFormula + 1355.6901 8.384999 1356.2402@8.6635 "(679.32153, 873.276)(679.8249, 564.516)(1357.2377, 31802.67)(1358.2412, 21276.072)(1359.2391, 13296.021)(1360.2416, 5582.262)(1361.2352, 2348.8774)" 1356.2402@8.6635 FindByFormula + 1356.2402 8.6635 1357.2365@8.66925 "(1358.2406, 25273.227)(1359.2357, 15218.924)(1360.2383, 6425.0947)(1361.2344, 2132.42)" 1357.2365@8.66925 FindByFormula + 1357.2365 8.66925 1358.2505@6.8915 "(1359.2471, 9492.61)(1359.742, 14069.045)(1360.2402, 11269.016)(680.1299, 29616.67)(680.6321, 34868.707)(681.1305, 9778.895)" 1358.2505@6.8915 FindByFormula + 1358.2505 6.8915 1358.8336@26.9548 "(1359.843, 2001.0559)(1360.8494, 1332.053)(1361.8557, 1334.157)(1362.8628, 610.025)(1363.8691, 263.715)(1397.7985, 442.42)" 1358.8336@26.9548 FindByFormula + 1358.8336 26.9548 1359.7808@6.6590004 "(1360.7909, 4494.5503)(1361.794, 3690.5266)(1362.7994, 1636.9532)(1363.8025, 739.72)(1382.7716, 4410.603)(1383.7758, 3530.4133)(1384.7816, 1307.8167)" 1359.7808@6.6590004 FindByFormula + 1359.7808 6.6590004 1359.8387@26.837887 "(1360.8496, 1337.321)(1361.8557, 1125.5289)(1362.8594, 564.17334)(1363.8594, 362.3725)" 1359.8387@26.837887 FindByFormula + 1359.8387 26.837887 1360.778@8.938875 "(681.3952, 1719.8934)(681.8963, 838.4766)(682.38293, 748.045)(1361.7842, 103629.586)(1362.788, 72130.59)(1363.7905, 31865.951)(1364.7938, 10227.573)(1365.7893, 2890.3557)(700.3725, 2363.1367)(700.8708, 1754.6432)(701.3777, 1427.98)(701.8763, 1083.39)(692.3885, 14970.658)(692.8922, 10221.549)(693.39374, 4574.2544)(693.8954, 2099.292)(694.3911, 693.81665)(1383.7802, 288.87)" 1360.778@8.938875 FindByFormula + 1360.778 8.938875 1360.8511@26.564667 "(1361.8578, 873.9533)(1362.8634, 671.39996)(1363.8694, 330.89334)(1364.8667, 120.31)" 1360.8511@26.564667 FindByFormula + 1360.8511 26.564667 1360.8522@26.953 "(1361.8585, 1909.585)(1362.8639, 1307.4376)(1363.8649, 648.5425)(1364.8759, 206.23665)" 1360.8522@26.953 FindByFormula + 1360.8522 26.953 1362.4911@9.7965 "(1363.4983, 56214.168)(1364.4908, 6003.3203)(1365.4902, 3651.87)" 1362.4911@9.7965 FindByFormula + 1362.4911 9.7965 1363.7114@7.389 "(1386.697, 1984.7051)(1387.7059, 1313.505)" 1363.7114@7.389 FindByFormula + 1363.7114 7.389 1363.7876@9.7465 "(1364.7928, 19645.064)(1365.7899, 11424.355)(1366.7966, 2157.9849)(1367.7834, 785.77)" 1363.7876@9.7465 FindByFormula + 1363.7876 9.7465 1364.1254@9.718667 "(684.0791, 1967.3633)(1365.1272, 27603.006)(1366.1312, 8003.3867)(1367.1249, 1574.7167)" 1364.1254@9.718667 FindByFormula + 1364.1254 9.718667 1364.7958@9.702 "(683.65765, 2138.0898)(684.1609, 1942.3049)(684.4117, 311.86)(1365.7998, 18339.13)(1366.7961, 3150.315)(1367.8083, 2487.64)" 1364.7958@9.702 FindByFormula + 1364.7958 9.702 1367.6162@7.85425 "(1366.6084, 791.06006)(1367.6199, 521.83246)" 1367.6162@7.85425 FindByFormula - 1367.6162 7.85425 1370.8842@24.9685 "(686.44745, 1416.87)(686.9524, 1039.535)(687.4601, 1131.75)(687.9551, 299.18)" 1370.8842@24.9685 FindByFormula + 1370.8842 24.9685 1372.2065@8.6705 "(698.098, 1299.9425)(698.5985, 843.505)(699.1036, 672.09503)(699.5938, 170.82)(1373.2167, 1051.11)(1374.213, 1145.1)(1375.2198, 684.28)(687.1101, 9186.42)(687.6107, 3093.3198)(688.1131, 6620.3096)(688.60583, 836.7725)(689.1151, 2088.3198)(689.6063, 333.075)" 1372.2065@8.6705 FindByFormula + 1372.2065 8.6705 1374.671@6.513 "(688.3451, 1374.605)(688.83997, 940.06995)(689.327, 368.03)(1375.669, 2114.21)(1376.669, 1694.5249)(1377.6792, 709.22)(699.33374, 1665.395)(699.834, 1548.1799)(700.34033, 880.0)" 1374.671@6.513 FindByFormula + 1374.671 6.513 1374.7693@8.641666 "(1375.7607, 2441.9033)(1376.7666, 1868.3734)(1377.7621, 1245.76)(1378.759, 729.9)(1413.7255, 868.98)" 1374.7693@8.641666 FindByFormula + 1374.7693 8.641666 1374.7772@8.973666 "(1373.7692, 681.37)(1374.7725, 516.76)(1375.7687, 470.70334)" 1374.7772@8.973666 FindByFormula - 1374.7772 8.973666 1376.4822@9.709 "(1378.4819, 9180.775)(1399.4714, 5565.015)(1400.469, 4482.22)(1401.4641, 711.91003)" 1376.4822@9.709 FindByFormula + 1376.4822 9.709 1376.7559@8.947667 "(1377.7589, 15174.844)(1378.7611, 9989.29)(1379.7631, 6008.5664)(1380.7665, 2846.8867)(1381.7699, 705.08)" 1376.7559@8.947667 FindByFormula + 1376.7559 8.947667 1376.8058@9.724334 "(1377.8141, 8243.43)(1378.8187, 4822.8667)" 1376.8058@9.724334 FindByFormula + 1376.8058 9.724334 1377.7229@8.762501 "(1376.7168, 1524.06)(1377.7163, 1243.745)" 1377.7229@8.762501 FindByFormula - 1377.7229 8.762501 1377.7609@8.753 "(689.8879, 6820.105)(690.37805, 6074.025)(690.8728, 1983.2549)(1378.7551, 3079.525)(1379.7507, 2120.725)(1380.7645, 635.57)" 1377.7609@8.753 FindByFormula + 1377.7609 8.753 1377.7887@8.964 "(689.90796, 7173.0557)(690.4092, 5020.8823)(690.912, 2321.3777)(691.40326, 410.51)" 1377.7887@8.964 FindByFormula + 1377.7887 8.964 1378.0831@8.677 "(690.0567, 6585.56)(690.5528, 4326.6)(1379.0869, 10463.939)(1380.0859, 3890.3252)(1381.1011, 876.63)(1401.0645, 4401.56)" 1378.0831@8.677 FindByFormula + 1378.0831 8.677 1378.2134@8.668333 "(690.1152, 80363.664)(690.61786, 7904.107)(691.1174, 27128.383)(691.61914, 2256.795)(692.11505, 11780.901)" 1378.2134@8.668333 FindByFormula + 1378.2134 8.668333 1378.3982@8.72 "(1377.3877, 2637.29)(1378.39, 599.31)" 1378.3982@8.72 FindByFormula - 1378.3982 8.72 1378.4619@9.741751 "(1379.4688, 24285.754)(1380.4731, 14305.33)(1381.4797, 2210.9102)(1382.4818, 652.85)" 1378.4619@9.741751 FindByFormula + 1378.4619 9.741751 1378.4952@15.356 "(690.2617, 2345.125)(690.7604, 472.39)(691.2661, 867.015)" 1378.4952@15.356 FindByFormula + 1378.4952 15.356 1378.6879@8.6814995 "(690.355, 4125.05)(690.85046, 2796.685)(691.35657, 1876.2251)(691.8533, 417.63)(1379.6904, 2294.2148)(1380.689, 1364.655)" 1378.6879@8.6814995 FindByFormula + 1378.6879 8.6814995 1378.8142@9.7335 "(1379.8202, 25262.861)(1380.8167, 7339.695)" 1378.8142@9.7335 FindByFormula + 1378.8142 9.7335 1380.2335@8.6405 "(691.124, 21065.9)(691.6251, 1847.515)(692.12134, 7991.5)(692.6406, 1458.2)(693.1215, 1862.65)" 1380.2335@8.6405 FindByFormula + 1380.2335 8.6405 1382.6636@7.6067495 "(1381.6548, 1105.795)(1382.659, 850.865)(1383.6594, 352.46252)" 1382.6636@7.6067495 FindByFormula - 1382.6636 7.6067495 1382.7477@21.249 "(1383.7578, 5238.7246)(1384.7615, 4088.53)(1385.7622, 1560.585)(1405.7224, 702.14)(1406.7451, 504.91)" 1382.7477@21.249 FindByFormula + 1382.7477 21.249 1382.7502@21.249 "(1383.7598, 4222.9854)(1384.7637, 2951.3901)(1385.7644, 1010.515)(1386.7552, 264.1)(1405.7432, 500.11)(1406.7378, 616.56)" 1382.7502@21.249 FindByFormula + 1382.7502 21.249 1382.7736@8.958 "(692.38873, 22795.4)(692.893, 15439.912)(693.39197, 7127.915)(693.8883, 2381.9426)" 1382.7736@8.958 FindByFormula + 1382.7736 8.958 1383.8334@1.2245 "(692.9221, 3264.085)(693.41675, 3322.3398)(693.9227, 1079.74)(1384.8292, 3190.03)" 1383.8334@1.2245 FindByFormula + 1383.8334 1.2245 1384.6534@6.513 "(693.33093, 2836.9502)(693.8332, 1943.395)(694.3351, 967.585)" 1384.6534@6.513 FindByFormula + 1384.6534 6.513 1392.072@7.8715 "(1393.0745, 533.87)(1394.0885, 197.845)" 1392.072@7.8715 FindByFormula + 1392.072 7.8715 1392.9249@24.848625 "(1393.936, 2430.6438)(1394.9388, 1846.915)(1395.943, 730.4149)(1396.9395, 387.95334)" 1392.9249@24.848625 FindByFormula + 1392.9249 24.848625 1393.1396@9.73725 "(1394.1504, 30268.6)(1395.1516, 17889.055)(1396.1761, 3840.68)" 1393.1396@9.73725 FindByFormula + 1393.1396 9.73725 1393.474@9.717 "(1394.4773, 27345.203)(1395.4795, 8312.59)(1396.4841, 1357.58)" 1393.474@9.717 FindByFormula + 1393.474 9.717 1393.8062@9.7255 "(1394.8125, 24238.486)(1395.81, 5420.525)(1396.8154, 607.295)" 1393.8062@9.7255 FindByFormula + 1393.8062 9.7255 1394.7596@13.594001 "(1395.7697, 3863.1765)(1396.7762, 3313.4968)(1397.7728, 2004.4899)(1398.7638, 823.25)(1417.7476, 795.96)" 1394.7596@13.594001 FindByFormula + 1394.7596 13.594001 1394.825@6.7092004 "(698.41327, 8875.174)(698.9191, 2229.0535)(699.4127, 5924.41)(720.3997, 6788.6133)(720.90546, 1989.4332)(721.4006, 2363.7268)(721.8948, 357.67334)(722.3949, 400.925)(1395.824, 1832.3779)(1396.8213, 1684.3701)(1397.8346, 925.5781)(1398.8507, 240.04501)(709.40704, 1369.9434)(709.9117, 1125.9233)(710.40607, 872.2233)(1433.8018, 513.645)(1434.802, 293.72)(1417.8118, 9038.341)(1418.8165, 6931.6406)(1419.819, 3077.592)(1420.8068, 597.395)" 1394.825@6.7092004 FindByFormula + 1394.825 6.7092004 1394.8347@6.6961665 "(1393.8234, 1010.99335)(1394.8253, 787.33)" 1394.8347@6.6961665 FindByFormula - 1394.8347 6.6961665 1395.7941@26.909 "(1396.7991, 1743.6951)(1397.8059, 884.585)(1398.8049, 433.49)" 1395.7941@26.909 FindByFormula + 1395.7941 26.909 1397.8223@6.500666 "(699.9168, 2247.6199)(700.41864, 2072.6133)(700.91815, 542.1567)(721.9028, 3923.0)(722.4003, 2575.9666)(722.90717, 1417.61)(723.40247, 835.825)(1398.8237, 1324.0599)(1399.8304, 754.94)(1400.8287, 529.7166)(1401.8402, 289.01)(719.05646, 601.83)(719.5478, 357.34)(719.9132, 254.41)(710.9119, 3329.89)(711.40814, 2542.6633)(711.91095, 963.24335)(712.431, 227.95999)(1436.7803, 493.31)(1437.787, 660.7)(1420.8151, 9370.837)(1421.8165, 7121.0034)(1422.8168, 3092.5134)(1423.8219, 1075.9467)(1424.8403, 897.07)" 1397.8223@6.500666 FindByFormula + 1397.8223 6.500666 1397.8256@6.4960003 "(1396.8157, 938.545)(1397.8167, 740.21)" 1397.8256@6.4960003 FindByFormula - 1397.8256 6.4960003 1397.8324@8.556667 "(1396.8265, 730.0967)(1397.8286, 581.01)" 1397.8324@8.556667 FindByFormula - 1397.8324 8.556667 1397.8335@8.512333 "(1396.8267, 923.88007)(1397.8295, 759.2)" 1397.8335@8.512333 FindByFormula - 1397.8335 8.512333 1398.4647@9.725 "(701.2394, 3569.7)(701.7332, 2543.1)(1399.4723, 8416.59)(1400.467, 5057.04)(1401.4684, 1111.995)" 1398.4647@9.725 FindByFormula + 1398.4647 9.725 1398.7397@6.8615 "(1438.1862, 819.67)(700.3756, 1404.2849)(700.86865, 799.06995)(722.36127, 4396.5547)(722.85657, 1007.77)(1399.7341, 3270.605)(1400.7329, 2025.7649)(1401.7253, 905.165)(711.37, 1186.2749)(711.8655, 1331.53)(1421.72, 1971.0449)(1422.7162, 1819.74)" 1398.7397@6.8615 FindByFormula + 1398.7397 6.8615 1398.7423@8.959499 "(700.37524, 5823.46)(700.8799, 4040.3398)(701.3804, 2720.5)" 1398.7423@8.959499 FindByFormula + 1398.7423 8.959499 13-Deoxytedanolide "13-Deoxytedanolide [ C32 H50 O10, db=65.91, tgt=, overall=65.91, CAS ID=134455-11-1, KEGG ID=C16861, METLIN ID=71393 ]" 134455-11-1 "(617.3283, 1626.5488)(618.33215, 705.12)" 13-Deoxytedanolide FindByFormula + C16861 616.3232 12.91125 "14,15-HxA3-D(11S)" "14,15-HxA3-D(11S) [ C25 H42 N2 O7 S, db=74.77, tgt=, overall=74.77, Lipid ID=LMFA03090009, METLIN ID=75058 ]" "(513.26514, 14912.145)(514.2716, 3892.255)(515.27527, 717.83997)" "14,15-HxA3-D(11S)" FindByFormula - LMFA03090009 514.2711 9 140.0625@0.949 "(141.0685, 8021.475)(142.06851, 510.33002)" 140.0625@0.949 FindByFormula + 140.0625 0.949 1400.7655@19.645 "(1401.7689, 4647.22)(1402.7705, 3397.2598)(1403.7726, 1275.86)(1404.7743, 914.425)(1423.7461, 372.685)" 1400.7655@19.645 FindByFormula + 1400.7655 19.645 1400W "1400W [ C10 H15 N3, db=87.45, tgt=, overall=87.45, CAS ID=214358-33-5, METLIN ID=62976 ]" 214358-33-5 "(178.13382, 5717.96)(179.13626, 655.568)" 1400W FindByFormula + 177.1268 4.5978003 1400W + 4.5978003 "1400W [ C10 H15 N3, db=87.45, tgt=, overall=87.45, CAS ID=214358-33-5, METLIN ID=62976 ]" 214358-33-5 "(178.13382, 5717.96)(179.13626, 655.568)" 1400W + 4.5978003 FindByFormula + 177.1266 4.5978003 1400W + 4.88325 "1400W [ C10 H15 N3, db=87.20, tgt=, overall=87.20, CAS ID=214358-33-5, METLIN ID=62976 ]" 214358-33-5 "(178.13396, 5897.773)(179.13623, 682.6616)" 1400W + 4.88325 FindByFormula + 177.1267 4.88325 1400W + 4.8968463 "1400W [ C10 H15 N3, db=87.43, tgt=, overall=87.43, CAS ID=214358-33-5, METLIN ID=62976 ]" 214358-33-5 "(178.13394, 5695.2686)(179.13637, 646.1269)" 1400W + 4.8968463 FindByFormula + 177.1266 4.8968463 1405.8278@9.725 "(1407.3356, 9655.73)(1407.8234, 14166.33)(1428.8192, 7329.965)(1429.8237, 5331.42)(1430.8364, 2090.245)" 1405.8278@9.725 FindByFormula + 1405.8278 9.725 1406.0952@8.998668 "(1407.0961, 904.5633)(1408.1036, 549.87)" 1406.0952@8.998668 FindByFormula + 1406.0952 8.998668 1406.8109@26.743 "(1405.7968, 5643.315)(1406.8013, 4296.715)(1407.8024, 1975.7051)(1408.8064, 660.685)" 1406.8109@26.743 FindByFormula - 1406.8109 26.743 1407.6687@6.7186666 "(704.8438, 12881.637)(705.3474, 9891.94)(705.84625, 4801.1333)(706.34644, 1480.3)(706.8447, 194.28)(726.8248, 5433.0703)(727.33276, 5021.77)(727.8335, 1911.275)(728.3422, 1767.54)(1408.676, 3974.08)(1409.6814, 2742.115)(1410.6826, 1292.8201)(1411.6837, 336.05)(723.822, 2991.355)(724.33276, 2076.63)(724.8322, 1303.435)(715.83636, 26958.98)(716.3407, 20694.238)(716.83875, 9510.49)(717.342, 4721.285)(717.8382, 1348.7351)(734.8141, 2463.01)(735.3164, 1767.04)(1430.6538, 1915.28)(1431.6531, 1362.69)(1432.6504, 550.1)" 1407.6687@6.7186666 FindByFormula + 1407.6687 6.7186666 1407.8193@9.75425 "(1408.8197, 21207.264)(1409.8201, 12726.207)(1410.819, 2855.805)(1411.8091, 2359.17)" 1407.8193@9.75425 FindByFormula + 1407.8193 9.75425 1408.484@9.7335 "(1409.4883, 31421.45)(1410.4895, 7542.1953)(1411.4825, 1730.895)" 1408.484@9.7335 FindByFormula + 1408.484 9.7335 1408.9233@21.750666 "(1409.9303, 1066.8267)(1410.9313, 619.73)(1411.9283, 390.31998)" 1408.9233@21.750666 FindByFormula + 1408.9233 21.750666 1411.7275@8.893499 "(706.8716, 4565.665)(707.37177, 2734.04)(707.87445, 1725.465)" 1411.7275@8.893499 FindByFormula + 1411.7275 8.893499 1411.9868@14.804 "(1412.9802, 6213.11)(1413.9869, 5659.04)(1414.9888, 2558.405)(1415.981, 1038.635)(1416.9934, 176.19)" 1411.9868@14.804 FindByFormula + 1411.9868 14.804 1412.7972@26.942 "(1413.8043, 1952.2633)(1414.8085, 1497.9033)(1415.8102, 661.6767)(1416.8076, 457.23)" 1412.7972@26.942 FindByFormula + 1412.7972 26.942 1412.8018@20.034 "(1413.8057, 6371.71)(1414.8113, 4361.3)(1415.8174, 2226.3)" 1412.8018@20.034 FindByFormula + 1412.8018 20.034 1414.2189@6.822428 "(1415.216, 2137.51)(1415.7201, 3447.6902)(1416.2191, 2452.673)(1416.7164, 1449.11)(708.1149, 6106.0825)(708.61664, 7192.837)(709.1133, 1750.6029)(709.60425, 490.27502)(1415.2134, 1217.3367)(1416.2152, 1218.0033)(1417.2067, 407.84)" 1414.2189@6.822428 FindByFormula + 1414.2189 6.822428 1414.7166@6.8289995 "(1445.6776, 1154.2499)(1446.1805, 712.1501)(708.36566, 9362.169)(708.86804, 4664.6055)(709.36707, 1777.1744)(709.87256, 771.638)" 1414.7166@6.8289995 FindByFormula + 1414.7166 6.8289995 1416.7987@6.7029996 "(709.4101, 952.23)(709.913, 634.065)(710.3976, 324.93)(731.39087, 1333.785)(731.8932, 896.85004)(732.3884, 358.01)(1417.8135, 5357.467)(1418.8174, 3778.6965)(1419.8207, 1776.2334)(1420.8044, 554.32)(720.3983, 3413.525)(720.9006, 797.995)(721.39996, 1337.345)(1439.7968, 3706.4531)(1440.7983, 3292.33)(1441.8018, 1354.5366)(1442.7993, 609.555)" 1416.7987@6.7029996 FindByFormula + 1416.7987 6.7029996 1418.7803@8.795001 "(1419.7875, 2838.8)(1420.7936, 2108.7334)(1421.7837, 1239.48)(1422.7865, 233.36)" 1418.7803@8.795001 FindByFormula + 1418.7803 8.795001 1419.8057@6.4982495 "(711.0764, 2994.0234)(711.40625, 3257.625)(1420.8137, 7552.915)(1421.8171, 5825.205)(1422.8108, 2571.24)(1423.818, 912.0534)(721.90326, 3651.43)(722.40405, 2560.46)(722.9028, 1246.5067)(1442.7971, 7267.83)(1443.7982, 5547.7954)(1444.7968, 2252.8674)(1445.7855, 1095.83)" 1419.8057@6.4982495 FindByFormula + 1419.8057 6.4982495 1419.8083@6.4484286 "(710.9129, 1959.11)(711.4116, 1363.39)(1420.8134, 5144.1274)(1421.8192, 3877.3801)(1422.8174, 1804.2971)(1423.815, 330.885)(721.9049, 1894.41)(722.4107, 1383.41)(722.9131, 726.78)(1442.7985, 5300.355)(1443.7999, 4137.1304)(1444.7965, 1696.9418)(1445.8003, 390.79498)" 1419.8083@6.4484286 FindByFormula + 1419.8083 6.4484286 1419.8121@7.5655003 "(710.9127, 567.14)(711.4103, 587.49)" 1419.8121@7.5655003 FindByFormula + 1419.8121 7.5655003 142.0763@7.1559997 "(143.08122, 1627.2571)(144.08107, 92.761665)(181.03796, 804.98004)(165.06345, 12982.65)(166.06885, 903.088)(167.07018, 183.98999)" 142.0763@7.1559997 FindByFormula + 142.0763 7.1559997 142.0766@7.7736664 "(143.0813, 239.655)(181.03658, 381.43002)(165.06374, 6295.3804)(166.06871, 563.31)(167.0671, 73.72)" 142.0766@7.7736664 FindByFormula + 142.0766 7.7736664 142.9891@27.629002 "(143.99615, 2247.43)(145.00005, 320.375)" 142.9891@27.629002 FindByFormula + 142.9891 27.629002 142.9899@27.245832 "(143.99687, 5612.756)(144.99649, 477.03418)(145.99332, 307.374)" 142.9899@27.245832 FindByFormula + 142.9899 27.245832 142.9899@27.341864 "(143.99687, 5240.7915)(144.99536, 329.17685)(145.99565, 170.55002)" 142.9899@27.341864 FindByFormula + 142.9899 27.341864 142.99@28.0616 "(143.99681, 1720.4958)(144.99731, 97.71)" 142.99@28.0616 FindByFormula + 142.99 28.0616 1420.692@8.368 "(711.3573, 2514.33)(711.8555, 1660.55)(712.3626, 946.75)(712.8425, 530.43)(733.3425, 4181.18)(733.8462, 2197.39)(1421.6843, 1661.755)(1422.691, 1416.34)(1423.6938, 648.865)(1459.6606, 928.94)(1460.6425, 1253.11)(1443.6699, 4731.515)(1444.6814, 3078.1548)(1445.677, 2223.065)(1446.6923, 268.45)" 1420.692@8.368 FindByFormula + 1420.692 8.368 1420.7029@6.8693333 "(711.3637, 815.82)(711.8589, 792.81)(1421.7168, 1740.36)(1422.706, 1401.14)" 1420.7029@6.8693333 FindByFormula + 1420.7029 6.8693333 1420.783@8.980666 "(1421.7861, 14593.013)(1422.7882, 10820.09)(1423.789, 6298.4233)(1424.7894, 2563.86)(1425.7858, 979.7033)" 1420.783@8.980666 FindByFormula + 1420.783 8.980666 1420.8444@14.776501 "(1421.8539, 758.09)(1422.8657, 564.83)(1443.8324, 7153.05)(1444.8346, 5912.92)(1445.8405, 3317.4)(1446.8279, 1524.08)" 1420.8444@14.776501 FindByFormula + 1420.8444 14.776501 1421.7817@8.9625 "(1422.7896, 12004.018)(1423.7938, 6511.9976)(1424.7898, 2114.6174)" 1421.7817@8.9625 FindByFormula + 1421.7817 8.9625 1421.8379@8.982 "(711.9236, 5856.3047)(712.4231, 4194.71)(712.92725, 1990.99)(713.4114, 824.15)" 1421.8379@8.982 FindByFormula + 1421.8379 8.982 1422.4911@9.746333 "(1423.497, 32803.863)(1424.4962, 20213.01)(1425.5055, 3825.8167)(1426.4934, 661.95)" 1422.4911@9.746333 FindByFormula + 1422.4911 9.746333 1423.155@9.7715 "(713.0945, 1335.5549)(713.1112, 490.15)(713.5943, 600.84)(1424.1626, 20342.635)(1425.1672, 3788.305)(1426.158, 719.04004)" 1423.155@9.7715 FindByFormula + 1423.155 9.7715 1426.1553@7.9965 "(714.08234, 2586.76)(714.5907, 484.86)(715.0853, 539.205)" 1426.1553@7.9965 FindByFormula + 1426.1553 7.9965 1426.7938@8.983999 "(714.4033, 44887.965)(714.9046, 31403.477)(715.40466, 14246.256)(715.9089, 5343.395)(716.4015, 1296.425)" 1426.7938@8.983999 FindByFormula + 1426.7938 8.983999 1426.8488@9.007 "(1427.8569, 935.41003)(1465.8099, 17708.023)(1466.8124, 13348.609)(1467.8148, 7165.5)(1468.8145, 2860.3098)(1469.7931, 973.86)" 1426.8488@9.007 FindByFormula + 1426.8488 9.007 1427.7502@7.8335 "(714.8853, 6389.645)(715.3838, 5654.37)(715.8869, 856.57)(1428.75, 2364.79)(1429.7488, 1353.085)(725.8694, 2778.46)(726.3784, 885.45)" 1427.7502@7.8335 FindByFormula + 1427.7502 7.8335 1428.1443@9.78 "(715.0831, 1978.0499)(715.57666, 1230.145)(716.0573, 212.98)(1429.1531, 5401.5703)(1430.1517, 1775.29)(1431.171, 768.44495)(1432.1393, 118.24)(726.0822, 2020.105)(726.56604, 786.70496)" 1428.1443@9.78 FindByFormula + 1428.1443 9.78 1428.7922@26.871143 "(715.397, 996.43)(715.90076, 890.01)(1429.8008, 14627.802)(1430.8025, 11271.6045)(1431.8069, 5132.553)(1432.8032, 2887.72)(1451.7725, 733.2)(1452.7842, 949.84)(1453.7714, 535.21)(1454.7521, 142.93)" 1428.7922@26.871143 FindByFormula + 1428.7922 26.871143 1428.7948@26.921001 "(715.3989, 1639.92)(715.8993, 1482.86)(716.408, 1042.11)(1429.8003, 24155.172)(1430.8035, 18360.672)(1431.8091, 8556.636)(1432.8049, 2776.2375)(1433.8092, 3211.65)(1451.779, 8717.46)(1452.7837, 6345.67)(1453.791, 3011.7)(1454.7913, 1316.79)" 1428.7948@26.921001 FindByFormula + 1428.7948 26.921001 143.0737@6.8374996 "(144.0809, 5386.7)(145.0841, 368.97)" 143.0737@6.8374996 FindByFormula + 143.0737 6.8374996 143.0951@1.4496666 "(144.10161, 2143.4434)(145.1039, 222.26001)" 143.0951@1.4496666 FindByFormula + 143.0951 1.4496666 1435.5088@9.752 "(1436.5162, 7782.8667)(1437.5175, 4804.683)" 1435.5088@9.752 FindByFormula + 1435.5088 9.752 1436.9569@24.7575 "(1437.9618, 3178.4448)(1438.9652, 2578.875)(1439.9675, 1569.035)(1440.9773, 414.335)" 1436.9569@24.7575 FindByFormula + 1436.9569 24.7575 1437.1724@9.768499 "(1438.1719, 21182.002)(1439.1704, 13768.967)(1440.1758, 2331.3674)(1441.201, 1109.2151)" 1437.1724@9.768499 FindByFormula + 1437.1724 9.768499 1437.5035@9.7455 "(720.60077, 1964.1234)(720.7623, 2009.68)(1438.5068, 30162.664)(1439.5051, 9964.628)(1440.515, 1913.0875)" 1437.5035@9.7455 FindByFormula + 1437.5035 9.7455 1437.6956@6.76525 "(1460.6887, 6408.4697)(1461.6904, 2564.91)(1462.6942, 665.54)(1463.699, 296.95502)" 1437.6956@6.76525 FindByFormula + 1437.6956 6.76525 1438.1649@9.752999 "(1439.1747, 12963.267)(1440.1675, 2329.8367)(1441.1823, 661.515)(1477.1292, 407.32)" 1438.1649@9.752999 FindByFormula + 1438.1649 9.752999 1438.783@6.69975 "(720.3977, 2120.1633)(720.90454, 484.15332)(721.39233, 857.92)(1439.7915, 6806.545)(1440.7944, 5262.5576)(1441.7948, 3052.6367)(1442.7975, 598.20667)" 1438.783@6.69975 FindByFormula + 1438.783 6.69975 1441.7858@6.455667 "(1442.7933, 9026.363)(1443.7994, 6806.8066)(1444.7997, 2793.6367)(1445.7974, 1507.08)" 1441.7858@6.455667 FindByFormula + 1441.7858 6.455667 1442.4916@9.752667 "(1443.4977, 6304.09)(1444.4995, 4393.5337)(1445.5184, 1299.7968)(1446.4895, 362.44)" 1442.4916@9.752667 FindByFormula + 1442.4916 9.752667 1442.5337@14.7875 "(722.27515, 1884.34)(722.775, 364.245)(723.2792, 850.24)" 1442.5337@14.7875 FindByFormula + 1442.5337 14.7875 1443.8632@9.0 "(1444.877, 6643.12)(1445.8799, 4648.0503)(1446.8826, 2305.49)(1447.8967, 801.6)" 1443.8632@9.0 FindByFormula + 1443.8632 9 1444.7675@26.895332 "(723.38916, 1200.815)(723.88855, 818.66003)(724.39435, 584.16003)(1445.7748, 4421.14)(1446.7725, 3510.21)(1447.7842, 1919.51)(1448.7664, 670.37)" 1444.7675@26.895332 FindByFormula + 1444.7675 26.895332 1448.8336@9.010875 "(725.42584, 1315.7001)(725.9249, 588.97)(726.4101, 360.565)(726.9209, 190.2)(1449.8367, 83973.195)(1450.8396, 61266.613)(1451.8395, 27820.355)(1452.8391, 11164.943)(1453.8456, 3822.8083)(1454.8447, 850.32495)(744.3995, 3809.04)(744.90576, 2293.38)(745.40393, 1804.025)(745.9029, 974.475)(736.4123, 14999.096)(736.9141, 11247.297)(737.41144, 5059.9463)(737.9165, 2848.2349)(738.4259, 1620.8049)" 1448.8336@9.010875 FindByFormula + 1448.8336 9.010875 145.0203@1.0191667 "(146.02798, 16195.255)(147.02797, 1154.91)(168.0077, 544.02)" 145.0203@1.0191667 FindByFormula + 145.0203 1.0191667 1450.6775@8.013857 "(726.34564, 19452.984)(726.8452, 14736.654)(727.35095, 7394.311)(727.85, 2867.9558)(728.34814, 445.19003)(1451.6841, 3364.5984)(1452.684, 2664.3215)(1453.6938, 1455.1016)(1454.6859, 598.81665)(745.98895, 924.6433)(745.8302, 759.53)(746.3261, 451.25)(737.3415, 2718.68)(737.8379, 1666.195)(738.3474, 1617.4149)(1489.6277, 398.19748)(1490.661, 466.71)(756.3184, 877.75)(756.8004, 903.48)(1473.6683, 1760.4634)(1474.6758, 1718.3834)(1475.6614, 1407.95)" 1450.6775@8.013857 FindByFormula + 1450.6775 8.013857 1450.7188@7.9993997 "(726.3583, 12936.743)(726.8563, 9971.803)(727.36566, 4416.482)(727.85913, 1822.0325)(728.3782, 511.81)(1451.6959, 3359.1926)(1452.701, 2396.05)(1453.7007, 970.41003)(1454.7285, 389.59998)(1473.6683, 238.44)(1474.6895, 59.56)" 1450.7188@7.9993997 FindByFormula + 1450.7188 7.9993997 1450.7709@26.710499 "(1451.7827, 6492.055)(1452.7852, 4926.2803)(1453.7881, 2448.97)(1454.7863, 1077.46)(1455.7802, 576.09)(1473.7666, 549.675)(1474.7579, 1120.22)(1475.7529, 651.51)" 1450.7709@26.710499 FindByFormula + 1450.7709 26.710499 1450.7969@7.362 "(748.385, 1239.12)(748.8869, 674.47)(737.3982, 5543.24)(737.89905, 3753.5298)(738.395, 1788.39)(738.8895, 226.71)(1473.7855, 1299.35)(1474.7964, 1319.52)(1475.7827, 474.31)" 1450.7969@7.362 FindByFormula + 1450.7969 7.362 1451.7074@7.9605 "(726.859, 14005.945)(727.3669, 5752.8203)(727.8651, 2513.415)(1452.7128, 3966.305)" 1451.7074@7.9605 FindByFormula + 1451.7074 7.9605 1451.8206@8.366 "(1450.8143, 881.005)(1451.8112, 775.74)" 1451.8206@8.366 FindByFormula - 1451.8206 8.366 1451.8466@9.763333 "(726.9446, 1377.48)(727.4291, 860.9)(1452.8473, 23937.686)(1453.849, 15891.483)(1454.8507, 3372.25)(1455.8352, 1007.16003)" 1451.8466@9.763333 FindByFormula + 1451.8466 9.763333 1452.1752@9.757667 "(728.7619, 3012.1465)(728.6069, 502.87)(729.0987, 780.14)(1453.181, 33254.676)(1454.1825, 11083.036)(1455.1918, 1892.29)" 1452.1752@9.757667 FindByFormula + 1452.1752 9.757667 1452.5078@9.766 "(1453.5154, 23054.42)(1454.5153, 4883.2)(1455.501, 1384.91)" 1452.5078@9.766 FindByFormula + 1452.5078 9.766 1452.8434@9.757667 "(1453.8488, 17477.771)(1454.8475, 3129.6602)(1455.8306, 925.8933)" 1452.8434@9.757667 FindByFormula + 1452.8434 9.757667 1453.178@9.780001 "(728.1059, 1507.67)(728.6048, 993.1)(1454.1844, 9718.814)(1455.1855, 1479.55)(1456.1703, 522.20496)" 1453.178@9.780001 FindByFormula + 1453.178 9.780001 1456.7297@13.5435 "(1457.739, 1733.01)(1458.7368, 1592.885)(1459.7405, 996.36)" 1456.7297@13.5435 FindByFormula + 1456.7297 13.5435 1458.9541@24.807999 "(730.48505, 1611.23)(730.9767, 981.095)" 1458.9541@24.807999 FindByFormula + 1458.9541 24.807999 1459.6824@6.794 "(1460.6888, 6631.4067)(1461.6881, 2558.0933)(1462.6898, 721.8833)(1463.6932, 116.8)" 1459.6824@6.794 FindByFormula + 1459.6824 6.794 1459.6827@6.794 "(1460.6886, 6654.9165)(1461.6885, 2592.2966)(1462.6898, 721.8833)(1463.6932, 116.8)" 1459.6827@6.794 FindByFormula + 1459.6827 6.794 1462.809@8.7325 "(1463.8181, 2363.675)(1464.8213, 2131.42)" 1462.809@8.7325 FindByFormula + 1462.809 8.7325 1464.8622@9.764001 "(1465.8739, 5985.6333)(1466.8754, 3796.8499)(1487.8574, 5748.3633)(1488.8546, 2510.26)(1489.8615, 1144.2134)" 1464.8622@9.764001 FindByFormula + 1464.8622 9.764001 1465.6813@7.2774997 "(733.8549, 2208.9934)(734.3698, 1234.9)(734.8678, 442.735)(1466.6924, 11479.598)(1467.698, 7728.3022)(1468.7012, 3784.9102)(1469.7031, 1923.5967)(1504.6464, 878.51)(1488.6838, 2452.1948)(1489.7031, 1834.955)" 1465.6813@7.2774997 FindByFormula + 1465.6813 7.2774997 1465.6844@7.2716002 "(732.08234, 1371.4651)(732.3372, 880.25)(1464.6787, 929.304)(1465.6808, 672.336)" 1465.6844@7.2716002 FindByFormula - 1465.6844 7.2716002 1465.8584@9.0125 "(733.93616, 8368.6)(734.435, 6327.5977)(734.9398, 2865.1875)(735.43115, 1411.0499)(735.9149, 421.395)" 1465.8584@9.0125 FindByFormula + 1465.8584 9.0125 1466.5162@9.77025 "(1467.5239, 23886.078)(1468.5242, 16221.125)(1469.5197, 2782.0974)(1470.5286, 794.875)" 1466.5162@9.77025 FindByFormula + 1466.5162 9.77025 1467.5166@9.7505 "(1468.5264, 25302.469)(1469.5223, 4292.835)" 1467.5166@9.7505 FindByFormula + 1467.5166 9.7505 1467.7524@6.5243335 "(734.8813, 3117.65)(735.3866, 2304.34)(735.8899, 416.09)(1468.7477, 1911.18)(1469.7587, 1491.1234)(1470.7609, 1161.9434)(745.8744, 2722.115)(746.379, 2450.125)(746.87695, 718.51)" 1467.7524@6.5243335 FindByFormula + 1467.7524 6.5243335 1467.7625@6.4989996 "(734.88544, 3212.875)(735.3865, 1832.35)(735.88837, 539.41003)(1468.751, 2124.78)(1469.7631, 1722.05)(1470.7627, 1228.9551)" 1467.7625@6.4989996 FindByFormula + 1467.7625 6.4989996 1468.6205@6.9293327 "(1469.6315, 2331.6467)(1470.6364, 1775.9434)(1471.6328, 837.5733)" 1468.6205@6.9293327 FindByFormula + 1468.6205 6.9293327 147.1686@3.8016665 "(148.17636, 7711.56)(149.1775, 627.9167)" 147.1686@3.8016665 FindByFormula + 147.1686 3.8016665 1470.5151@15.2005005 "(736.2615, 2600.29)(736.76575, 859.09)(737.2635, 1154.925)" 1470.5151@15.2005005 FindByFormula + 1470.5151 15.2005005 1470.763@8.387 "(737.3667, 3569.66)(1471.7317, 810.88)(1472.7302, 1017.82)(747.3824, 2678.83)(747.8786, 1411.48)(748.3919, 917.76)" 1470.763@8.387 FindByFormula + 1470.763 8.387 1470.8124@9.01 "(736.4123, 24589.32)(736.9157, 18763.832)(737.4166, 8570.4375)(737.9169, 3191.296)" 1470.8124@9.01 FindByFormula + 1470.8124 9.01 1470.863@1.1939999 "(736.4357, 5902.7305)(736.94116, 4650.4434)(737.4404, 2355.4834)(737.947, 1495.45)(758.4188, 2701.49)(758.9119, 833.79)(759.3947, 43.46)(1471.866, 6435.03)(1472.8672, 5675.08)(1473.8654, 2654.33)(1474.8787, 957.06)(747.4262, 3193.4648)(747.93335, 2194.77)(748.41943, 2096.7651)(748.9342, 551.175)(1509.817, 1731.79)(1510.8236, 1435.26)(1511.831, 791.09)(766.411, 1077.19)(766.8982, 386.2)(767.407, 1684.41)(1493.8488, 6613.18)(1494.8523, 5434.79)(1495.851, 2523.99)(1496.8607, 849.82)" 1470.863@1.1939999 FindByFormula + 1470.863 1.1939999 1470.8638@1.9146667 "(736.43536, 2203.8665)(736.9375, 1705.8966)(737.43896, 1169.6133)(758.4225, 2496.73)(758.9252, 1679.83)(759.4244, 1278.85)(747.4303, 1769.235)(747.9309, 1305.355)(748.43054, 786.985)(748.929, 519.22)(766.9111, 194.84)" 1470.8638@1.9146667 FindByFormula + 1470.8638 1.9146667 1472.7678@6.508 "(737.39136, 4082.3198)(737.89935, 2821.28)(738.39087, 1540.6749)(1473.7819, 2304.5)(1474.7869, 2032.9451)(1475.7844, 913.81995)(748.3867, 2992.38)(748.8879, 2115.25)(749.3961, 1495.83)(749.9035, 549.45)" 1472.7678@6.508 FindByFormula + 1472.7678 6.508 1472.7747@7.3476663 "(737.39764, 3622.0403)(737.9009, 3043.3767)(738.39374, 883.0534)(1473.7896, 2000.4641)(1474.7865, 1730.99)(1475.7852, 1034.0775)(1476.812, 566.17)(748.3919, 1091.53)(748.89087, 1490.935)(749.3878, 523.68)(1511.7202, 941.45)(1512.722, 1173.17)(1513.7206, 995.76)(1495.7786, 432.3)(1496.7483, 319.51)(1497.7532, 453.97)" 1472.7747@7.3476663 FindByFormula + 1472.7747 7.3476663 1473.8358@9.796499 "(737.9238, 3560.865)(738.4177, 2492.01)(738.9274, 1127.405)(1476.834, 1254.18)(1477.8649, 899.08)" 1473.8358@9.796499 FindByFormula + 1473.8358 9.796499 1474.825@6.866 "(738.4145, 4727.86)(738.925, 3900.81)(739.4141, 1777.14)(760.4042, 2701.28)(760.9057, 1215.4)(1475.8342, 2083.395)(1476.8425, 1855.895)(1477.846, 965.27)(749.4101, 2911.54)(749.91833, 2920.86)(750.4069, 2783.43)" 1474.825@6.866 FindByFormula + 1474.825 6.866 1477.8259@4.736 "(1478.8337, 5762.34)(1479.8354, 2395.385)(1480.8367, 797.875)" 1477.8259@4.736 FindByFormula + 1477.8259 4.736 1477.8279@4.736 "(1478.8337, 5762.34)(1479.8354, 2395.385)(1480.8367, 797.875)" 1477.8279@4.736 FindByFormula + 1477.8279 4.736 1478.5315@9.733 "(1479.5322, 28439.379)(1480.5312, 42911.957)(1481.5234, 14359.194)" 1478.5315@9.733 FindByFormula + 1478.5315 9.733 1480.9775@24.6815 "(1481.9851, 1544.4501)(1482.9899, 796.04004)(1483.9972, 398.1)" 1480.9775@24.6815 FindByFormula + 1480.9775 24.6815 1481.5262@9.774667 "(1482.5323, 26595.54)(1483.5331, 9975.16)(1484.5322, 2541.0134)(1485.5236, 1143.2367)" 1481.5262@9.774667 FindByFormula + 1481.5262 9.774667 1481.6866@1.5496668 "(741.8609, 817.26)(742.3496, 619.86)(763.83594, 1540.71)(764.3361, 1335.0333)(764.83295, 481.78665)(765.3422, 25.76)(752.84357, 2336.0566)(753.3486, 1698.9066)(753.84326, 971.49664)" 1481.6866@1.5496668 FindByFormula + 1481.6866 1.5496668 1482.1895@9.8055 "(742.12555, 675.495)(742.6247, 627.05005)(1483.2043, 13418.305)(1484.2041, 2683.21)(1485.2114, 672.42)" 1482.1895@9.8055 FindByFormula + 1482.1895 9.8055 1482.2423@7.2425 "(742.1321, 1294.05)(742.63336, 1017.46497)(743.1323, 355.85)(1483.2562, 181.78)(1484.2465, 170.65)" 1482.2423@7.2425 FindByFormula + 1482.2423 7.2425 1482.7051@7.079 "(1483.7153, 2133.275)(1484.7107, 1882.31)(1485.7065, 1113.44)" 1482.7051@7.079 FindByFormula + 1482.7051 7.079 1485.997@14.794077 "(1486.9994, 2331.9177)(1488.0024, 1894.4183)(1489.0022, 1395.1687)(1490.0098, 745.1275)(1508.9836, 69805.49)(1509.9872, 57671.08)(1510.9894, 27091.79)(1511.9904, 10184.462)(1512.9911, 2812.4324)" 1485.997@14.794077 FindByFormula + 1485.997 14.794077 1486.804@6.59225 "(744.40533, 2098.5667)(744.90967, 2141.24)(745.4084, 483.72998)(755.40063, 3382.8801)(755.9035, 2596.08)(756.397, 1240.4775)(756.89185, 500.08502)" 1486.804@6.59225 FindByFormula + 1486.804 6.59225 1486.8479@9.767 "(1487.8577, 7408.875)(1488.8633, 3289.615)(1489.8638, 1021.05994)" 1486.8479@9.767 FindByFormula + 1486.8479 9.767 1487.8905@16.76 "(1486.887, 1566.6299)(1487.888, 1282.5801)(1488.8882, 558.43)" 1487.8905@16.76 FindByFormula - 1487.8905 16.76 1491.9218@6.8215 "(1490.9124, 784.425)(1491.9211, 776.98)" 1491.9218@6.8215 FindByFormula - 1491.9218 6.8215 1491.9265@6.8255 "(768.9447, 1178.36)(769.4455, 1062.5)(1492.9185, 2408.36)(1493.9244, 2270.55)(1494.904, 743.89)(1514.9033, 4622.555)(1515.9069, 3716.67)(1516.9087, 2008.73)(1517.9214, 515.97)" 1491.9265@6.8255 FindByFormula + 1491.9265 6.8255 1492.8287@1.2376666 "(747.4261, 3386.9255)(747.93195, 2662.7168)(748.4241, 1912.1699)(748.9298, 667.61)(769.40936, 1574.0159)(769.9082, 999.96)(770.40564, 719.59717)(1493.8474, 6607.37)(1494.8518, 5451.54)(1495.851, 2655.56)(758.41895, 1538.7765)(758.9205, 885.58673)(759.4136, 534.765)(1531.7914, 705.64)(1532.7893, 825.33)(777.39514, 962.40753)(777.8938, 317.83502)(778.4008, 813.16)(1515.8334, 2301.7)(1516.8256, 1613.77)(1517.8342, 898.89)" 1492.8287@1.2376666 FindByFormula + 1492.8287 1.2376666 1492.8585@9.028444 "(747.4349, 1810.6499)(747.9334, 1367.5101)(748.4247, 1006.26)(1493.8638, 135614.1)(1494.8668, 103186.28)(1495.8701, 48693.93)(1496.8724, 17147.178)(1497.8762, 5153.863)(1498.9133, 179.94)(766.4125, 4857.1025)(766.9189, 3160.2322)(767.415, 2812.08)" 1492.8585@9.028444 FindByFormula + 1492.8585 9.028444 1495.7638@7.612 "(748.8956, 4043.83)(749.392, 3578.44)(749.8895, 1647.445)(1497.2871, 1857.475)(1497.7795, 1537.2)(1498.7666, 758.82)(759.8867, 922.355)(760.39795, 718.17)(1518.7543, 852.01)(1519.7526, 742.275)(1520.7369, 185.005)" 1495.7638@7.612 FindByFormula + 1495.7638 7.612 1495.8699@9.7882 "(749.4443, 705.95)(1496.874, 17320.309)(1497.8755, 12260.475)(1498.8773, 3023.5981)(1499.8809, 761.1767)" 1495.8699@9.7882 FindByFormula + 1495.8699 9.7882 1495.8702@7.1844997 "(748.9452, 9216.145)(749.43286, 8576.449)(749.9352, 2798.295)(770.9227, 4407.29)(771.41943, 2706.6)(771.91174, 2377.45)(772.406, 1645.91)(1496.8899, 3890.27)(1497.8862, 3844.8)(1498.8666, 1494.78)(759.9367, 6992.1147)(760.432, 6521.705)(760.9292, 4357.735)(779.421, 1489.16)(779.888, 1075.16)(1518.8539, 483.13498)" 1495.8702@7.1844997 FindByFormula + 1495.8702 7.1844997 1496.2046@9.7994995 "(749.126, 1126.4)(749.6211, 556.38)(750.1262, 1136.65)(1497.2056, 16425.314)(1498.2108, 5594.78)(1499.2114, 844.6)" 1496.2046@9.7994995 FindByFormula + 1496.2046 9.7994995 1496.9001@8.681833 "(749.45184, 3945.07)(749.9568, 2797.4033)(750.4502, 1730.6317)(750.95667, 587.84503)(771.4373, 8410.972)(771.9423, 7742.4917)(772.43036, 5496.799)(772.9396, 1924.376)(1497.9044, 3602.0618)(1498.9078, 2770.4348)(1499.9142, 1224.8351)(1500.9034, 791.125)(760.4477, 6265.033)(760.9526, 4888.813)(761.4463, 3330.8818)(761.9423, 1189.436)(1535.855, 1884.02)(1536.8568, 1367.055)(1537.8534, 823.18994)(779.4164, 965.32)(779.9108, 454.56)(1519.89, 18381.44)(1520.8916, 16427.75)(1521.8944, 8189.998)(1522.8976, 3351.6667)(1523.8943, 1151.1819)" 1496.9001@8.681833 FindByFormula + 1496.9001 8.681833 1496.9001@8.705222 "(1495.8959, 2330.4104)(1496.897, 1999.2611)(1497.9, 965.5911)(1498.9009, 307.57556)" 1496.9001@8.705222 FindByFormula - 1496.9001 8.705222 "15(R),19(R)-hydroxy Prostaglandin E2" "15(R),19(R)-hydroxy Prostaglandin E2 [ C20 H32 O6, db=83.34, tgt=, overall=83.34, CAS ID=54142-29-9, METLIN ID=45611 ]" 54142-29-9 "(403.1879, 68.23)(367.21307, 2173.4238)(368.21655, 488.58)" "15(R),19(R)-hydroxy Prostaglandin E2" FindByFormula - 368.2208 9.606 "15(R),19(R)-hydroxy Prostaglandin E2 - 9.06775" "15(R),19(R)-hydroxy Prostaglandin E2 [ C20 H32 O6, db=77.43, tgt=, overall=77.43, CAS ID=54142-29-9, METLIN ID=45611 ]" 54142-29-9 "(367.2135, 2132.3625)(368.21857, 472.94)" "15(R),19(R)-hydroxy Prostaglandin E2 - 9.06775" FindByFormula - 368.2204 9.06775 "15(R),19(R)-hydroxy Prostaglandin E2 - 9.069667" "15(R),19(R)-hydroxy Prostaglandin E2 [ C20 H32 O6, db=77.74, tgt=, overall=77.74, CAS ID=54142-29-9, METLIN ID=45611 ]" 54142-29-9 "(367.2136, 2190.8035)(368.21835, 498.46664)" "15(R),19(R)-hydroxy Prostaglandin E2 - 9.069667" FindByFormula - 368.2213 9.069667 "15(R),19(R)-hydroxy Prostaglandin E2 - 9.615001" "15(R),19(R)-hydroxy Prostaglandin E2 [ C20 H32 O6, db=79.81, tgt=, overall=79.81, CAS ID=54142-29-9, METLIN ID=45611 ]" 54142-29-9 "(367.21387, 1994.625)(368.2169, 452.69498)" "15(R),19(R)-hydroxy Prostaglandin E2 - 9.615001" FindByFormula - 368.2217 9.615001 15(S)-15-methyl PGF2alpha ethyl amide "15(S)-15-methyl PGF2alpha ethyl amide [ C23 H41 N O4, mfg=89.55, db=89.55, tgt=, overall=89.55, METLIN ID=64689 ]" "(396.31094, 5337.3496)(397.31232, 1413.4108)(398.30972, 295.73334)(418.29037, 810.81573)" 15(S)-15-methyl PGF2alpha ethyl amide FindByFormula + 395.3044 12.746728 15(S)-15-methyl PGF2alpha ethyl amide + 12.7841425 "15(S)-15-methyl PGF2alpha ethyl amide [ C23 H41 N O4, db=95.74, tgt=, overall=95.74, METLIN ID=64689 ]" "(396.31073, 7079.061)(397.31378, 1797.2013)(398.31052, 333.67285)(418.28964, 796.58496)" 15(S)-15-methyl PGF2alpha ethyl amide + 12.7841425 FindByFormula + 395.3062 12.7841425 15(S)-15-methyl PGF2alpha isopropyl ester "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=97.28, tgt=, overall=97.28, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(887.55927, 179.745)(433.2922, 9697.598)(434.29578, 2492.1692)(435.2963, 597.15686)(436.2954, 162.7)" 15(S)-15-methyl PGF2alpha isopropyl ester FindByFormula + 432.2851 18.41226 15(S)-15-methyl PGF2alpha isopropyl ester + 18.3 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=94.17, tgt=, overall=94.17, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(433.29245, 9668.753)(434.29532, 2330.555)(435.2967, 670.1025)(436.3025, 236.39)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.3 FindByFormula + 432.2854 18.3 15(S)-15-methyl PGF2alpha isopropyl ester + 18.326334 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=93.04, tgt=, overall=93.04, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(433.29126, 10732.239)(434.29483, 2907.3203)(435.29672, 857.25665)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.326334 FindByFormula + 432.2848 18.326334 15(S)-15-methyl PGF2alpha isopropyl ester + 18.367834 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=97.68, tgt=, overall=97.68, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(433.2926, 9774.462)(434.29553, 2569.72)(435.2966, 625.62164)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.367834 FindByFormula + 432.2867 18.367834 15(S)-15-methyl PGF2alpha isopropyl ester + 18.372332 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=97.66, tgt=, overall=97.66, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(887.5555, 155.99)(433.29227, 11054.743)(434.29544, 2856.9248)(435.29636, 692.75)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.372332 FindByFormula + 432.2843 18.372332 15(S)-15-methyl PGF2alpha isopropyl ester + 18.525555 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=99.58, tgt=, overall=99.58, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(433.29242, 16222.418)(434.29584, 4259.498)(435.2967, 659.45856)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.525555 FindByFormula + 432.2854 18.525555 15(S)-15-methyl PGF2alpha isopropyl ester + 18.738867 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=98.19, tgt=, overall=98.19, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(887.5721, 293.08)(433.29227, 9094.351)(434.29547, 2513.2039)(435.29742, 552.89197)(436.29465, 188.295)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.738867 FindByFormula + 432.2859 18.738867 15(S)-15-methyl PGF2alpha isopropyl ester + 18.747644 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=99.72, tgt=, overall=99.72, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(433.2925, 12347.149)(434.29587, 3344.5442)(435.2982, 629.8251)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.747644 FindByFormula + 432.2862 18.747644 15(S)-15-methyl PGF2alpha isopropyl ester + 18.77331 "15(S)-15-methyl PGF2alpha isopropyl ester [ C24 H42 O5, db=97.68, tgt=, overall=97.68, CAS ID=157283-72-2, METLIN ID=64688 ]" 157283-72-2 "(433.29233, 11380.806)(434.29575, 3103.1504)(435.29636, 629.8022)(436.29547, 301.245)" 15(S)-15-methyl PGF2alpha isopropyl ester + 18.77331 FindByFormula + 432.2857 18.77331 1500.865@7.1695004 "(1501.885, 1912.3899)(1502.8855, 1898.72)(1503.8799, 737.63)(1504.8749, 292.91)(1523.8624, 997.47)(1524.8613, 1311.37)(1525.8655, 848.57)" 1500.865@7.1695004 FindByFormula + 1500.865 7.1695004 1503.6719@1.555 "(752.843, 2677.9167)(753.34375, 2085.49)(753.8438, 1045.7433)(763.83154, 2101.205)(764.33704, 1935.0)(764.8318, 817.76)" 1503.6719@1.555 FindByFormula + 1503.6719 1.555 1506.9023@9.775 "(755.4361, 2229.9)(755.9241, 1061.41)(756.4427, 693.03)(1511.8843, 33631.86)(1512.8828, 13412.96)(1513.8713, 2038.51)(1530.8812, 5164.1753)(1531.8812, 1557.87)" 1506.9023@9.775 FindByFormula + 1506.9023 9.775 1507.9083@6.6305 "(754.9597, 493.09497)(755.4607, 583.495)(777.11066, 2264.0833)(777.6087, 1505.9135)(777.9516, 545.795)(765.9541, 1833.3833)(766.45166, 1931.3168)(766.9472, 711.5933)(1530.8989, 4432.6978)(1531.9015, 3846.7402)(1532.8953, 1833.12)" 1507.9083@6.6305 FindByFormula + 1507.9083 6.6305 1507.9727@14.795847 "(754.98865, 1912.8185)(755.49457, 1738.0417)(755.98944, 1348.5073)(756.4899, 1002.3143)(756.98376, 517.7975)(757.5013, 469.92)(1508.9836, 68931.59)(1509.987, 57009.9)(1510.9888, 26818.754)(1511.9885, 9354.7705)(1512.9911, 2798.911)(1514.0042, 525.026)(773.9697, 2241.8733)(774.472, 1862.7682)(774.96826, 1153.3741)(775.46826, 890.3516)(765.9802, 1019.7925)(766.483, 906.34503)(766.9851, 604.98334)(767.479, 351.90002)(767.9642, 120.07)" 1507.9727@14.795847 FindByFormula + 1507.9727 14.795847 1507.9764@14.796785 "(1508.9841, 65692.48)(1509.9875, 54243.363)(1510.9906, 25467.578)(1511.9913, 8905.536)" 1507.9764@14.796785 FindByFormula + 1507.9764 14.796785 1508.8168@1.1185 "(1509.8215, 1270.33)(1510.8286, 1038.54)(1511.8357, 498.20502)" 1508.8168@1.1185 FindByFormula + 1508.8168 1.1185 1508.825@9.043334 "(1509.8379, 24347.947)(1510.8414, 18705.451)(1511.8428, 10040.497)(1512.8424, 4496.817)(1513.8568, 1515.7201)" 1508.825@9.043334 FindByFormula + 1508.825 9.043334 1509.8821@9.051001 "(755.9498, 11019.84)(756.4511, 8145.5195)(756.95044, 4665.705)(757.4431, 1748.185)" 1509.8821@9.051001 FindByFormula + 1509.8821 9.051001 151.0504@1.0185 "(325.0851, 321.05)(152.05814, 6509.77)(153.05815, 857.515)(154.0587, 1334.5701)(190.0133, 6386.55)(191.0089, 223.5)(174.03905, 3839.475)(175.0398, 460.35)" 151.0504@1.0185 FindByFormula + 151.0504 1.0185 1510.5471@9.7876 "(1511.551, 20661.14)(1512.552, 14831.903)(1513.5494, 2901.2097)(1514.5503, 1032.0175)" 1510.5471@9.7876 FindByFormula + 1510.5471 9.7876 1510.873@9.78625 "(756.44666, 1515.94)(756.9603, 593.345)(1511.8826, 23030.852)(1512.8816, 8755.822)(1513.876, 1456.1699)" 1510.873@9.78625 FindByFormula + 1510.873 9.78625 1513.883@6.825 "(758.0712, 1749.2526)(758.4448, 3123.7634)(758.9466, 768.3033)(780.18195, 1859.47)(780.4314, 730.25)(1514.8994, 3383.062)(1515.9036, 3085.15)(1516.9036, 1557.474)(768.9435, 2148.1875)(769.4338, 2394.5925)(769.9327, 686.20996)(1536.8855, 2439.898)(1537.8887, 1937.78)" 1513.883@6.825 FindByFormula + 1513.883 6.825 1513.9241@14.754001 "(1514.9337, 9355.856)(1515.9365, 7812.013)(1516.9375, 3243.3367)(1517.9531, 758.85333)(1518.9617, 214.59)" 1513.9241@14.754001 FindByFormula + 1513.9241 14.754001 1514.8239@1.3366 "(758.4193, 2851.205)(758.92065, 2023.4924)(1515.8427, 495.54)(1516.8281, 107.85)(769.40967, 2111.3074)(769.9147, 1371.2125)(770.40594, 1036.6934)(1537.8094, 913.3467)(1538.8169, 974.63)(1539.8212, 911.37)" 1514.8239@1.3366 FindByFormula + 1514.8239 1.3366 1515.8689@9.783501 "(1516.8728, 4245.42)(1517.875, 3792.775)(1518.8784, 1803.48)" 1515.8689@9.783501 FindByFormula + 1515.8689 9.783501 1516.3802@1.9118333 "(759.2007, 6766.447)(759.7078, 905.1116)(760.2032, 3048.7249)(760.6987, 525.45)(761.2042, 1312.0)" 1516.3802@1.9118333 FindByFormula + 1516.3802 1.9118333 1517.859@7.204 "(760.18726, 6446.25)(760.67664, 5688.715)(760.9331, 6830.38)(781.91724, 1949.48)(782.412, 1250.39)(782.90063, 2228.825)(1518.848, 251.28)(770.9193, 3773.43)(771.4217, 2451.31)(771.90265, 2292.375)(1540.827, 430.2)(1541.852, 478.06)(1542.847, 400.54)" 1517.859@7.204 FindByFormula + 1517.859 7.204 1518.8907@8.680667 "(760.4467, 5438.0117)(760.95215, 4233.098)(761.4453, 2818.4033)(761.9396, 812.57)(782.429, 12338.876)(782.93365, 11229.2705)(783.4301, 5449.0083)(1519.891, 17526.857)(1520.8939, 15498.234)(1521.8937, 7717.4927)(1522.8925, 3045.8167)(1541.8702, 12219.464)(1542.8754, 11595.054)(1543.8729, 5493.3496)(1544.8677, 2161.08)(1545.8677, 663.86804)" 1518.8907@8.680667 FindByFormula + 1518.8907 8.680667 1519.7611@7.0564284 "(760.8899, 4297.218)(761.3913, 3356.8206)(761.88855, 1822.1244)(762.38885, 441.1967)(762.8836, 127.08)(799.1543, 606.32605)(799.51495, 811.2934)(799.8413, 524.225)(782.87115, 3274.252)(783.3756, 3284.4614)(783.8711, 1757.4135)(784.37695, 892.521)(784.88135, 135.13)(1520.7579, 3959.8396)(1521.7606, 3321.475)(1522.7601, 1750.2772)(1523.7574, 791.15704)(1524.7462, 174.36165)(779.86224, 2659.5046)(780.36957, 2466.54)(780.8603, 1283.9491)(781.3685, 179.65001)(771.8783, 10268.143)(772.38165, 7893.1475)(772.88214, 4154.585)(773.3945, 2162.242)(773.88257, 296.0525)(1558.7119, 384.04126)(1559.7255, 483.455)(1560.7056, 192.96501)(791.0024, 1548.1572)(791.5082, 1259.8799)(791.8543, 849.9567)(1542.7439, 2395.6367)(1543.7429, 2329.619)(1544.7498, 1339.9124)(1545.7483, 761.8275)(1546.7524, 135.06334)" 1519.7611@7.0564284 FindByFormula + 1519.7611 7.0564284 1519.7635@7.060133 "(758.8698, 1488.1852)(759.3747, 1177.8772)(759.87213, 542.93713)(1518.7455, 299.2322)(1519.7472, 214.3211)" 1519.7635@7.060133 FindByFormula - 1519.7635 7.060133 1520.8527@9.406 "(759.4191, 959.74506)(759.91986, 870.2975)(760.42053, 435.3625)(1519.8462, 458.58)" 1520.8527@9.406 FindByFormula - 1520.8527 9.406 1523.9565@14.7960005 "(762.9809, 18510.316)(763.4824, 15319.443)(763.98315, 7445.653)(764.4838, 2899.2673)(764.9768, 1814.1799)(1524.9451, 2112.185)(1525.958, 2015.495)(1526.9523, 612.4)(1527.9293, 372.91)(781.9523, 542.09)(782.4496, 495.94)(782.9693, 211.84)(773.9681, 3624.827)(774.4722, 2978.9866)(774.9637, 1939.85)(775.4645, 1297.3049)" 1523.9565@14.7960005 FindByFormula + 1523.9565 14.7960005 1523.961@14.781375 "(762.9818, 22102.307)(763.4838, 18505.965)(763.985, 9034.093)(764.48676, 3292.071)(764.9823, 2045.9961)(1524.9641, 2071.722)(1525.9539, 1768.56)(1526.9629, 1510.5166)(1527.9531, 988.01)(781.9591, 1595.47)(782.4614, 1583.2)(782.9522, 712.89)(773.9704, 3501.647)(774.4756, 2932.5872)(774.9727, 1715.8685)(775.4779, 950.38257)" 1523.961@14.781375 FindByFormula + 1523.961 14.781375 1525.2211@9.796333 "(764.1083, 348.635)(1526.2242, 23475.85)(1527.232, 21021.127)(1528.2295, 6179.2563)(1529.2458, 675.315)" 1525.2211@9.796333 FindByFormula + 1525.2211 9.796333 1525.5488@9.8215 "(1526.5579, 20957.676)(1527.5625, 8020.26)(1528.5559, 1671.435)" 1525.5488@9.8215 FindByFormula + 1525.5488 9.8215 1528.414@1.94 "(765.21606, 3390.2148)(765.71564, 1070.51)(766.21326, 1803.5)" 1528.414@1.94 FindByFormula + 1528.414 1.94 1529.8926@6.629833 "(765.9486, 1681.02)(766.4535, 1807.2151)(766.9448, 798.425)(787.93567, 1341.9141)(788.4385, 1177.3479)(788.9413, 614.49)(1530.8969, 4242.473)(1531.8993, 3734.1084)(1532.895, 1855.7832)(1533.8977, 716.896)(1534.8944, 122.35)(1552.8783, 5110.6616)(1553.8812, 4306.5835)(1554.8905, 2250.5718)(1555.8851, 800.03174)(1556.8837, 316.10248)" 1529.8926@6.629833 FindByFormula + 1529.8926 6.629833 1529.9524@14.772834 "(765.9831, 6267.8867)(766.4875, 5565.64)(766.98486, 3702.8333)(767.4826, 1732.1151)" 1529.9524@14.772834 FindByFormula + 1529.9524 14.772834 1530.7703@7.422 "(766.3916, 1262.155)(766.88385, 467.21503)(767.3931, 385.66)" 1530.7703@7.422 FindByFormula + 1530.7703 7.422 1530.9644@14.754801 "(766.4877, 4539.042)(766.98596, 2685.5461)(767.48413, 1390.3899)(767.98425, 439.625)(1569.9391, 908.8467)" 1530.9644@14.754801 FindByFormula + 1530.9644 14.754801 1532.9174@9.799 "(767.4538, 4335.67)(767.9435, 2088.9)(768.455, 3457.42)(1555.9098, 18085.484)(1556.9124, 7138.7627)" 1532.9174@9.799 FindByFormula + 1532.9174 9.799 1534.9099@9.2435 "(1535.9155, 7825.88)(1536.9268, 1607.56)" 1534.9099@9.2435 FindByFormula + 1534.9099 9.2435 1535.7286@7.0688004 "(790.8539, 2084.06)(791.3658, 689.24)(791.85187, 1420.47)(1536.709, 131.93)(779.8649, 3642.5618)(780.3733, 3200.688)(780.86664, 1710.1959)" 1535.7286@7.0688004 FindByFormula + 1535.7286 7.0688004 1536.8877@9.055889 "(769.44257, 1281.9767)(769.94775, 1000.0633)(770.44727, 833.5867)(770.9377, 748.19)(771.4163, 217.52)(1537.8923, 105934.86)(1538.8939, 81826.78)(1539.8965, 39900.816)(1540.8934, 14393.22)(1541.8954, 4448.054)(1542.9084, 3246.16)(788.42804, 2867.6313)(788.92395, 2128.8728)(789.43274, 2000.59)(789.92804, 1237.12)" 1536.8877@9.055889 FindByFormula + 1536.8877 9.055889 1537.8096@1.2316667 "(769.914, 1697.3534)(770.4069, 1101.6766)" 1537.8096@1.2316667 FindByFormula + 1537.8096 1.2316667 1538.5724@9.823 "(770.2704, 601.27)(770.7858, 228.93)(1539.5814, 2971.095)(1540.5706, 4190.23)(1541.568, 7823.015)(1542.5676, 2189.44)" 1538.5724@9.823 FindByFormula + 1538.5724 9.823 1539.1229@26.945 "(1540.1284, 1096.08)(1541.1238, 700.67)(1542.1384, 1113.8049)" 1539.1229@26.945 FindByFormula + 1539.1229 26.945 1539.8921@9.8075 "(1540.9009, 15215.342)(1541.901, 11578.625)(1542.904, 2650.885)(1543.8969, 969.9167)" 1539.8921@9.8075 FindByFormula + 1539.8921 9.8075 1540.2266@9.796333 "(1541.2325, 23740.826)(1542.2373, 9763.887)(1543.2511, 1780.0834)" 1540.2266@9.796333 FindByFormula + 1540.2266 9.796333 1540.8564@8.684667 "(771.4393, 9575.812)(771.9427, 8116.67)(772.4277, 5379.4253)(772.9385, 1483.06)(1541.8726, 15290.04)(1542.8761, 14278.293)(1543.873, 6646.5566)(1544.879, 2602.2666)(1545.8668, 836.458)(782.4317, 15723.121)(782.935, 13546.481)(783.4323, 6761.842)(783.93494, 2781.584)" 1540.8564@8.684667 FindByFormula + 1540.8564 8.684667 1541.7411@7.056333 "(771.87714, 14170.121)(772.382, 10566.685)(772.8806, 5564.4272)(773.39105, 2506.14)(810.0947, 2184.125)(810.3394, 2032.29)(793.8579, 4218.0977)(794.371, 2645.395)(794.8636, 1229.5033)(1542.7455, 2573.7002)(1543.7399, 2863.6082)(1544.7491, 1426.92)(1545.7428, 539.85333)(790.9879, 1420.1825)(791.3659, 1974.85)(791.861, 718.6067)(782.8716, 4034.2903)(783.3727, 4750.418)(783.87244, 1808.14)(784.3705, 929.7)(1580.6925, 1183.7633)(1581.6862, 870.61005)(801.8467, 2332.965)(802.3546, 1899.6125)(802.8503, 746.6667)(1564.7136, 1005.6481)(1565.7292, 1123.9961)(1566.725, 542.0425)" 1541.7411@7.056333 FindByFormula + 1541.7411 7.056333 1541.753@7.057929 "(769.861, 1347.8441)(770.36505, 1092.9486)(770.86316, 532.74927)" 1541.753@7.057929 FindByFormula - 1541.753 7.057929 1543.2748@6.9589996 "(772.6483, 6339.85)(773.1485, 9917.975)(773.64246, 4334.51)(774.1287, 539.12)" 1543.2748@6.9589996 FindByFormula + 1543.2748 6.9589996 1544.9026@6.5785 "(1545.9094, 1908.66)(1546.9102, 1764.4824)(1547.9161, 971.2775)(1567.89, 2098.3975)(1568.8953, 1757.5599)(1569.8853, 845.8625)" 1544.9026@6.5785 FindByFormula + 1544.9026 6.5785 1551.8718@6.6293335 "(776.94116, 1670.42)(777.4302, 781.58997)(1552.8776, 5322.627)(1553.8812, 4526.6167)(1554.8864, 2420.7566)(1555.8774, 756.35333)(787.937, 1161.13)(788.43274, 904.875)(788.93475, 507.415)" 1551.8718@6.6293335 FindByFormula + 1551.8718 6.6293335 1551.8795@6.633333 "(776.94415, 1850.5801)(777.4412, 2122.8533)(777.9357, 605.9867)(1552.8774, 5738.933)(1553.8823, 4984.3315)(1554.8937, 509.89)(1555.8943, 329.91)" 1551.8795@6.633333 FindByFormula + 1551.8795 6.633333 1552.8551@9.07175 "(1553.8629, 14715.763)(1554.8672, 11401.81)(1555.8708, 6978.6577)(1556.8652, 2721.635)(1557.855, 1057.7367)(1591.8217, 200.25)" 1552.8551@9.07175 FindByFormula + 1552.8551 9.07175 1554.5717@9.813 "(1555.5752, 18886.514)(1556.5778, 14756.289)(1557.5717, 3127.5232)(1558.5829, 747.275)" 1554.5717@9.813 FindByFormula + 1554.5717 9.813 1554.9088@9.824 "(1555.9132, 23058.812)(1556.9165, 8830.283)" 1554.9088@9.824 FindByFormula + 1554.9088 9.824 1557.7075@7.0415 "(779.8613, 4011.1099)(780.3695, 4053.645)(780.85864, 1743.8401)(781.3601, 564.01)(801.8415, 2142.42)(802.347, 1460.63)(802.8455, 915.69)(1558.6995, 787.91)(1559.7385, 920.83)(1560.7416, 203.75)(1596.6586, 347.98)(1597.6475, 489.72)(809.8254, 896.49)(810.3241, 187.7)(1580.6931, 1237.96)(1581.6875, 927.92)(1582.7238, 982.43)" 1557.7075@7.0415 FindByFormula + 1557.7075 7.0415 1558.7675@1.3096668 "(780.3975, 2258.9167)(780.8992, 1467.8334)(781.4002, 919.99)" 1558.7675@1.3096668 FindByFormula + 1558.7675 1.3096668 1558.8757@9.0720005 "(780.44214, 47968.59)(780.94434, 37773.53)(781.44244, 17910.697)(781.94745, 6530.32)(782.4458, 2270.3167)(782.944, 420.8)" 1558.8757@9.0720005 FindByFormula + 1558.8757 9.0720005 1559.9043@9.807 "(1560.9108, 5147.02)(1561.9105, 4832.925)(1562.9277, 1080.935)" 1559.9043@9.807 FindByFormula + 1559.9043 9.807 1561.8253@7.4136662 "(781.9191, 3181.63)(782.4155, 3137.1865)(782.9095, 2449.5566)" 1561.8253@7.4136662 FindByFormula + 1561.8253 7.4136662 1562.8481@8.674 "(782.4321, 19106.05)(782.93475, 16388.13)(783.4318, 8186.6567)(783.93536, 3062.093)(784.4136, 1259.98)" 1562.8481@8.674 FindByFormula + 1562.8481 8.674 1563.7147@7.0568333 "(782.86993, 5060.252)(783.37494, 5436.1616)(783.872, 2404.1565)(804.8522, 3856.83)(805.3559, 2646.9)(805.8471, 990.4)(1564.7134, 1171.624)(1565.7328, 952.792)(1566.7299, 554.796)(1602.8674, 1832.822)(1603.869, 1419.384)(1604.6772, 800.715)" 1563.7147@7.0568333 FindByFormula + 1563.7147 7.0568333 1563.7261@7.0515003 "(1562.7148, 1078.515)(1563.7152, 869.33)(1564.7205, 441.06)" 1563.7261@7.0515003 FindByFormula - 1563.7261 7.0515003 1563.7809@8.892667 "(782.903, 1854.1166)(783.40155, 1987.0502)(783.8906, 1322.25)(784.4031, 360.13663)" 1563.7809@8.892667 FindByFormula + 1563.7809 8.892667 1567.9393@9.8225 "(807.4633, 655.88)(807.9758, 320.81)(808.4762, 516.4)(1568.9337, 4166.39)(1569.9268, 5390.71)(1570.9149, 8354.76)(1571.9276, 2607.86)(1572.9065, 587.42)(796.4631, 1895.09)(796.9616, 3136.37)(797.4624, 1671.13)(815.4321, 229.04)(1590.9164, 4402.88)(1591.9084, 1310.19)" 1567.9393@9.8225 FindByFormula + 1567.9393 9.8225 1567.9419@8.575334 "(784.9739, 2074.59)(785.4695, 2321.3)(785.9884, 815.02)(806.9603, 7958.125)(807.449, 5395.418)(807.9605, 3375.5925)(808.4552, 495.45)(1568.9365, 1357.3633)(1569.9352, 1299.6183)(1570.949, 674.97595)(804.4498, 991.47)(804.9299, 770.6)(795.96405, 2538.6724)(796.4591, 3351.982)(796.9684, 1546.294)(797.4562, 361.84)(1606.8944, 708.7234)(1607.8895, 793.38995)(815.19, 1679.5516)(815.63684, 895.784)(1590.9247, 7764.105)(1591.9287, 7034.1367)(1592.9237, 3431.5586)(1593.9181, 1510.78)" 1567.9419@8.575334 FindByFormula + 1567.9419 8.575334 1569.2491@9.81225 "(1570.2523, 18990.285)(1571.2538, 14982.461)(1572.2585, 3112.1675)(1573.2672, 658.02)" 1569.2491@9.81225 FindByFormula + 1569.2491 9.81225 1569.5887@9.8075 "(1570.5846, 17910.6)(1571.5868, 7502.46)(1572.5781, 1498.5625)(1573.5981, 597.335)" 1569.5887@9.8075 FindByFormula + 1569.5887 9.8075 1569.914@9.831 "(1570.9153, 8042.67)(1571.926, 2276.2998)(1572.9033, 673.97)" 1569.914@9.831 FindByFormula + 1569.914 9.831 157.9199@27.339645 "(158.92761, 7072.1)(159.93051, 214.4243)(160.92386, 274.53)" 157.9199@27.339645 FindByFormula + 157.9199 27.339645 157.9202@26.987999 "(158.9277, 11883.19)(159.93274, 253.12)(160.92523, 330.08)" 157.9202@26.987999 FindByFormula + 157.9202 26.987999 157.9204@27.362467 "(158.92789, 7872.2524)(159.93095, 204.05)(160.92386, 319.281)" 157.9204@27.362467 FindByFormula + 157.9204 27.362467 157.9204@27.370073 "(158.92789, 8178.589)(159.93091, 185.66142)(160.92467, 334.84778)" 157.9204@27.370073 FindByFormula + 157.9204 27.370073 157.9208@26.987999:1 "(158.9277, 11883.19)(159.93274, 253.12)(160.92523, 330.08)" 157.9208@26.987999:1 FindByFormula + 157.9208 26.987999 157.9208@26.987999:2 "(158.9277, 11883.19)(159.93274, 253.12)(160.92523, 330.08)" 157.9208@26.987999:2 FindByFormula + 157.9208 26.987999 1574.7062@8.136 "(1575.7063, 396.515)(1576.7144, 358.995)" 1574.7062@8.136 FindByFormula + 1574.7062 8.136 1574.8395@9.076 "(788.4255, 7098.035)(788.93274, 5558.415)(789.4293, 3650.725)" 1574.8395@9.076 FindByFormula + 1574.8395 9.076 1578.1677@7.2963333 "(790.08734, 4838.3633)(790.58844, 4344.687)(791.086, 1188.9933)(791.5997, 268.37)(1579.1461, 948.06)(1580.1472, 830.81)" 1578.1677@7.2963333 FindByFormula + 1578.1677 7.2963333 1578.4912@7.2855 "(790.2523, 8366.149)(790.7479, 5004.465)(791.24774, 1257.305)(1579.4993, 1978.945)(1580.5054, 739.49)" 1578.4912@7.2855 FindByFormula + 1578.4912 7.2855 1578.808@7.244 "(790.412, 5489.2)(790.9127, 1882.9551)(791.4039, 397.04)(1579.8074, 487.845)(1580.8096, 543.65)(1581.8083, 264.0)" 1578.808@7.244 FindByFormula + 1578.808 7.244 1579.941@6.632 "(790.97534, 3001.3901)(791.468, 3220.935)(791.9697, 1284.585)(812.961, 2905.3848)(813.4647, 2484.625)(813.9602, 1299.4451)(1580.9514, 559.185)(1581.925, 520.66504)(1582.9261, 189.48999)(801.9622, 3983.64)(802.4535, 2783.98)(802.9764, 2218.41)(1602.9419, 1014.995)(1603.9341, 1110.87)(1604.9403, 619.465)" 1579.941@6.632 FindByFormula + 1579.941 6.632 1580.9148@9.078751 "(791.46313, 1502.0166)(791.96796, 1446.5133)(792.455, 939.66)(1581.9185, 117013.71)(1582.9213, 94218.21)(1583.9241, 46381.445)(1584.9249, 17363.863)(1585.9274, 4823.7314)(1586.9364, 1472.3531)(810.435, 3090.01)(810.9428, 2762.455)(811.43665, 1766.026)(811.9441, 1002.62665)(1619.8813, 410.945)(1603.9049, 288.89)" 1580.9148@9.078751 FindByFormula + 1580.9148 9.078751 1581.9113@9.074888 "(1582.9204, 85827.78)(1583.9225, 42309.223)(1584.923, 15889.13)(1585.9279, 4578.4565)" 1581.9113@9.074888 FindByFormula + 1581.9113 9.074888 1582.8416@7.9255 "(811.40674, 782.475)(811.9074, 500.06)" 1582.8416@7.9255 FindByFormula + 1582.8416 7.9255 1583.5825@9.846001 "(1585.0942, 11254.035)(1586.0933, 5982.93)(1587.105, 1306.8301)(1587.5627, 504.2)" 1583.5825@9.846001 FindByFormula + 1583.5825 9.846001 1583.9187@9.8246 "(1584.928, 13812.159)(1585.9277, 11206.544)(1586.9329, 2660.546)(1587.9424, 1318.1533)" 1583.9187@9.8246 FindByFormula + 1583.9187 9.8246 1584.2512@9.846001 "(1585.2627, 13919.976)(1586.2648, 5386.89)(1587.2566, 1092.09)(1588.2457, 786.0)(1607.2513, 297.2)" 1584.2512@9.846001 FindByFormula + 1584.2512 9.846001 1584.6019@9.817 "(1585.5988, 18645.963)(1586.5964, 4843.3726)(1587.6063, 808.1124)" 1584.6019@9.817 FindByFormula + 1584.6019 9.817 1585.7115@7.0559998 "(793.8611, 5850.24)(794.3717, 4236.157)(794.8673, 2298.0098)(795.379, 758.31)(815.8443, 4195.3535)(816.3566, 4231.013)(816.8506, 2089.77)(817.3377, 167.49)(1586.702, 1630.7767)(1587.705, 1262.97)(1588.7072, 1128.875)(1589.6891, 171.26)(812.83685, 3933.6575)(813.3478, 4428.2773)(813.8388, 1765.785)(804.8511, 3854.1997)(805.3603, 2976.5176)(805.84644, 1253.97)(806.3449, 347.42667)(823.8328, 893.0366)(824.3298, 932.62335)(1608.6907, 2287.6123)(1609.701, 1661.8826)(1610.7167, 1195.7133)" 1585.7115@7.0559998 FindByFormula + 1585.7115 7.0559998 1589.9127@8.5885 "(795.9632, 3347.4033)(796.45514, 3454.5967)(796.96356, 1854.8932)(797.4834, 83.77)(817.94836, 12470.55)(818.4429, 9396.234)(818.9475, 5368.43)(819.43994, 1794.6699)(1590.9211, 7388.775)(1591.9241, 6408.8677)(1592.9221, 6581.09)(1593.9182, 2685.135)(1594.9226, 592.765)(806.95605, 10997.8)(807.44934, 7491.92)(807.95544, 4952.255)(1612.8994, 8653.199)(1613.904, 8167.7397)(1614.9031, 5036.365)(1615.9194, 1688.35)(1616.9055, 807.625)" 1589.9127@8.5885 FindByFormula + 1589.9127 8.5885 1589.9181@9.976999 "(1590.9227, 1238.54)(1591.9202, 511.22998)(1592.9274, 513.28)(806.955, 346.53)(807.462, 237.73)(807.9806, 59.36)" 1589.9181@9.976999 FindByFormula + 1589.9181 9.976999 159.0902@1.1543332 "(160.0945, 275.67)(182.07945, 117797.02)(183.08252, 12750.185)" 159.0902@1.1543332 FindByFormula + 159.0902 1.1543332 1591.9415@14.780856 "(796.97473, 12786.1045)(797.4782, 10769.228)(797.97626, 5406.4844)(798.4762, 2039.1758)" 1591.9415@14.780856 FindByFormula + 1591.9415 14.780856 1591.949@14.797092 "(796.97516, 10009.074)(797.47906, 8329.363)(797.97565, 4214.0127)(798.474, 1716.2849)(798.9673, 985.5314)(1592.9204, 1156.2975)(1593.943, 1352.415)(1594.9498, 1754.47)(1595.9615, 1070.87)" 1591.949@14.797092 FindByFormula + 1591.949 14.797092 1594.9084@7.0990005 "(798.47003, 3950.8435)(798.9715, 3171.5364)(799.4688, 1581.9667)(799.9768, 1100.24)(1596.2797, 928.9633)(1596.9473, 931.175)(1597.9379, 770.515)(809.4469, 2690.66)(809.9542, 2359.86)(810.4549, 2784.2)(1617.915, 1428.5333)(1618.9127, 1079.1566)(1619.9127, 754.59326)" 1594.9084@7.0990005 FindByFormula + 1594.9084 7.0990005 1595.8677@8.874001 "(798.94324, 6424.4697)(799.43646, 7572.585)(799.9387, 2108.25)(800.4291, 544.15)(1596.8787, 1158.98)(1597.8799, 1886.54)" 1595.8677@8.874001 FindByFormula + 1595.8677 8.874001 1596.206@8.930333 "(799.10956, 3896.7532)(799.6103, 2318.7634)(800.1109, 692.3467)(1597.2144, 1797.1866)(1598.1991, 999.03)(1619.179, 298.42)" 1596.206@8.930333 FindByFormula + 1596.206 8.930333 1596.8777@9.088 "(799.97565, 5784.1084)(1597.8912, 11399.322)(1598.892, 9176.74)(1599.8971, 5440.196)(1600.8909, 2725.6558)(1601.899, 908.61993)" 1596.8777@9.088 FindByFormula + 1596.8777 9.088 1596.9379@9.850333 "(800.9427, 733.82)(801.4657, 783.01)(1597.9513, 2858.55)(1598.952, 2561.19)(1619.9292, 2377.2234)(1620.937, 1168.5033)(1621.9421, 729.465)" 1596.9379@9.850333 FindByFormula + 1596.9379 9.850333 1598.5939@9.8246 "(1599.6022, 12553.1)(1600.6042, 10374.664)(1601.6125, 2146.23)(1602.6047, 366.33398)" 1598.5939@9.8246 FindByFormula + 1598.5939 9.8246 1598.6857@8.505 "(798.337, 1060.625)(798.8349, 789.695)(799.3386, 527.855)(1597.6736, 583.565)(1598.6772, 512.615)" 1598.6857@8.505 FindByFormula - 1598.6857 8.505 1599.6042@9.842 "(1600.6094, 9012.61)(1601.6111, 1834.01)(1602.6213, 372.05)" 1599.6042@9.842 FindByFormula + 1599.6042 9.842 15-HETE-DA "15-HETE-DA [ C28 H41 N O4, db=93.54, tgt=, overall=93.54, Lipid ID=LMFA08020151, METLIN ID=75532 ]" "(478.29248, 3573.3271)(479.29514, 1041.0546)(480.29242, 206.64334)(516.238, 767.075)(500.2743, 3127.32)(501.27722, 998.76337)" 15-HETE-DA FindByFormula + LMFA08020151 477.2848 13.844616 15-HETE-DA + 13.827429 "15-HETE-DA [ C28 H41 N O4, db=97.51, tgt=, overall=97.51, Lipid ID=LMFA08020151, METLIN ID=75532 ]" "(478.29352, 2849.2598)(479.29623, 925.9328)(480.2966, 136.65)(516.2434, 452.13)(500.27515, 2451.3186)(501.27853, 878.93854)" 15-HETE-DA + 13.827429 FindByFormula + LMFA08020151 477.2843 13.827429 "16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester" "16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester [ C37 H48 N2 O7, db=72.92, tgt=, overall=72.92, CAS ID=62873-55-6, METLIN ID=45607 ]" 62873-55-6 "(655.33344, 26538.637)(656.3355, 11728.449)(657.3383, 5633.99)(658.3374, 1814.4026)(659.3403, 625.1178)" "16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester" FindByFormula + 654.325 18.402 "16,16-dimethyl-6-keto Prostaglandin E1" "16,16-dimethyl-6-keto Prostaglandin E1 [ C22 H36 O6, db=70.15, tgt=, overall=70.15, CAS ID=75874-32-7, METLIN ID=45595 ]" 75874-32-7 "(395.2424, 1436.8362)(396.24615, 445.91125)" "16,16-dimethyl-6-keto Prostaglandin E1" FindByFormula - 396.2493 10.141874 "16,16-dimethyl-6-keto Prostaglandin E1 - 10.1584" "16,16-dimethyl-6-keto Prostaglandin E1 [ C22 H36 O6, db=75.44, tgt=, overall=75.44, CAS ID=75874-32-7, METLIN ID=45595 ]" 75874-32-7 "(395.2431, 1756.0098)(396.24664, 526.734)" "16,16-dimethyl-6-keto Prostaglandin E1 - 10.1584" FindByFormula - 396.2493 10.1584 "16,16-dimethyl-PGE2" "16,16-dimethyl-PGE2 [ C22 H36 O5, db=76.51, tgt=, overall=76.51, CAS ID=39746-25-3, Lipid ID=LMFA03010065, METLIN ID=36136 ]" 39746-25-3 "(379.24747, 2723.619)(380.25055, 685.00995)" "16,16-dimethyl-PGE2" FindByFormula - LMFA03010065 380.2541 11.4093 "16,16-dimethyl-PGE2 - 11.408333" "16,16-dimethyl-PGE2 [ C22 H36 O5, db=75.60, tgt=, overall=75.60, CAS ID=39746-25-3, Lipid ID=LMFA03010065, METLIN ID=36136 ]" 39746-25-3 "(379.24734, 3791.6633)(380.25046, 952.4849)" "16,16-dimethyl-PGE2 - 11.408333" FindByFormula - LMFA03010065 380.2533 11.408333 1601.6733@7.0495 "(801.8468, 2711.0952)(802.3468, 2842.79)(802.83887, 1281.75)(1602.6769, 2095.675)(1603.6785, 1856.05)(1604.6694, 714.125)(1605.648, 379.48)(812.833, 3771.6802)(813.3373, 3112.275)(813.8394, 1137.085)(1624.6279, 274.64502)" 1601.6733@7.0495 FindByFormula + 1601.6733 7.0495 1602.4012@1.9516667 "(802.2101, 4678.43)(802.71484, 581.765)(803.2092, 2462.425)(803.7062, 624.0)(1603.4181, 497.87)(1604.4244, 412.29)" 1602.4012@1.9516667 FindByFormula + 1602.4012 1.9516667 1602.8964@9.0846 "(802.4535, 40792.523)(802.95746, 32829.906)(803.4565, 16388.594)(803.9597, 6734.4717)(804.4596, 2179.35)(804.9649, 1063.97)" 1602.8964@9.0846 FindByFormula + 1602.8964 9.0846 1603.7255@4.0358 "(1604.7308, 256538.44)(1605.7356, 110940.984)(1606.7305, 33472.758)(1607.73, 7044.867)(1608.7294, 1889.9633)(1642.6843, 894.9525)(1643.6764, 542.26)(1626.7069, 12405.44)(1627.7124, 5584.893)(1628.7217, 1692.9633)(1629.7251, 906.16003)" 1603.7255@4.0358 FindByFormula + 1603.7255 4.0358 1603.7256@4.697 "(1604.7314, 159441.81)(1605.7336, 69927.44)(1606.7361, 20771.121)(1607.7389, 4857.865)(1608.738, 1079.02)(1609.746, 292.765)(1626.7124, 3667.49)(1627.7045, 1327.625)(1628.7137, 657.925)(1629.7134, 218.465)" 1603.7256@4.697 FindByFormula + 1603.7256 4.697 1603.7272@4.6745 "(1604.7314, 155310.78)(1605.7336, 68675.86)(1606.7357, 20137.451)(1607.7329, 4602.8076)(1608.7372, 1158.7467)(1626.7073, 3547.9626)(1627.7009, 1395.515)(1628.7196, 891.8133)(1629.7063, 153.765)" 1603.7272@4.6745 FindByFormula + 1603.7272 4.6745 1603.8958@9.0846 "(802.9574, 32727.887)(803.45654, 16346.583)(803.9594, 6714.9766)(804.458, 1810.9541)" 1603.8958@9.0846 FindByFormula + 1603.8958 9.0846 1605.9265@6.487 "(803.97314, 2932.295)(804.46344, 3118.135)(804.97034, 1815.61)(805.4743, 420.09)(814.9613, 4536.415)(815.4641, 4276.23)(815.96106, 2241.88)" 1605.9265@6.487 FindByFormula + 1605.9265 6.487 1607.6962@7.0620003 "(804.84705, 1445.57)(805.3556, 1263.24)(805.84424, 789.18)(815.84436, 1483.55)(816.3484, 871.86)(816.83325, 764.355)" 1607.6962@7.0620003 FindByFormula + 1607.6962 7.0620003 161.1714@0.9584445 "(162.1793, 6637.0547)(163.18198, 369.9)(184.16104, 142.55)" 161.1714@0.9584445 FindByFormula + 161.1714 0.9584445 1611.6235@9.864 "(1612.626, 2637.97)(1613.6296, 2538.135)" 1611.6235@9.864 FindByFormula + 1611.6235 9.864 1611.9034@8.575999 "(806.9559, 8387.153)(807.44806, 6416.2896)(807.95703, 3707.9932)(808.434, 450.6)(1612.8994, 7012.3696)(1613.9042, 6449.4937)(1614.9037, 3904.57)(1615.9071, 1293.93)(817.9477, 9761.873)(818.44366, 7763.1367)(818.95044, 4218.8135)" 1611.9034@8.575999 FindByFormula + 1611.9034 8.575999 1611.9462@9.851 "(1612.9629, 1467.3049)(1613.9541, 2234.335)(1614.9482, 3863.255)(1615.9512, 1177.85)(1634.9661, 1266.49)(1635.9409, 392.32)" 1611.9462@9.851 FindByFormula + 1611.9462 9.851 1613.2725@9.83275 "(1614.2777, 13627.745)(1615.2781, 11962.445)(1616.2817, 2641.53)" 1613.2725@9.83275 FindByFormula + 1613.2725 9.83275 1613.607@9.825999 "(1614.6097, 15249.874)(1615.6156, 5998.28)(1616.6094, 1350.51)(1617.5952, 511.03998)" 1613.607@9.825999 FindByFormula + 1613.607 9.825999 1613.9344@9.851666 "(1614.9443, 11228.356)(1615.944, 3167.7634)(1616.9369, 965.865)" 1613.9344@9.851666 FindByFormula + 1613.9344 9.851666 1614.9795@14.842 "(1615.9827, 3150.84)(1616.9899, 3269.65)(1617.9897, 1868.585)(1618.9797, 726.765)" 1614.9795@14.842 FindByFormula + 1614.9795 14.842 1615.9602@6.894 "(808.98486, 1672.7949)(809.4794, 937.45496)(809.98596, 1056.71)(831.4707, 1280.44)(1616.9772, 2288.06)(1617.9622, 2051.59)(1618.9705, 1295.655)(1619.9727, 402.06)(1638.9546, 2911.595)(1639.9563, 2675.79)(1640.9534, 1428.03)(1641.969, 754.175)" 1615.9602@6.894 FindByFormula + 1615.9602 6.894 1618.9308@9.825 "(1619.9326, 3336.6902)(1620.934, 1775.9332)(1621.9418, 699.38995)" 1618.9308@9.825 FindByFormula + 1618.9308 9.825 1619.6914@4.106 "(810.85126, 2713.41)(811.3507, 1406.275)(811.8357, 360.395)(1620.6974, 3513.36)(1621.7079, 1527.06)(1622.7133, 844.74)(1642.6871, 920.74)" 1619.6914@4.106 FindByFormula + 1619.6914 4.106 1619.6943@4.0675 "(1620.7037, 6028.05)(1621.7046, 2895.4949)(1622.7087, 1228.1)(1642.6797, 1415.86)" 1619.6943@4.0675 FindByFormula + 1619.6943 4.0675 162.1097@0.98433334 "(163.11586, 2222.16)(164.11613, 450.50662)" 162.1097@0.98433334 FindByFormula + 162.1097 0.98433334 1627.946@9.8452015 "(1628.9534, 9597.72)(1629.9521, 8383.241)(1630.9568, 1995.6699)(1631.9619, 1119.95)" 1627.946@9.8452015 FindByFormula + 1627.946 9.8452015 1628.2808@9.8376665 "(1629.287, 14079.066)(1630.2887, 5945.107)(1631.2892, 1123.8734)(1632.3054, 556.06)" 1628.2808@9.8376665 FindByFormula + 1628.2808 9.8376665 1628.6122@9.864 "(1629.6223, 11623.641)(1630.6245, 3158.075)(1631.6104, 947.70496)(1632.6031, 330.9)" 1628.6122@9.864 FindByFormula + 1628.6122 9.864 1629.0996@13.71925 "(815.5476, 1726.2325)(816.05615, 1774.73)(816.5533, 1500.7725)(817.0596, 795.58997)(834.52795, 2441.31)(835.0295, 2312.75)(835.5305, 1908.3375)(836.02997, 1080.745)(1668.0511, 6844.568)(1669.0531, 7575.5923)(1670.0558, 4327.4824)(1671.0621, 2369.725)(1652.0746, 1441.2799)(1653.0715, 1737.4026)(1654.0779, 1486.765)(1655.0735, 1121.4)(1656.055, 60.34)" 1629.0996@13.71925 FindByFormula + 1629.0996 13.71925 1629.6875@7.054333 "(815.8469, 3953.9531)(816.3515, 3947.843)(816.8504, 1734.3066)" 1629.6875@7.054333 FindByFormula + 1629.6875 7.054333 1633.8435@7.14 "(817.9267, 2270.8667)(818.43066, 2680.9966)(818.9216, 1486.5101)" 1633.8435@7.14 FindByFormula + 1633.8435 7.14 1633.8688@7.9954004 "(815.9246, 921.17004)(816.4318, 663.6359)(816.9259, 394.81403)(1632.8579, 463.96)(1633.8605, 401.17996)" 1633.8688@7.9954004 FindByFormula - 1633.8688 7.9954004 1633.8777@7.9638567 "(817.9386, 3470.2456)(818.4369, 2570.5698)(818.93396, 1890.3738)(819.4341, 1702.4601)(856.4161, 1824.14)(856.9203, 1100.99)(839.92566, 3275.8083)(840.43054, 2125.068)(840.92444, 1775.083)(841.4335, 305.97498)(1634.8702, 5491.1006)(1635.8729, 4981.1343)(1636.871, 2963.9346)(1637.8641, 1139.3073)(1638.864, 515.654)(836.91327, 1543.1342)(837.4228, 1491.1486)(837.92065, 1267.9401)(828.9334, 7885.257)(829.43317, 7116.3)(829.931, 3958.9043)(830.4256, 881.47003)(830.92957, 386.55)(1672.8314, 968.15753)(848.01544, 913.34406)(848.4243, 877.7875)(848.9, 440.72)(1656.8531, 2576.775)(1657.8422, 1946.764)(1658.8463, 1141.0786)(1659.8496, 506.665)(1660.8474, 174.83499)" 1633.8777@7.9638567 FindByFormula + 1633.8777 7.9638567 1633.8826@8.6025 "(817.9505, 8783.96)(818.4452, 7538.495)(818.95074, 4135.3926)(819.4402, 1650.2567)(1635.3772, 1804.845)(1636.3647, 1380.365)(1636.8892, 1559.98)(1672.8405, 226.67)" 1633.8826@8.6025 FindByFormula + 1633.8826 8.6025 1639.8036@7.1349998 "(820.9102, 1399.6068)(821.4095, 1185.4484)(821.90576, 812.8283)(842.8912, 2083.7468)(843.38477, 3162.1233)(843.88873, 872.2067)(1640.8041, 1592.096)(1641.8027, 1309.676)(1642.8025, 829.96747)(1643.8074, 444.315)(839.89197, 1057.36)(840.3946, 766.89)(840.90393, 240.76501)(831.90204, 3148.545)(832.4077, 3096.665)(832.8999, 1637.41)(833.4013, 642.32996)(833.8858, 279.99)" 1639.8036@7.1349998 FindByFormula + 1639.8036 7.1349998 1639.8354@7.1356664 "(820.9119, 944.41)(821.4028, 1045.03)(821.8839, 415.01)(831.9023, 3569.1533)(832.4045, 3320.737)(832.90106, 1674.2233)" 1639.8354@7.1356664 FindByFormula + 1639.8354 7.1356664 164.0538@7.1934614 "(165.06358, 13953.96)(166.06749, 1078.6792)(167.07216, 157.77333)" 164.0538@7.1934614 FindByFormula + 164.0538 7.1934614 164.1241@8.6814995 "(165.13031, 4573.365)(166.13214, 263.45502)" 164.1241@8.6814995 FindByFormula + 164.1241 8.6814995 1640.9095@9.134001 "(1641.9178, 10756.395)(1642.9199, 8853.34)(1643.9277, 5293.205)(1644.9248, 2910.7998)(1645.9001, 1177.1849)" 1640.9095@9.134001 FindByFormula + 1640.9095 9.134001 1640.924@7.4395 "(819.45166, 1344.885)(819.95905, 1188.145)(820.4536, 693.43994)(1639.9194, 1274.275)(1640.915, 1142.3099)(1641.9143, 572.055)" 1640.924@7.4395 FindByFormula - 1640.924 7.4395 1642.618@9.825334 "(1643.626, 12570.427)(1644.6295, 11130.8955)(1645.632, 2404.19)(1646.6338, 328.29)" 1642.618@9.825334 FindByFormula + 1642.618 9.825334 1642.8435@7.9014997 "(822.4349, 3362.48)(822.93365, 2751.1147)(823.4282, 1641.37)(823.9343, 865.625)(824.4242, 144.53)" 1642.8435@7.9014997 FindByFormula + 1642.8435 7.9014997 1642.9539@9.8376665 "(1643.9619, 12661.63)(1644.9601, 5512.143)(1645.9468, 933.81)" 1642.9539@9.8376665 FindByFormula + 1642.9539 9.8376665 1644.8531@7.4915 "(823.4411, 15037.901)(823.94025, 16103.144)(824.4339, 4008.9563)(824.9286, 1394.3049)(1646.1211, 1387.2075)(1647.1239, 1489.6)(1647.8489, 448.66)(1667.8802, 1683.32)(1668.8785, 1372.95)(1669.8821, 1230.27)" 1644.8531@7.4915 FindByFormula + 1644.8531 7.4915 1645.0635@13.6225 "(823.54016, 5547.15)(824.04553, 2049.965)(824.5384, 3543.44)(825.0485, 547.33)(825.5431, 1791.29)(1646.0577, 759.3)(1647.0736, 748.47)(1648.0645, 581.175)(842.5148, 3053.1)(843.01843, 3189.315)(843.5189, 2245.845)(844.0189, 863.68494)(834.5269, 2385.8733)(835.0295, 2307.8801)(835.5286, 2058.5332)(836.0251, 1093.5099)(1668.2922, 4020.8901)(1669.303, 4289.0825)(1670.0557, 3208.64)" 1645.0635@13.6225 FindByFormula + 1645.0635 13.6225 1645.064@13.659399 "(823.5399, 9202.99)(824.043, 3520.22)(824.5409, 6133.15)(825.0491, 505.23)(825.5426, 1674.11)(826.0345, 285.55)(1646.0756, 951.674)(1647.0762, 976.016)(1648.0708, 663.46)(842.51434, 3849.2068)(843.01514, 3879.8733)(843.5154, 2589.5398)(844.0137, 1028.93)(834.5284, 2099.84)(835.0311, 1864.72)(835.53064, 1500.56)(836.03174, 847.225)(1668.0535, 6254.105)(1669.0549, 7182.035)(1670.0594, 4225.46)" 1645.064@13.659399 FindByFormula + 1645.064 13.659399 1645.1885@7.3275 "(823.6061, 5134.4478)(824.1039, 2517.7825)(824.5999, 595.575)(825.10406, 259.23502)(1646.1929, 900.99)(1647.1792, 398.68)" 1645.1885@7.3275 FindByFormula + 1645.1885 7.3275 1645.5217@7.35275 "(823.77313, 11707.6)(824.2697, 3585.8052)(824.7812, 1454.4401)(825.2635, 559.3)(1646.5322, 2705.9675)(1647.5295, 1077.8525)" 1645.5217@7.35275 FindByFormula + 1645.5217 7.35275 1649.8876@6.478125 "(825.95264, 3012.5886)(826.4513, 2650.9001)(826.9531, 1464.805)(827.45776, 863.13)(827.9724, 265.81)(847.9561, 1031.04)(848.4527, 792.4)(1650.8921, 2340.3225)(1651.8906, 1962.875)(1652.8989, 1136.8788)(1653.8971, 474.20142)(1654.9158, 279.58)(844.92847, 629.08997)(845.44025, 772.46)(845.9153, 793.55)(836.9469, 3694.986)(837.4472, 2672.015)(837.9476, 1609.4924)(838.4472, 475.615)" 1649.8876@6.478125 FindByFormula + 1649.8876 6.478125 165.1462@2.0363634 "(166.15222, 13938.757)(167.15489, 950.7518)" 165.1462@2.0363634 FindByFormula + 165.1462 2.0363634 1652.3699@1.9145 "(827.18933, 2641.36)(827.7117, 383.215)(828.1953, 1580.405)" 1652.3699@1.9145 FindByFormula + 1652.3699 1.9145 1653.0554@13.689501 "(827.5375, 3263.795)(828.03723, 512.2)(828.5397, 1984.9551)" 1653.0554@13.689501 FindByFormula + 1653.0554 13.689501 1653.8339@7.2265 "(1652.8292, 543.78503)(1653.8274, 549.425)" 1653.8339@7.2265 FindByFormula - 1653.8339 7.2265 1653.8496@7.1915 "(827.9319, 37440.727)(828.4311, 42481.85)(828.9287, 11016.075)(829.4286, 3128.78)(850.4178, 1044.0)(1654.842, 4661.32)(1655.8431, 5194.9)(1656.8314, 1510.43)(1676.8157, 585.12)(1677.8188, 1292.58)" 1653.8496@7.1915 FindByFormula + 1653.8496 7.1915 1653.8514@7.2117057 "(827.9316, 25128.104)(828.4304, 27931.17)(828.926, 6374.191)(829.42535, 2065.9524)(829.9348, 705.63)(850.41504, 922.115)(1654.9872, 2815.8884)(1655.9237, 2994.6797)(1656.8511, 916.43445)(1657.8522, 218.09999)(1692.7986, 453.22397)(1693.7896, 344.765)(1694.8247, 361.48502)(1676.9736, 903.37)(1677.9735, 633.2257)(1678.8147, 223.8)" 1653.8514@7.2117057 FindByFormula + 1653.8514 7.2117057 1654.1741@7.2114997 "(1655.1754, 997.72)(1655.6548, 235.69)(1656.1772, 479.42)(828.0976, 36589.902)(828.59424, 19496.693)(829.0923, 3425.3215)(829.60004, 1027.8129)(830.1213, 716.0467)(1655.1788, 4064.7307)(1656.1792, 1976.1421)(1657.1763, 397.02225)(1677.1583, 596.64856)" 1654.1741@7.2114997 FindByFormula + 1654.1741 7.2114997 1654.1776@9.7095 "(828.1006, 467.58502)(828.60095, 347.39)" 1654.1776@9.7095 FindByFormula + 1654.1776 9.7095 1654.1888@7.210894 "(828.09924, 36144.24)(828.5975, 19088.814)(829.09595, 3461.8066)" 1654.1888@7.210894 FindByFormula + 1654.1888 7.210894 1654.5116@7.2254667 "(828.2636, 48036.723)(828.76154, 14815.42)(829.2545, 3208.3594)(829.7526, 1139.1228)(1655.5098, 4850.452)(1656.5117, 1509.3943)(1657.5116, 246.755)(1658.5488, 107.87)(847.2361, 625.17)(847.7254, 214.91)(1693.4662, 417.17)" 1654.5116@7.2254667 FindByFormula + 1654.5116 7.2254667 1655.8641@7.9578004 "(828.93085, 10810.575)(829.4321, 9579.872)(829.93195, 5080.838)(830.42804, 1493.4861)(830.93384, 776.195)(866.8743, 643.02)(867.3791, 365.57)(850.92224, 2063.5752)(851.4282, 1755.1902)(851.916, 3199.0352)(1656.8512, 3390.4937)(1657.8522, 3088.396)(1658.8453, 1818.2239)(1659.8499, 714.67004)(839.9243, 4120.6157)(840.42737, 3119.8198)(840.92444, 2493.2952)(1678.8229, 1199.7032)" 1655.8641@7.9578004 FindByFormula + 1655.8641 7.9578004 1655.9152@6.4926667 "(828.96875, 1979.3033)(829.45703, 1625.7134)(829.96564, 782.41327)(839.9561, 2088.7532)(840.4531, 1804.6766)(840.9587, 843.22675)" 1655.9152@6.4926667 FindByFormula + 1655.9152 6.4926667 1657.2964@9.857 "(1658.3047, 9667.55)(1659.307, 8319.695)(1660.3096, 1735.565)" 1657.2964@9.857 FindByFormula + 1657.2964 9.857 1657.9685@9.8335 "(1658.9717, 13759.02)(1659.9763, 4124.84)(1660.9796, 827.88)" 1657.9685@9.8335 FindByFormula + 1657.9685 9.8335 1657.9862@6.5010004 "(829.99963, 1737.515)(830.49615, 2007.0876)(830.9934, 957.485)(831.499, 290.575)(1658.9938, 3934.0437)(1659.9965, 3898.804)(1660.9977, 1980.376)(1662.0027, 985.195)(1680.9739, 3686.5962)(1681.9789, 3322.9421)(1682.982, 1733.6819)(1683.9812, 812.20795)" 1657.9862@6.5010004 FindByFormula + 1657.9862 6.5010004 1660.4587@9.62475 "(1661.4651, 9367.777)(1662.4696, 5758.1626)(1663.4697, 1717.24)" 1660.4587@9.62475 FindByFormula + 1660.4587 9.62475 1661.1652@7.2045007 "(831.592, 5595.381)(832.0902, 7095.9116)(832.58575, 2170.0898)(833.0778, 858.77997)(1662.2712, 1843.823)(1663.2668, 1932.824)(1664.1621, 556.4275)(1665.1492, 65.92)(1684.1553, 535.5467)(1685.1213, 433.885)" 1661.1652@7.2045007 FindByFormula + 1661.1652 7.2045007 1661.1754@7.2066665 "(831.5942, 8941.29)(832.0923, 10971.446)(832.59076, 3274.7266)(1662.1721, 3181.7)(1663.1729, 3297.63)" 1661.1754@7.2066665 FindByFormula + 1661.1754 7.2066665 1661.503@7.206333 "(831.75977, 7110.561)(832.25494, 4222.9214)(832.7574, 1210.3933)(833.24805, 555.10803)(854.2703, 67.96)(1662.5037, 2271.976)(1663.512, 1424.204)(1664.5, 179.83)(1665.4789, 66.97)(851.0726, 511.29666)(851.57983, 391.62332)(843.0793, 1212.61)(843.2358, 505.94)" 1661.503@7.206333 FindByFormula + 1661.503 7.206333 1662.5022@7.2445 "(832.2567, 7240.5146)(832.7634, 2583.62)" 1662.5022@7.2445 FindByFormula + 1662.5022 7.2445 1662.6185@9.851334 "(832.9792, 1764.4033)(833.4787, 1437.38)(834.06433, 659.885)(1663.624, 2219.0)(1664.6324, 2372.9067)(1665.6309, 540.6533)" 1662.6185@9.851334 FindByFormula + 1662.6185 9.851334 1662.8125@7.2437997 "(832.4166, 2181.4924)(832.8975, 1380.6)(833.4162, 1080.77)(862.71454, 424.83334)(862.8747, 208.41)(1685.825, 146.44)(1686.8134, 175.24)" 1662.8125@7.2437997 FindByFormula + 1662.8125 7.2437997 1663.9976@9.132 "(1665.0109, 4210.01)(1666.011, 4225.25)(1667.0138, 2353.5)(1668.0228, 1141.28)" 1663.9976@9.132 FindByFormula + 1663.9976 9.132 1666.4989@7.2128 "(834.2545, 5548.096)(834.75635, 5717.044)(835.25714, 2840.468)(835.7512, 903.8567)(1668.2485, 983.37744)(1668.4996, 970.97675)(1669.5028, 1799.0)(1670.5015, 1636.0465)(1671.5035, 320.09998)(1690.1367, 792.14667)(1690.4634, 208.52)" 1666.4989@7.2128 FindByFormula + 1666.4989 7.2128 1666.8298@7.226 "(834.4225, 11199.755)(834.91815, 7159.505)(835.42487, 4388.92)(835.9188, 2841.7598)(836.4262, 255.37)(856.3968, 409.09)(856.8763, 181.5)(857.3849, 515.15)(1669.3271, 2290.44)(1670.3279, 1280.4)(1671.3243, 436.71503)(1671.8315, 195.79)(1689.8142, 948.62)(1690.8188, 647.78)(1691.7874, 629.8)" 1666.8298@7.226 FindByFormula + 1666.8298 7.226 1672.3053@9.846 "(1673.311, 9610.346)(1674.311, 4677.325)(1675.3184, 885.78)(1676.3204, 307.17)" 1672.3053@9.846 FindByFormula + 1672.3053 9.846 1672.6425@9.8810005 "(1673.6443, 6822.515)(1674.6414, 2161.2551)(1675.6482, 548.27)" 1672.6425@9.8810005 FindByFormula + 1672.6425 9.8810005 1673.8259@7.2015 "(838.1726, 1883.88)(838.6676, 1526.935)(838.9187, 483.88)(1674.8232, 1320.1951)(1675.8275, 1305.86)(1676.8105, 875.0)" 1673.8259@7.2015 FindByFormula + 1673.8259 7.2015 1674.0608@13.71925 "(1675.0726, 14359.242)(1676.0748, 8037.258)(1677.0757, 3433.8174)(1678.0742, 1472.4375)" 1674.0608@13.71925 FindByFormula + 1674.0608 13.71925 1674.1533@7.2045 "(838.0842, 2838.235)(838.5797, 2259.15)(839.0867, 1940.13)(839.578, 1930.28)(1675.1604, 1372.27)(1676.1499, 670.58997)(1677.1511, 855.445)(1678.1499, 859.39)(1679.1383, 260.42)" 1674.1533@7.2045 FindByFormula + 1674.1533 7.2045 1679.9666@6.479666 "(840.98535, 2394.8267)(841.49, 2537.1335)(841.98663, 946.62994)(1680.9766, 4633.0337)(1681.9799, 3961.6367)(1682.9816, 2089.81)(1683.9849, 1011.61005)" 1679.9666@6.479666 FindByFormula + 1679.9666 6.479666 1683.0145@13.717999 "(842.5156, 4418.2866)(843.0184, 4663.777)(843.51807, 2994.4834)(844.018, 1341.0166)" 1683.0145@13.717999 FindByFormula + 1683.0145 13.717999 1684.9337@9.122001 "(1685.9425, 6890.793)(1686.9463, 5284.737)(1687.9453, 3326.7234)(1688.9572, 1774.6469)(1689.9539, 629.265)" 1684.9337@9.122001 FindByFormula + 1684.9337 9.122001 1686.9811@9.874 "(1687.9893, 8619.073)(1688.9873, 4323.9165)(1689.9938, 1131.9633)(1690.9978, 437.59003)" 1686.9811@9.874 FindByFormula + 1686.9811 9.874 1691.9529@9.132 "(846.98474, 15378.503)(847.48413, 8811.17)(847.9833, 3244.505)(848.4833, 912.045)(848.9871, 201.5)" 1691.9529@9.132 FindByFormula + 1691.9529 9.132 1699.4235@7.553 "(850.7167, 2427.19)(851.2179, 1906.1201)(851.717, 1206.13)" 1699.4235@7.553 FindByFormula + 1699.4235 7.553 16-Acetylpriverogenin A "16-Acetylpriverogenin A [ C32 H50 O5, db=66.20, tgt=, overall=66.20, CAS ID=26339-85-5, HMP ID=HMDB34529, METLIN ID=89998 ]" 26339-85-5 "(280.17337, 3888.9492)(280.6746, 1775.1254)(281.17343, 1145.0199)(281.6771, 310.49335)" 16-Acetylpriverogenin A FindByFormula HMDB34529 + 558.3324 14.782727 16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate "16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate [ C22 H31 F O3, db=87.76, tgt=, overall=87.76, KEGG ID=C15253, METLIN ID=70730 ]" "(791.407, 971.8)(385.21414, 11294.526)(386.21695, 3104.8533)(387.2127, 576.745)(407.2003, 1537.6)(408.1876, 491.89)(409.2107, 185.25)" 16beta-Fluoro-17beta-hydroxyandrost-4-en-3-one propionate FindByFormula + C15253 384.2068 9.54325 "16beta-Fluoroandrost-4-ene-3,17-dione" "16beta-Fluoroandrost-4-ene-3,17-dione [ C19 H25 F O2, db=50.16, tgt=, overall=50.16, KEGG ID=C14886, METLIN ID=70389 ]" "(653.3237, 1858.7849)(654.33154, 919.33496)(327.1721, 3761.4)(328.1712, 1173.82)" "16beta-Fluoroandrost-4-ene-3,17-dione" FindByFormula + C14886 326.162 8.2645 "16-Methoxy-2,3-dihydro-3-hydroxytabersonine" "16-Methoxy-2,3-dihydro-3-hydroxytabersonine [ C22 H28 N2 O4, db=92.04, tgt=, overall=92.04, CAS ID=, KEGG ID=C04578, METLIN ID=64334 ]" "(385.21167, 10619.311)(386.21576, 3299.385)(387.21747, 785.085)" "16-Methoxy-2,3-dihydro-3-hydroxytabersonine" FindByFormula + C04578 384.2044 9.592 "16-Methoxy-2,3-dihydro-3-hydroxytabersonine + 9.7715" "16-Methoxy-2,3-dihydro-3-hydroxytabersonine [ C22 H28 N2 O4, db=89.38, tgt=, overall=89.38, CAS ID=, KEGG ID=C04578, METLIN ID=64334 ]" "(385.21173, 7637.925)(386.2167, 2161.675)(387.2133, 540.31)" "16-Methoxy-2,3-dihydro-3-hydroxytabersonine + 9.7715" FindByFormula + C04578 384.2037 9.7715 16-phenoxy tetranor Prostaglandin A2 "16-phenoxy tetranor Prostaglandin A2 [ C22 H26 O5, db=87.75, tgt=, overall=87.75, CAS ID=51639-10-2, METLIN ID=45407 ]" 51639-10-2 "(369.1723, 3016.3113)(370.1753, 753.4376)(371.17502, 242.717)" 16-phenoxy tetranor Prostaglandin A2 FindByFormula - 370.1801 11.350231 16-phenoxy tetranor Prostaglandin A2 - 11.3645 "16-phenoxy tetranor Prostaglandin A2 [ C22 H26 O5, db=93.66, tgt=, overall=93.66, CAS ID=51639-10-2, METLIN ID=45407 ]" 51639-10-2 "(369.17227, 2795.6675)(370.17505, 704.1388)(371.1753, 79.75)" 16-phenoxy tetranor Prostaglandin A2 - 11.3645 FindByFormula - 370.1793 11.3645 16-phenoxy tetranor Prostaglandin A2 - 12.292 "16-phenoxy tetranor Prostaglandin A2 [ C22 H26 O5, db=83.59, tgt=, overall=83.59, CAS ID=51639-10-2, METLIN ID=45407 ]" 51639-10-2 "(369.17255, 992.825)(370.1756, 299.33002)(371.169, 30.15)" 16-phenoxy tetranor Prostaglandin A2 - 12.292 FindByFormula - 370.1797 12.292 16-phenoxy tetranor Prostaglandin A2 - 12.292 :1 "16-phenoxy tetranor Prostaglandin A2 [ C22 H26 O5, db=83.59, tgt=, overall=83.59, CAS ID=51639-10-2, METLIN ID=45407 ]" 51639-10-2 "(369.17255, 992.825)(370.1756, 299.33002)(371.169, 30.15)" 16-phenoxy tetranor Prostaglandin A2 - 12.292 :1 FindByFormula - 370.18 12.292 "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione" "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione [ C21 H27 F O4, db=69.87, tgt=, overall=69.87, CAS ID=336-77-6, KEGG ID=C15309, METLIN ID=70782 ]" 336-77-6 "(385.1793, 1204.9567)(386.18118, 260.70667)(387.1802, 176.7)" "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione" FindByFormula + C15309 384.1713 23.472666 "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione + 22.7405" "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione [ C21 H27 F O4, db=73.37, tgt=, overall=73.37, CAS ID=336-77-6, KEGG ID=C15309, METLIN ID=70782 ]" 336-77-6 "(385.1774, 1455.135)(386.18243, 272.59)(387.1797, 146.6)" "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione + 22.7405" FindByFormula + C15309 384.17 22.7405 "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione + 23.987999" "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione [ C21 H27 F O4, db=75.56, tgt=, overall=75.56, CAS ID=336-77-6, KEGG ID=C15309, METLIN ID=70782 ]" 336-77-6 "(385.17798, 5882.0674)(386.18274, 1199.035)(387.17856, 604.44745)" "17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione + 23.987999" FindByFormula + C15309 384.1701 23.987999 1701.8792@7.8125 "(851.94995, 4566.3477)(852.44867, 4341.343)(852.95105, 2197.3425)" 1701.8792@7.8125 FindByFormula + 1701.8792 7.8125 171.1327@3.2244618 "(172.13963, 15469.828)(173.1387, 680.08075)" 171.1327@3.2244618 FindByFormula + 171.1327 3.2244618 172.05@9.742667 "(367.0894, 246.56)(173.0578, 2270.42)(174.0652, 385.01)(195.03969, 1968.0668)(196.03767, 154.92332)" 172.05@9.742667 FindByFormula + 172.05 9.742667 172.068@3.17725 "(173.07518, 11271.33)(174.07574, 1507.5088)(175.07208, 184.235)" 172.068@3.17725 FindByFormula + 172.068 3.17725 173.9978@5.4166 "(172.99062, 4708.214)(173.99353, 387.70203)(174.9879, 241.88599)" 173.9978@5.4166 FindByFormula - 173.9978 5.4166 1748.904@6.6235 "(875.45886, 4255.345)(875.95874, 778.765)(876.464, 3730.79)(876.9385, 939.21)(877.4596, 1876.43)(877.9425, 106.5)" 1748.904@6.6235 FindByFormula + 1748.904 6.6235 175.0326@2.1495 "(176.0408, 424.46503)(177.0392, 92.67)" 175.0326@2.1495 FindByFormula + 175.0326 2.1495 175.9638@27.267456 "(174.95644, 5347.225)(175.9597, 213.27866)" 175.9638@27.267456 FindByFormula - 175.9638 27.267456 1751.025@6.9125 "(876.51526, 2672.5498)(877.0324, 2394.105)(877.5155, 1677.9199)(878.0217, 785.75)(887.5, 1041.19)(888.0183, 405.52)" 1751.025@6.9125 FindByFormula + 1751.025 6.9125 1762.6626@9.716 "(882.3316, 5507.6353)(882.8172, 2091.8)(883.329, 2906.755)" 1762.6626@9.716 FindByFormula + 1762.6626 9.716 1766.4404@9.813999 "(882.214, 1551.62)(882.70764, 1544.655)" 1766.4404@9.813999 FindByFormula - 1766.4404 9.813999 1766.639@9.738 "(882.31396, 2182.15)(882.81213, 1286.79)" 1766.639@9.738 FindByFormula - 1766.639 9.738 1766.8342@9.777333 "(882.41113, 2064.4302)(882.9129, 704.14667)" 1766.8342@9.777333 FindByFormula - 1766.8342 9.777333 177.986@0.96099997 "(378.9659, 444.2)(178.99345, 6456.9897)(179.99916, 431.09)(200.97499, 2405.4966)" 177.986@0.96099997 FindByFormula + 177.986 0.96099997 1778.9789@9.181 "(890.50616, 18465.352)(891.0098, 15630.303)(891.5093, 8599.6455)(892.0093, 3534.9478)(892.51465, 1401.5101)(892.9893, 533.78)" 1778.9789@9.181 FindByFormula + 1778.9789 9.181 1780.0029@9.1797495 "(891.00867, 14813.5625)(891.50867, 8050.2075)(892.00824, 3093.3052)(892.51556, 1496.1466)" 1780.0029@9.1797495 FindByFormula + 1780.0029 9.1797495 1787.9266@8.5205 "(894.97034, 7247.7847)(895.4673, 6483.125)(895.96014, 2834.44)(896.4606, 2457.5)(905.9605, 6204.745)(906.46106, 5267.6304)(906.959, 3293.45)(907.4648, 1767.17)" 1787.9266@8.5205 FindByFormula + 1787.9266 8.5205 179.0939@1.536 "(180.10214, 7205.99)(181.1017, 952.07)(202.0835, 755.19495)" 179.0939@1.536 FindByFormula + 179.0939 1.536 179.0944@12.0035 "(180.10199, 5384.435)(181.10275, 602.69995)" 179.0944@12.0035 FindByFormula + 179.0944 12.0035 179.0949@8.9436 "(180.10233, 4302.372)(181.10066, 631.23)" 179.0949@8.9436 FindByFormula + 179.0949 8.9436 179.0952@9.61025 "(180.10199, 2990.1724)(181.1055, 450.50998)" 179.0952@9.61025 FindByFormula + 179.0952 9.61025 179.0956@8.511333 "(180.10298, 16974.338)(181.10516, 2363.8533)" 179.0956@8.511333 FindByFormula + 179.0956 8.511333 "17-alpha, 21-Dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide" "17-alpha, 21-Dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide [ C27 H40 O11, db=50.69, tgt=, overall=50.69, CAS ID=, METLIN ID=4094 ]" "(541.2669, 11731.484)(542.27356, 4080.98)(563.2403, 116.77)" "17-alpha, 21-Dihydroxy-11,20-dioxo-5-beta-pregnan-3-alpha-yl-beta-d-glucuronide" FindByFormula + 540.26 7.826 17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide) "17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide) [ C24 H32 O11 S, db=46.95, tgt=, overall=46.95, CAS ID=26923-03-5, Lipid ID=LMST05010018, KEGG ID=C11289, METLIN ID=43179 ]" 26923-03-5 "(551.15814, 5097.135)(552.1626, 770.275)(553.167, 949.22)" 17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide) FindByFormula + C11289 LMST05010018 550.1505 1.2255 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate "17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate [ C19 H26 O4, db=66.70, tgt=, overall=66.70, KEGG ID=C15151, METLIN ID=70641 ]" "(160.09836, 3081.0872)(160.60179, 94.6)(161.0997, 202.96667)" 17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate FindByFormula + C15151 318.1824 1.0025 17-phenyl trinor Prostaglandin F2alpha cyclopropyl amide "17-phenyl trinor Prostaglandin F2alpha cyclopropyl amide [ C26 H37 N O4, db=7.68, tgt=, overall=7.68, METLIN ID=45284 ]" "(450.2627, 997.655)(450.7657, 614.70496)(451.2636, 388.08)" 17-phenyl trinor Prostaglandin F2alpha cyclopropyl amide FindByFormula + 898.512 2.315 17-Propyl-5alpha-androst-2-en-17beta-ol "17-Propyl-5alpha-androst-2-en-17beta-ol [ C22 H36 O, db=94.35, tgt=, overall=94.35, KEGG ID=C14933, METLIN ID=70435 ]" "(339.26654, 6597.124)(340.2695, 1908.14)(341.2709, 300.242)" 17-Propyl-5alpha-androst-2-en-17beta-ol FindByFormula + C14933 338.2572 13.7214 "17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1alpha" "17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1alpha [ C24 H35 F3 O5, db=96.80, tgt=, overall=96.80, METLIN ID=45619 ]" "(919.4775, 577.21)(459.23703, 10731.287)(460.24048, 3188.7275)(461.24237, 670.6275)" "17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1alpha" FindByFormula - 460.2436 10.6715 "17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1alpha - 10.622601" "17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1alpha [ C24 H35 F3 O5, db=96.64, tgt=, overall=96.64, METLIN ID=45619 ]" "(919.4763, 57.64)(459.23706, 8989.5625)(460.24054, 2684.852)(461.24225, 542.76996)" "17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F1alpha - 10.622601" FindByFormula - 460.2433 10.622601 180.0292@8.651668 "(181.03723, 3408.0535)(182.0381, 275.00333)(183.03255, 353.8033)" 180.0292@8.651668 FindByFormula + 180.0292 8.651668 181.0505@6.8145 "(182.05827, 3153.5776)(183.05994, 245.80501)" 181.0505@6.8145 FindByFormula + 181.0505 6.8145 181.1441@1.1548182 "(385.27505, 1672.6084)(386.2744, 716.11)(387.26788, 774.398)(182.15088, 9177.3)(183.14865, 665.4991)(184.14842, 512.52246)" 181.1441@1.1548182 FindByFormula + 181.1441 1.1548182 181.9541@26.9115 "(182.96194, 2378.375)(183.96405, 672.73)(184.96036, 1054.095)" 181.9541@26.9115 FindByFormula + 181.9541 26.9115 181.9544@26.91725 "(182.96204, 3207.3572)(183.96346, 804.74)(184.96011, 1132.63)" 181.9544@26.91725 FindByFormula + 181.9544 26.91725 1816.9332@7.398 "(907.45917, 1004.9425)(907.9585, 833.06)(908.46375, 481.34)" 1816.9332@7.398 FindByFormula - 1816.9332 7.398 183.0657@13.734668 "(184.0732, 1225.9233)(185.07921, 63.073334)" 183.0657@13.734668 FindByFormula + 183.0657 13.734668 183.0851@0.962 "(184.09111, 5674.5674)(185.09529, 460.805)" 183.0851@0.962 FindByFormula + 183.0851 0.962 183.1258@2.7805 "(389.24005, 1246.855)(390.24054, 467.315)(184.1329, 52.73)" 183.1258@2.7805 FindByFormula + 183.1258 2.7805 1838.921@7.3999996 "(918.45337, 801.34)(918.94934, 758.58)" 1838.921@7.3999996 FindByFormula - 1838.921 7.3999996 184.9537@0.8908334 "(185.96106, 6508.3833)(186.96082, 264.93167)(187.9576, 780.88666)" 184.9537@0.8908334 FindByFormula + 184.9537 0.8908334 1856.9438@7.1145 "(929.4751, 11999.1)(929.9875, 976.87)(930.4827, 6517.65)(951.4687, 1873.24)(951.9751, 1025.57)" 1856.9438@7.1145 FindByFormula + 1856.9438 7.1145 1859.0449@9.636499 "(930.53, 14692.97)(931.02783, 6708.365)(931.5302, 1405.315)(932.0545, 940.58)" 1859.0449@9.636499 FindByFormula + 1859.0449 9.636499 186.1757@1.069 "(187.18176, 1205.32)(188.1756, 215.74)" 186.1757@1.069 FindByFormula + 186.1757 1.069 1866.0023@6.435 "(934.00415, 1787.66)(934.5124, 1572.91)(935.00226, 916.8433)(935.50366, 644.115)(955.9907, 2895.5833)(956.4986, 2762.18)(956.9886, 1569.9833)(957.498, 1006.815)(944.9969, 2741.8933)(945.50055, 2786.6501)(946.00006, 1613.6733)(946.4872, 951.82495)(964.321, 759.63007)(964.4889, 1330.28)(964.9703, 899.79)" 1866.0023@6.435 FindByFormula + 1866.0023 6.435 187.0639@6.8175993 "(188.07152, 24269.07)(189.07372, 3277.1543)(226.0265, 242.25)(210.05295, 3614.45)(211.05392, 479.53748)" 187.0639@6.8175993 FindByFormula + 187.0639 6.8175993 188.0158@9.75225 "(189.02286, 5751.9873)(190.02577, 601.015)" 188.0158@9.75225 FindByFormula + 188.0158 9.75225 188.1178@1.9082 "(187.11055, 2311.7798)(188.1123, 209.18001)" 188.1178@1.9082 FindByFormula - 188.1178 1.9082 188.1405@11.048462 "(187.13347, 2935.6533)(188.1371, 308.10922)" 188.1405@11.048462 FindByFormula - 188.1405 11.048462 1887.9836@6.4095 "(944.9969, 3493.8853)(945.5001, 3067.9302)(945.99585, 1846.0801)(966.9791, 3754.0)(967.4875, 3269.03)(967.9824, 2223.77)" 1887.9836@6.4095 FindByFormula + 1887.9836 6.4095 1888.5481@9.653 "(945.2814, 4619.0947)(945.7776, 3673.35)(946.2815, 1650.77)" 1888.5481@9.653 FindByFormula + 1888.5481 9.653 1893.9346@7.352 "(947.9724, 3625.58)(948.475, 8066.195)(948.9708, 4405.775)(949.4794, 984.79504)(949.9658, 567.49)" 1893.9346@7.352 FindByFormula + 1893.9346 7.352 1894.4398@7.357875 "(948.22205, 9106.395)(948.7203, 8348.032)(949.22144, 3720.7175)(949.72235, 1063.7571)(950.2106, 462.14)(967.7199, 1439.84)(968.24036, 927.32495)(959.20746, 3016.7651)(959.7155, 2022.75)" 1894.4398@7.357875 FindByFormula + 1894.4398 7.357875 1894.9774@7.3543334 "(948.4809, 14574.655)(948.9756, 7568.012)(949.47894, 1863.6984)(949.9685, 938.635)" 1894.9774@7.3543334 FindByFormula + 1894.9774 7.3543334 "18-hydroxy-9S,10R-dihydroxy-stearic acid" "18-hydroxy-9S,10R-dihydroxy-stearic acid [ C18 H36 O5, db=97.79, tgt=, overall=97.79, Lipid ID=LMFA02000005, METLIN ID=36012 ]" "(355.24597, 12585.466)(356.2496, 2474.5076)(357.2427, 177.76)(377.22925, 1681.375)(378.23242, 253.13998)(379.2416, 75.15)" "18-hydroxy-9S,10R-dihydroxy-stearic acid" FindByFormula + LMFA02000005 354.2387 10.49 "18-hydroxy-9S,10R-dihydroxy-stearic acid - 10.489667" "18-hydroxy-9S,10R-dihydroxy-stearic acid [ C18 H36 O5, db=82.03, tgt=, overall=82.03, Lipid ID=LMFA02000005, METLIN ID=36012 ]" "(331.2481, 4811.4136)(332.2515, 1025.3967)" "18-hydroxy-9S,10R-dihydroxy-stearic acid - 10.489667" FindByFormula - LMFA02000005 332.2532 10.489667 "18-hydroxy-9S,10R-dihydroxy-stearic acid + 10.554501" "18-hydroxy-9S,10R-dihydroxy-stearic acid [ C18 H36 O5, db=83.40, tgt=, overall=83.40, Lipid ID=LMFA02000005, METLIN ID=36012 ]" "(355.2461, 18247.86)(356.2497, 3852.8853)" "18-hydroxy-9S,10R-dihydroxy-stearic acid + 10.554501" FindByFormula + LMFA02000005 354.2401 10.554501 "19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol" "19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol [ C25 H42 O5, db=65.09, tgt=, overall=65.09, Lipid ID=LMPR0104150003, METLIN ID=53639 ]" "(445.2938, 2281.605)(446.2906, 783.695)" "19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol" FindByFormula + LMPR0104150003 444.2849 21.3635 1905.447@7.3570004 "(953.72614, 22878.281)(954.22565, 22182.0)(954.72363, 7285.6504)(955.219, 2805.4602)" 1905.447@7.3570004 FindByFormula + 1905.447 7.3570004 1905.9229@7.35 "(953.96594, 7823.875)(954.4724, 4907.1353)(954.9644, 2307.255)" 1905.9229@7.35 FindByFormula + 1905.9229 7.35 1906.4252@7.335 "(954.2201, 26441.16)(954.71643, 11058.475)(955.2223, 3819.525)" 1906.4252@7.335 FindByFormula + 1906.4252 7.335 1909.1263@6.548 "(955.5594, 1856.2802)(956.0524, 1843.1299)(956.5523, 3316.49)(977.54987, 9942.136)(978.0435, 9443.783)(978.54083, 5906.0)(979.0452, 2127.11)(979.5165, 567.2)(966.5569, 4310.66)(967.0528, 5006.283)(967.55664, 2713.3167)(968.042, 1150.6766)(968.5532, 571.32)(985.5188, 503.88)(986.0326, 426.23)(986.5396, 180.94)" 1909.1263@6.548 FindByFormula + 1909.1263 6.548 191.0291@1.2435 "(192.03766, 1147.74)(193.0369, 245.315)" 191.0291@1.2435 FindByFormula + 191.0291 1.2435 1910.5587@9.636499 "(956.2892, 4776.2754)(956.7919, 4373.1396)(957.294, 1981.01)(957.7864, 307.98)" 1910.5587@9.636499 FindByFormula + 1910.5587 9.636499 1911.0739@9.226333 "(956.54425, 8658.594)(957.04913, 7178.9497)(957.5468, 4854.52)(958.0404, 2253.8252)" 1911.0739@9.226333 FindByFormula + 1911.0739 9.226333 1911.0787@9.2195 "(956.54395, 9902.555)(957.0514, 7921.79)(957.5465, 5388.715)(958.056, 2389.76)(958.5468, 90.65)" 1911.0787@9.2195 FindByFormula + 1911.0787 9.2195 1917.6434@9.248501 "(959.8313, 7995.385)(960.3285, 12176.324)(960.82947, 3004.67)(961.3343, 861.06)" 1917.6434@9.248501 FindByFormula + 1917.6434 9.248501 1917.8857@9.2785 "(959.95575, 5525.37)(960.46027, 3482.33)(960.95685, 1323.25)(961.426, 265.76)" 1917.8857@9.2785 FindByFormula + 1917.8857 9.2785 1919.6453@9.653 "(960.82275, 5283.715)(961.32446, 4063.185)(961.8172, 5425.85)" 1919.6453@9.653 FindByFormula + 1919.6453 9.653 1922.6171@9.6665 "(962.3165, 5182.8047)(962.8096, 2644.755)" 1922.6171@9.6665 FindByFormula + 1922.6171 9.6665 1924.0929@9.698999 "(963.0522, 9441.82)(963.551, 16088.785)(964.051, 8075.545)(964.54614, 1981.14)(965.0548, 1373.54)" 1924.0929@9.698999 FindByFormula + 1924.0929 9.698999 193.1108@8.0825 "(194.11655, 1666.1001)(195.1159, 333.58002)" 193.1108@8.0825 FindByFormula + 193.1108 8.0825 1931.0363@8.200001 "(964.51074, 673.21)(965.0117, 551.48)(965.51276, 433.14502)" 1931.0363@8.200001 FindByFormula - 1931.0363 8.200001 1939.1875@9.285999 "(1000.574, 3037.5)(1001.07874, 2872.305)(1001.5768, 1503.8401)" 1939.1875@9.285999 FindByFormula + 1939.1875 9.285999 1941.6445@9.6665 "(971.82336, 3419.775)(972.3259, 2734.7449)(972.819, 2890.29)" 1941.6445@9.6665 FindByFormula + 1941.6445 9.6665 1943.0404@7.3865004 "(972.515, 6489.36)(973.0322, 5152.32)(994.5131, 6308.085)(995.0217, 2834.4248)(983.5116, 7241.87)(984.0182, 3428.39)(984.5173, 1249.02)(985.0182, 151.24)" 1943.0404@7.3865004 FindByFormula + 1943.0404 7.3865004 1952.2067@9.0945 "(977.113, 4375.77)(977.614, 743.69)(978.1053, 1998.99)(999.3408, 412.445)(999.576, 577.9)" 1952.2067@9.0945 FindByFormula + 1952.2067 9.0945 1953.081@6.5415 "(977.54846, 2315.81)(978.04486, 2909.99)(978.5327, 1744.8899)(979.0452, 763.96497)(988.5323, 2093.075)(989.03357, 3151.365)(989.5374, 1391.13)(990.0297, 821.435)" 1953.081@6.5415 FindByFormula + 1953.081 6.5415 1954.5889@9.674999 "(978.3011, 4325.67)(978.7998, 3546.27)(979.30914, 1873.0249)(979.8085, 1168.67)" 1954.5889@9.674999 FindByFormula + 1954.5889 9.674999 197.0771@0.935 "(198.08678, 2647.1833)(199.08557, 413.1067)(236.0428, 752.19)" 197.0771@0.935 FindByFormula + 197.0771 0.935 197.9332@0.69937503 "(198.94086, 3772.1738)(199.94049, 572.83246)(200.93724, 401.38876)" 197.9332@0.69937503 FindByFormula + 197.9332 0.69937503 1983.9893@6.941 "(992.9977, 7253.908)(993.5014, 6381.7373)(994.0002, 4005.1125)(994.50507, 1472.1475)(1015.2257, 640.22)(1015.70795, 124.92)(1003.9904, 1262.2899)(1004.49493, 2046.5166)(1004.993, 1843.07)" 1983.9893@6.941 FindByFormula + 1983.9893 6.941 1993.1897@9.202499 "(997.5985, 29975.734)(998.09753, 14783.506)(998.5875, 4604.645)(999.0727, 1050.5)(1036.5286, 152.29)" 1993.1897@9.202499 FindByFormula + 1993.1897 9.202499 19-Hydroxytotarol "19-Hydroxytotarol [ C20 H30 O2, db=94.54, tgt=, overall=94.54, CAS ID=2288-33-7, METLIN ID=43694 ]" 2288-33-7 "(303.2315, 6664.749)(304.2336, 1613.4486)(305.23825, 340.46667)(341.186, 378.545)" 19-Hydroxytotarol FindByFormula + 302.2243 15.706429 19-Hydroxytotarol + 15.709 "19-Hydroxytotarol [ C20 H30 O2, db=92.67, tgt=, overall=92.67, CAS ID=2288-33-7, METLIN ID=43694 ]" 2288-33-7 "(303.2318, 8938.71)(304.23358, 2346.625)(305.23706, 231.22)" 19-Hydroxytotarol + 15.709 FindByFormula + 302.2247 15.709 19-Hydroxytotarol + 16.1622 "19-Hydroxytotarol [ C20 H30 O2, db=69.47, tgt=, overall=69.47, CAS ID=2288-33-7, METLIN ID=43694 ]" 2288-33-7 "(303.23138, 2479.3262)(304.23373, 701.89197)(305.22723, 246.435)" 19-Hydroxytotarol + 16.1622 FindByFormula + 302.2234 16.1622 19R-hydroxy-PGA2 "19R-hydroxy-PGA2 [ C20 H30 O5, db=81.42, tgt=, overall=81.42, CAS ID=52087-58-8, Lipid ID=LMFA03010166, METLIN ID=36213 ]" 52087-58-8 "(349.2018, 1328.9983)(350.20493, 336.36)" 19R-hydroxy-PGA2 FindByFormula - LMFA03010166 350.2101 10.0705 19R-hydroxy-PGA2 - 10.257 "19R-hydroxy-PGA2 [ C20 H30 O5, db=83.21, tgt=, overall=83.21, CAS ID=52087-58-8, Lipid ID=LMFA03010166, METLIN ID=36213 ]" 52087-58-8 "(349.20184, 4305.5303)(350.20435, 890.43005)" 19R-hydroxy-PGA2 - 10.257 FindByFormula - LMFA03010166 350.2101 10.257 19R-hydroxy-PGA2 - 10.802418 "19R-hydroxy-PGA2 [ C20 H30 O5, db=79.21, tgt=, overall=79.21, CAS ID=52087-58-8, Lipid ID=LMFA03010166, METLIN ID=36213 ]" 52087-58-8 "(349.20078, 3984.1074)(350.20398, 912.61993)" 19R-hydroxy-PGA2 - 10.802418 FindByFormula - LMFA03010166 350.21 10.802418 19R-hydroxy-PGA2 - 10.808 "19R-hydroxy-PGA2 [ C20 H30 O5, db=79.49, tgt=, overall=79.49, CAS ID=52087-58-8, Lipid ID=LMFA03010166, METLIN ID=36213 ]" 52087-58-8 "(349.2008, 3680.5886)(350.204, 834.3217)" 19R-hydroxy-PGA2 - 10.808 FindByFormula - LMFA03010166 350.2103 10.808 19R-hydroxy-PGA2 + 11.157333 "19R-hydroxy-PGA2 [ C20 H30 O5, db=60.18, tgt=, overall=60.18, CAS ID=52087-58-8, Lipid ID=LMFA03010166, METLIN ID=36213 ]" 52087-58-8 "(351.21497, 518.37335)(352.21716, 223.05)(373.199, 1736.34)(374.1999, 630.13)" 19R-hydroxy-PGA2 + 11.157333 FindByFormula + LMFA03010166 350.2067 11.157333 19R-hydroxy-PGA2 + 11.227 "19R-hydroxy-PGA2 [ C20 H30 O5, db=59.39, tgt=, overall=59.39, CAS ID=52087-58-8, Lipid ID=LMFA03010166, METLIN ID=36213 ]" 52087-58-8 "(373.1979, 2082.8435)(374.20004, 788.34)" 19R-hydroxy-PGA2 + 11.227 FindByFormula + LMFA03010166 372.1889 11.227 "1a,1b-dihomo-PGD2" "1a,1b-dihomo-PGD2 [ C22 H36 O5, db=72.97, tgt=, overall=72.97, Lipid ID=LMFA03010156, METLIN ID=36205 ]" "(381.26205, 1588.5461)(382.2658, 466.42804)" "1a,1b-dihomo-PGD2" FindByFormula + LMFA03010156 380.2558 10.023601 "1a,1b-dihomo-PGD2 + 10.051333" "1a,1b-dihomo-PGD2 [ C22 H36 O5, db=79.31, tgt=, overall=79.31, Lipid ID=LMFA03010156, METLIN ID=36205 ]" "(381.2623, 1722.0433)(382.26675, 427.81003)" "1a,1b-dihomo-PGD2 + 10.051333" FindByFormula + LMFA03010156 380.2553 10.051333 "1a,1b-dihomo-PGE1" "1a,1b-dihomo-PGE1 [ C22 H38 O5, db=98.01, tgt=, overall=98.01, Lipid ID=LMFA03010108, METLIN ID=36171 ]" "(405.26083, 9614.921)(406.26437, 2522.9973)(407.26483, 499.81927)" "1a,1b-dihomo-PGE1" FindByFormula + LMFA03010108 404.253 16.230764 "1a,1b-dihomo-PGE1 - 10.923" "1a,1b-dihomo-PGE1 [ C22 H38 O5, db=98.35, tgt=, overall=98.35, Lipid ID=LMFA03010108, METLIN ID=36171 ]" "(381.2648, 6308.9873)(382.2682, 1601.5475)(383.26874, 349.935)" "1a,1b-dihomo-PGE1 - 10.923" FindByFormula - LMFA03010108 382.2714 10.923 "1a,1b-dihomo-PGE1 - 11.032287" "1a,1b-dihomo-PGE1 [ C22 H38 O5, db=96.34, tgt=, overall=96.34, Lipid ID=LMFA03010108, METLIN ID=36171 ]" "(381.26392, 6166.242)(382.2667, 1536.7113)(383.26788, 146.325)" "1a,1b-dihomo-PGE1 - 11.032287" FindByFormula - LMFA03010108 382.2712 11.032287 "1a,1b-dihomo-PGE1 + 15.984999" "1a,1b-dihomo-PGE1 [ C22 H38 O5, db=63.87, tgt=, overall=63.87, Lipid ID=LMFA03010108, METLIN ID=36171 ]" "(405.26056, 2670.4526)(406.2611, 988.3575)(407.2674, 626.1)" "1a,1b-dihomo-PGE1 + 15.984999" FindByFormula + LMFA03010108 404.253 15.984999 "1a,1b-dihomo-PGE1 + 16.239643" "1a,1b-dihomo-PGE1 [ C22 H38 O5, db=98.98, tgt=, overall=98.98, Lipid ID=LMFA03010108, METLIN ID=36171 ]" "(405.26105, 9340.785)(406.26468, 2410.2954)(407.2666, 502.31903)" "1a,1b-dihomo-PGE1 + 16.239643" FindByFormula + LMFA03010108 404.2542 16.239643 "1a,1b-dihomo-PGE1 + 16.241062" "1a,1b-dihomo-PGE1 [ C22 H38 O5, db=98.64, tgt=, overall=98.64, Lipid ID=LMFA03010108, METLIN ID=36171 ]" "(405.26102, 10122.677)(406.26453, 2611.2104)(407.26517, 521.1733)" "1a,1b-dihomo-PGE1 + 16.241062" FindByFormula + LMFA03010108 404.2536 16.241062 "1a,1b-dihomo-PGE1 + 16.582144" "1a,1b-dihomo-PGE1 [ C22 H38 O5, db=81.98, tgt=, overall=81.98, Lipid ID=LMFA03010108, METLIN ID=36171 ]" "(405.26065, 2805.1301)(406.26443, 728.91425)" "1a,1b-dihomo-PGE1 + 16.582144" FindByFormula + LMFA03010108 404.2539 16.582144 "1alpha,25-dihydroxy-24-norvitamin D3" "1alpha,25-dihydroxy-24-norvitamin D3 [ C26 H42 O3, db=92.11, tgt=, overall=92.11, Lipid ID=LMST03020046, METLIN ID=41987 ]" "(403.32132, 5785.8203)(404.32388, 1957.4434)(405.32486, 447.75668)" "1alpha,25-dihydroxy-24-norvitamin D3" FindByFormula + LMST03020046 402.3131 10.991 1-alpha-Acevaltrate "1-alpha-Acevaltrate [ C24 H32 O10, db=74.23, tgt=, overall=74.23, CAS ID=78700-02-4, HMP ID=HMDB33653, METLIN ID=89452 ]" 78700-02-4 "(503.18793, 2226.03)(504.18927, 543.575)" 1-alpha-Acevaltrate FindByFormula HMDB33653 + 502.1797 17.144001 1-Aminocyclohexanecarboxylic acid "1-Aminocyclohexanecarboxylic acid [ C7 H13 N O2, db=68.18, tgt=, overall=68.18, CAS ID=2756-85-6, HMP ID=HMDB02279, METLIN ID=6589 ]" 2756-85-6 "(144.1024, 6145.4976)(145.10202, 887.4499)" 1-Aminocyclohexanecarboxylic acid FindByFormula HMDB02279 + 143.0957 1.0480715 1-Benzylimidazole "1-Benzylimidazole [ C10 H10 N2, db=47.28, tgt=, overall=47.28, CAS ID=4238-71-5, METLIN ID=63058 ]" 4238-71-5 "(137.10612, 14562.638)(138.10567, 864.5054)(159.09192, 16993.832)" 1-Benzylimidazole FindByFormula + 136.0995 1.1620525 1-Benzylimidazole + 4.407857 "1-Benzylimidazole [ C10 H10 N2, db=65.86, tgt=, overall=65.86, CAS ID=4238-71-5, METLIN ID=63058 ]" 4238-71-5 "(159.09163, 3544.9382)(160.09045, 643.1557)" 1-Benzylimidazole + 4.407857 FindByFormula + 158.0847 4.407857 "1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one" "1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one [ C19 H30 O5, mfg=84.67, db=84.62, tgt=, overall=84.64, Lipid ID=LMST02020108, METLIN ID=84294 ]" "(339.21677, 18796.713)(340.21997, 4047.1433)" "1beta,3beta,5alpha,6beta-tetrahydroxyandrostan-17-one" FindByFormula + LMST02020108 338.2082 17.523 1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol "1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol [ C36 H68 O17, db=78.54, tgt=, overall=78.54, Lipid ID=LMGL04010001, METLIN ID=46631 ]" "(773.4517, 54485.047)(774.4531, 24239.576)(775.44775, 6777.803)(811.4164, 6359.86)(812.4148, 2459.72)(795.4319, 51334.816)(796.436, 22617.842)(797.4331, 8843.76)" 1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol FindByFormula + LMGL04010001 772.4419 8.725667 1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol + 8.73 "1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol [ C36 H68 O17, db=87.35, tgt=, overall=87.35, Lipid ID=LMGL04010001, METLIN ID=46631 ]" "(795.4378, 99564.05)(796.44, 43331.336)(797.4363, 11953.26)(798.4371, 2259.58)" 1-hexadecanyl-2-((2'-alpha-glucosyl)-beta-glucosyl)-3-beta-xylosyl-sn-glycerol + 8.73 FindByFormula + LMGL04010001 794.429 8.73 1-Hexadecylamine "1-Hexadecylamine [ C16 H35 N, db=99.60, tgt=, overall=99.60, CAS ID=143-27-1, METLIN ID=4110 ]" 143-27-1 "(242.28424, 6487.6313)(243.2873, 1208.9554)(244.2894, 145.9505)" 1-Hexadecylamine FindByFormula + 241.277 14.13291 1-Hexadecylamine + 10.346624 "1-Hexadecylamine [ C16 H35 N, db=86.39, tgt=, overall=86.39, CAS ID=143-27-1, METLIN ID=4110 ]" 143-27-1 "(242.28429, 4533.4434)(243.2876, 891.33075)" 1-Hexadecylamine + 10.346624 FindByFormula + 241.2764 10.346624 1-Hexadecylamine + 14.139227 "1-Hexadecylamine [ C16 H35 N, db=86.39, tgt=, overall=86.39, CAS ID=143-27-1, METLIN ID=4110 ]" 143-27-1 "(242.28413, 6396.8877)(243.28712, 1239.81)" 1-Hexadecylamine + 14.139227 FindByFormula + 241.2758 14.139227 1-Hydroxyacorenone "1-Hydroxyacorenone [ C15 H22 O3, db=78.21, tgt=, overall=78.21, CAS ID=185154-98-7, HMP ID=HMDB30917, METLIN ID=87285 ]" 185154-98-7 "(249.14851, 3570.848)(250.1511, 672.0075)" 1-Hydroxyacorenone FindByFormula HMDB30917 - 250.1552 17.299967 1-Hydroxyvitamin D3 3-D-glucopyranoside "1-Hydroxyvitamin D3 3-D-glucopyranoside [ C33 H52 O8, db=68.80, tgt=, overall=68.80, Lipid ID=LMST03020671, METLIN ID=42597 ]" "(577.3722, 3234.6519)(578.3772, 1325.83)" 1-Hydroxyvitamin D3 3-D-glucopyranoside FindByFormula + LMST03020671 576.3628 20.829397 1-Hydroxyvitamin D3 cellobioside "1-Hydroxyvitamin D3 cellobioside [ C39 H64 O12, mfg=76.08, db=75.82, tgt=, overall=75.95, Lipid ID=LMST03020670, METLIN ID=42596 ]" "(725.4458, 2194.7324)(726.4459, 1169.0875)(727.44904, 262.232)" 1-Hydroxyvitamin D3 cellobioside FindByFormula + LMST03020670 724.4402 16.18125 1-Isomangostin "1-Isomangostin [ C24 H26 O6, db=98.51, tgt=, overall=98.51, CAS ID=19275-44-6, KEGG ID=C10071, METLIN ID=68112 ]" 19275-44-6 "(411.18045, 6952.2383)(412.18335, 1765.0283)(413.18457, 387.9017)" 1-Isomangostin FindByFormula + C10071 410.1735 20.49 1-L-Leucyl-L-Proline "1-L-Leucyl-L-Proline [ C11 H20 N2 O3, db=93.85, tgt=, overall=93.85, CAS ID=, METLIN ID=4134 ]" "(229.15536, 7545.1226)(230.15932, 1091.2272)(231.16057, 271.69666)(251.13727, 1227.67)" 1-L-Leucyl-L-Proline FindByFormula + 228.1481 4.2467146 1-Methyl-4-nitro-5-(S-Gluctathionyl) Imidazole "1-Methyl-4-nitro-5-(S-Gluctathionyl) Imidazole [ C14 H20 N6 O8 S, db=84.59, tgt=, overall=84.59, CAS ID=36892-55-4, METLIN ID=1199 ]" 36892-55-4 "(433.11203, 6035.5503)(434.11575, 1309.8666)(435.1129, 871.73663)" 1-Methyl-4-nitro-5-(S-Gluctathionyl) Imidazole FindByFormula + 432.1046 7.1915 1-Methylhistamine "1-Methylhistamine [ C6 H11 N3, db=83.41, tgt=, overall=83.41, CAS ID=501-75-7, KEGG ID=C05127, HMP ID=HMDB00898, METLIN ID=5854 ]" 501-75-7 "(126.103035, 4066.0916)(127.10563, 439.11002)" 1-Methylhistamine FindByFormula HMDB00898 + C05127 125.0955 0.7406667 1-Methylxanthine "1-Methylxanthine [ C6 H6 N4 O2, db=84.40, tgt=, overall=84.40, CAS ID=6136-37-4, KEGG ID=C16358, METLIN ID=44228 ]" 6136-37-4 "(189.0389, 4563.8403)(190.04015, 416.64334)(226.99384, 550.8367)(211.0202, 3727.05)(212.0241, 322.36)" 1-Methylxanthine FindByFormula + C16358 188.0309 1.8706666 1-Naphthylamine "1-Naphthylamine [ C10 H9 N, db=78.76, tgt=, overall=78.76, CAS ID=134-32-7, KEGG ID=C14790, METLIN ID=70324 ]" 134-32-7 "(144.08087, 2918.7622)(145.08327, 488.81705)" 1-Naphthylamine FindByFormula + C14790 143.0741 4.3923 1-Naphthylamine + 4.3973 "1-Naphthylamine [ C10 H9 N, db=79.65, tgt=, overall=79.65, CAS ID=134-32-7, KEGG ID=C14790, METLIN ID=70324 ]" 134-32-7 "(144.08089, 3484.9922)(145.08289, 545.92004)" 1-Naphthylamine + 4.3973 FindByFormula + C14790 143.0737 4.3973 1-Naphthylamine + 4.4046664 "1-Naphthylamine [ C10 H9 N, db=77.37, tgt=, overall=77.37, CAS ID=134-32-7, KEGG ID=C14790, METLIN ID=70324 ]" 134-32-7 "(144.08076, 4127.345)(145.08217, 636.60834)" 1-Naphthylamine + 4.4046664 FindByFormula + C14790 143.073 4.4046664 "1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose" "1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose [ C17 H28 O8, db=50.52, tgt=, overall=50.52, Lipid ID=LMFA13010039, METLIN ID=98324 ]" "(361.18628, 4531.13)(362.1833, 1087.6525)(363.18436, 863.59503)(399.14322, 713.9733)(383.16467, 1087.33)" "1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose" FindByFormula + LMFA13010039 360.1752 0.95425 1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol "1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol [ C15 H28 N2 O11 S, db=67.75, tgt=, overall=67.75, KEGG ID=C19703, METLIN ID=73307 ]" "(467.1287, 7442.094)(468.1329, 1923.6802)(469.1314, 6265.83)(470.13745, 1271.905)(471.1461, 290.18)" 1-O-[2-(L-Cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol FindByFormula + C19703 466.1254 10.238833 1-O-Feruloylglucose "1-O-Feruloylglucose [ C16 H20 O9, mfg=93.10, db=93.08, tgt=, overall=93.09, CAS ID=7196-71-6, HMP ID=HMDB36938, METLIN ID=91926 ]" 7196-71-6 "(357.11862, 7661.195)(358.12146, 1716.3401)(359.1223, 144.25)" 1-O-Feruloylglucose FindByFormula HMDB36938 + 356.1116 7.2915 1-O-Sinapoyl-beta-D-glucose "1-O-Sinapoyl-beta-D-glucose [ C17 H22 O10, db=78.40, tgt=, overall=78.40, CAS ID=, KEGG ID=C01175, METLIN ID=64184 ]" "(387.12714, 10853.984)(388.1312, 2081.83)" 1-O-Sinapoyl-beta-D-glucose FindByFormula + C01175 386.1201 4.1724997 1-O-Sinapoyl-beta-D-glucose + 4.1724997 "1-O-Sinapoyl-beta-D-glucose [ C17 H22 O10, db=92.07, tgt=, overall=92.07, CAS ID=, KEGG ID=C01175, METLIN ID=64184 ]" "(387.1272, 11673.561)(388.13116, 2229.1401)(389.1387, 616.94)" 1-O-Sinapoyl-beta-D-glucose + 4.1724997 FindByFormula + C01175 386.1198 4.1724997 1-O-Sinapoylglucose "1-O-Sinapoylglucose [ C17 H22 O10, db=88.11, tgt=, overall=88.11, CAS ID=, HMP ID=HMDB41175, METLIN ID=95597 ]" "(387.1267, 12782.95)(388.12915, 2306.9568)(389.1346, 665.71)" 1-O-Sinapoylglucose FindByFormula HMDB41175 + 386.1193 2.0356667 1-O-Sinapoylglucose + 7.266 "1-O-Sinapoylglucose [ C17 H22 O10, db=96.73, tgt=, overall=96.73, CAS ID=, HMP ID=HMDB41175, METLIN ID=95597 ]" "(387.12845, 9045.345)(388.13144, 1936.1301)(389.1297, 372.55)" 1-O-Sinapoylglucose + 7.266 FindByFormula HMDB41175 + 386.1192 7.266 1-Stearoyl-2-Arachidonoyl-sn-Glycerol-d8 "1-Stearoyl-2-Arachidonoyl-sn-Glycerol-d8 [ C41 H64 D8 O5, db=8.15, tgt=, overall=8.15, METLIN ID=96453 ]" "(653.5963, 29212.215)(654.0968, 13393.225)(654.5969, 3052.19)(655.0981, 918.65)" 1-Stearoyl-2-Arachidonoyl-sn-Glycerol-d8 FindByFormula + 1305.1798 7.2089996 "2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol" "2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol [ C14 H23 N O10, db=80.47, tgt=, overall=80.47, CAS ID=868264-15-7, HMP ID=HMDB02278, METLIN ID=58113 ]" 868264-15-7 "(366.1393, 3574.56)(367.14423, 640.77)" "2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol" FindByFormula HMDB02278 + 365.1331 26.9705 "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol [ C8 H13 N3 O, db=85.21, tgt=, overall=85.21, CAS ID=40778-16-3, KEGG ID=C10916, METLIN ID=68685 ]" 40778-16-3 "(335.2251, 51.87)(357.20898, 212.13998)(168.1135, 6289.86)(169.11534, 715.4167)" "2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol" FindByFormula + C10916 167.1059 1.0806667 2'-(E)-Feruloyl-3-(arabinosylxylose) "2'-(E)-Feruloyl-3-(arabinosylxylose) [ C20 H26 O12, db=85.81, tgt=, overall=85.81, CAS ID=, HMP ID=HMDB30230, METLIN ID=86818 ]" "(459.14758, 32219.72)(460.15198, 6612.937)(461.15515, 2764.06)" 2'-(E)-Feruloyl-3-(arabinosylxylose) FindByFormula HMDB30230 + 458.1417 6.711 2-(N-morpholino)ethanesulfonic acid "2-(N-morpholino)ethanesulfonic acid [ C6 H13 N O4 S, db=99.70, tgt=, overall=99.70, CAS ID=4432-31-9, KEGG ID=, METLIN ID=44696 ]" 4432-31-9 "(194.0493, 12418.745)(195.0521, 916.33)(196.0464, 616.92)" 2-(N-morpholino)ethanesulfonic acid FindByFormula - 195.0561 1.4565 "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate" "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate [ C27 H26 O5, db=70.25, tgt=, overall=70.25, KEGG ID=C15027, METLIN ID=70521 ]" "(431.1871, 1134.8301)(432.18903, 259.885)" "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate" FindByFormula + C15027 430.179 16.729 "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate + 13.03052" "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate [ C27 H26 O5, db=81.36, tgt=, overall=81.36, KEGG ID=C15027, METLIN ID=70521 ]" "(453.16782, 52238.84)(454.17133, 14522.05)(455.1684, 6262.9824)(456.1696, 1539.8043)" "2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate + 13.03052" FindByFormula + C15027 452.162 13.03052 "2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one" "2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one [ C11 H15 N O, db=83.13, tgt=, overall=83.13, CAS ID=, HMP ID=HMDB39667, METLIN ID=94222 ]" "(178.12285, 3526.7002)(179.12485, 526.3)" "2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one" FindByFormula HMDB39667 + 177.1154 1.6825 "2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine" "2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine [ C12 H13 N O, db=82.03, tgt=, overall=82.03, CAS ID=, HMP ID=HMDB40012, METLIN ID=94553 ]" "(188.10739, 5880.88)(189.10971, 1008.27)" "2,3-Dihydro-5-(5-methyl-2-furanyl)-1H-pyrrolizine" FindByFormula HMDB40012 + 187.1009 6.697 "2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione" "2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione [ C24 H16 O9, db=86.88, tgt=, overall=86.88, CAS ID=60857-34-3, HMP ID=HMDB37323, METLIN ID=92264 ]" 60857-34-3 "(447.07388, 8166.601)(448.0769, 1905.1338)(449.07532, 652.5135)" "2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione" FindByFormula HMDB37323 - 448.0809 1.1293913 "2,3-Diketo-13,14-dihydro-PGF1a" "2,3-Diketo-13,14-dihydro-PGF1a [ C20 H30 O6, db=72.16, tgt=, overall=72.16, CAS ID=, METLIN ID=2559 ]" "(365.19516, 1492.79)(366.19952, 391.89)" "2,3-Diketo-13,14-dihydro-PGF1a" FindByFormula - 366.2032 10.6075 "2,3-Diketo-13,14-dihydro-PGF1a - 10.6075" "2,3-Diketo-13,14-dihydro-PGF1a [ C20 H30 O6, db=72.16, tgt=, overall=72.16, CAS ID=, METLIN ID=2559 ]" "(365.19516, 1492.79)(366.19952, 391.89)" "2,3-Diketo-13,14-dihydro-PGF1a - 10.6075" FindByFormula - 366.2033 10.6075 "2,3-Diketo-13,14-dihydro-PGF1a - 11.054" "2,3-Diketo-13,14-dihydro-PGF1a [ C20 H30 O6, db=76.96, tgt=, overall=76.96, CAS ID=, METLIN ID=2559 ]" "(365.19586, 2720.92)(366.19794, 619.53503)" "2,3-Diketo-13,14-dihydro-PGF1a - 11.054" FindByFormula - 366.2022 11.054 "2,3-Dinor-TXB1" "2,3-Dinor-TXB1 [ C18 H32 O6, db=53.13, tgt=, overall=53.13, METLIN ID=44923 ]" "(367.20898, 1728.6832)(368.21677, 597.6167)" "2,3-Dinor-TXB1" FindByFormula + 366.2025 9.322 "2,3-Dinor-TXB1 + 9.662666" "2,3-Dinor-TXB1 [ C18 H32 O6, db=75.69, tgt=, overall=75.69, METLIN ID=44923 ]" "(367.20972, 3517.8835)(368.2157, 742.6367)" "2,3-Dinor-TXB1 + 9.662666" FindByFormula + 366.2052 9.662666 "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone [ C21 H24 O5, db=99.24, tgt=, overall=99.24, Lipid ID=LMPK12120553, METLIN ID=52355 ]" "(379.15195, 21241.527)(380.15485, 5096.729)(381.15753, 888.147)" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone" FindByFormula + LMPK12120553 378.1453 13.883224 "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone - 22.029137" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone [ C21 H24 O5, db=82.46, tgt=, overall=82.46, Lipid ID=LMPK12120553, METLIN ID=52355 ]" "(355.15646, 3495.8467)(356.15872, 1061.2767)(357.1588, 289.19226)" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone - 22.029137" FindByFormula - LMPK12120553 356.1624 22.029137 "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone + 13.8808775" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone [ C21 H24 O5, db=98.50, tgt=, overall=98.50, Lipid ID=LMPK12120553, METLIN ID=52355 ]" "(379.15186, 20688.672)(380.15485, 4914.939)(381.1546, 414.73)" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone + 13.8808775" FindByFormula + LMPK12120553 378.1435 13.8808775 "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone + 14.261666" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone [ C21 H24 O5, db=73.33, tgt=, overall=73.33, Lipid ID=LMPK12120553, METLIN ID=52355 ]" "(379.15213, 1950.4834)(380.1539, 582.75336)" "2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone + 14.261666" FindByFormula + LMPK12120553 378.1428 14.261666 "2,4-Dichloro-3-oxoadipate" "2,4-Dichloro-3-oxoadipate [ C6 H6 Cl2 O5, db=62.37, tgt=, overall=62.37, KEGG ID=C18244, METLIN ID=72090 ]" "(250.9495, 1201.85)(251.95166, 322.74)(252.9482, 350.555)" "2,4-Dichloro-3-oxoadipate" FindByFormula + C18244 249.9442 27.2375 "2',4'-Dihydroxy-2,3',6'-trimethoxychalcone" "2',4'-Dihydroxy-2,3',6'-trimethoxychalcone [ C18 H18 O6, db=81.43, tgt=, overall=81.43, Lipid ID=LMPK12120330, METLIN ID=52133 ]" "(329.10275, 2764.8398)(330.10608, 643.75665)" "2',4'-Dihydroxy-2,3',6'-trimethoxychalcone" FindByFormula - LMPK12120330 330.1125 8.902 "2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone" "2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone [ C18 H18 O4, db=85.26, tgt=, overall=85.26, Lipid ID=LMPK12120225, METLIN ID=52029 ]" "(297.1134, 2068.076)(298.1168, 371.336)" "2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone" FindByFormula - LMPK12120225 298.1212 10.3062 "2,4-Dihydroxyacetophenone 5-sulfate" "2,4-Dihydroxyacetophenone 5-sulfate [ C8 H8 O6 S, db=96.61, tgt=, overall=96.61, CAS ID=, HMP ID=HMDB41646, METLIN ID=96009 ]" "(230.99634, 5087.767)(232.00061, 482.72665)(232.99585, 267.33002)" "2,4-Dihydroxyacetophenone 5-sulfate" FindByFormula HMDB41646 - 232.0033 8.165 "2',4'-Dihydroxydihydrochalcone" "2',4'-Dihydroxydihydrochalcone [ C15 H14 O3, db=82.08, tgt=, overall=82.08, Lipid ID=LMPK12120442, METLIN ID=52245 ]" "(241.08621, 12671.375)(242.08905, 2298.995)" "2',4'-Dihydroxydihydrochalcone" FindByFormula - LMPK12120442 242.0938 11.6744995 "2,4-Undecadienal" "2,4-Undecadienal [ C11 H18 O, db=61.72, tgt=, overall=61.72, CAS ID=13162-46-4, HMP ID=HMDB31359, METLIN ID=87612 ]" 13162-46-4 "(189.12439, 2580.4976)(190.1256, 314.82748)(191.1108, 150.05)(227.0784, 189.17)(211.10431, 616.025)" "2,4-Undecadienal" FindByFormula HMDB31359 + 188.1167 1.4502499 "2,4-Undecadienal + 1.0341818" "2,4-Undecadienal [ C11 H18 O, mfg=76.90, db=89.49, tgt=, overall=44.75, CAS ID=13162-46-4, HMP ID=HMDB31359, METLIN ID=87612 ]" 13162-46-4 "(189.1252, 6312.0415)(190.12875, 796.8415)(191.1195, 223.94)(227.07986, 581.8375)(211.10637, 1905.0221)(212.10443, 340.37167)" "2,4-Undecadienal + 1.0341818" FindByFormula HMDB31359 + 188.1174 1.0341818 "2,4-Undecadienal + 1.0405" "2,4-Undecadienal [ C11 H18 O, db=76.48, tgt=, overall=76.48, CAS ID=13162-46-4, HMP ID=HMDB31359, METLIN ID=87612 ]" 13162-46-4 "(189.125, 13928.649)(190.12335, 1486.875)(227.0808, 1602.39)(211.10565, 3544.945)(212.10115, 646.625)" "2,4-Undecadienal + 1.0405" FindByFormula HMDB31359 + 188.1165 1.0405 "2,4-Undecadienal + 1.0405 :1" "2,4-Undecadienal [ C11 H18 O, db=85.98, tgt=, overall=85.98, CAS ID=13162-46-4, HMP ID=HMDB31359, METLIN ID=87612 ]" 13162-46-4 "(189.12479, 14986.14)(190.1229, 1887.4349)(191.1278, 291.54)(227.0808, 1602.39)(211.10544, 4266.29)(212.099, 740.77)" "2,4-Undecadienal + 1.0405 :1" FindByFormula HMDB31359 + 188.1166 1.0405 "2,5-Dichloro-4-oxohex-2-enedioate" "2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, db=66.56, tgt=, overall=66.56, KEGG ID=C12835, METLIN ID=69492 ]" "(226.95163, 19825.941)(227.95485, 750.006)(228.95589, 383.9208)" "2,5-Dichloro-4-oxohex-2-enedioate" FindByFormula + C12835 225.9446 26.5302 "2,5-Dichloro-4-oxohex-2-enedioate + 0.5059" "2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, db=54.21, tgt=, overall=54.21, KEGG ID=C12835, METLIN ID=69492 ]" "(226.95181, 1952.0408)(227.95242, 83.370995)" "2,5-Dichloro-4-oxohex-2-enedioate + 0.5059" FindByFormula + C12835 225.9444 0.5059 "2,5-Dichloro-4-oxohex-2-enedioate + 0.75625" "2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, db=55.66, tgt=, overall=55.66, KEGG ID=C12835, METLIN ID=69492 ]" "(226.9518, 17824.904)(227.95377, 580.52313)" "2,5-Dichloro-4-oxohex-2-enedioate + 0.75625" FindByFormula + C12835 225.9446 0.75625 "2,5-Dichloro-4-oxohex-2-enedioate + 1.8225" "2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, db=56.65, tgt=, overall=56.65, KEGG ID=C12835, METLIN ID=69492 ]" "(226.95166, 2163.9)(227.95445, 154.41501)" "2,5-Dichloro-4-oxohex-2-enedioate + 1.8225" FindByFormula + C12835 225.9435 1.8225 "2,5-Dichloro-4-oxohex-2-enedioate + 25.301332" "2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, db=69.63, tgt=, overall=69.63, KEGG ID=C12835, METLIN ID=69492 ]" "(226.95125, 1432.3966)(227.95526, 116.32)(228.95, 56.29)" "2,5-Dichloro-4-oxohex-2-enedioate + 25.301332" FindByFormula + C12835 225.944 25.301332 "2,5-Dichloro-4-oxohex-2-enedioate + 26.520832" "2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, db=67.09, tgt=, overall=67.09, KEGG ID=C12835, METLIN ID=69492 ]" "(226.95152, 19119.012)(227.95503, 730.7406)(228.9557, 393.3575)" "2,5-Dichloro-4-oxohex-2-enedioate + 26.520832" FindByFormula + C12835 225.9445 26.520832 "2,5-Dichloro-4-oxohex-2-enedioate + 26.559557" "2,5-Dichloro-4-oxohex-2-enedioate [ C6 H4 Cl2 O5, db=66.24, tgt=, overall=66.24, KEGG ID=C12835, METLIN ID=69492 ]" "(226.95168, 21110.934)(227.95511, 808.57434)(228.95604, 389.76483)" "2,5-Dichloro-4-oxohex-2-enedioate + 26.559557" FindByFormula + C12835 225.9451 26.559557 "2,5-Dihydro-2,4,5-trimethyloxazole" "2,5-Dihydro-2,4,5-trimethyloxazole [ C6 H11 N O, db=85.11, tgt=, overall=85.11, CAS ID=22694-96-8, HMP ID=HMDB31199, METLIN ID=87488 ]" 22694-96-8 "(114.09137, 6086.836)(115.09299, 452.2094)(136.07262, 2771.2966)(137.06937, 220.53401)" "2,5-Dihydro-2,4,5-trimethyloxazole" FindByFormula HMDB31199 + 113.0839 4.6384706 "2,6-Dimethyl-2,4-heptadiene" "2,6-Dimethyl-2,4-heptadiene [ C9 H16, db=60.38, tgt=, overall=60.38, CAS ID=4634-87-1, HMP ID=HMDB31415, METLIN ID=87666 ]" 4634-87-1 "(147.11502, 1840.3301)(148.11816, 468.64)" "2,6-Dimethyl-2,4-heptadiene" FindByFormula HMDB31415 + 146.1077 0.95650005 2000.5864@7.2945004 "(1001.3014, 3388.61)(1001.796, 556.135)(1002.30286, 2017.105)" 2000.5864@7.2945004 FindByFormula + 2000.5864 7.2945004 2005.196@9.252334 "(1004.0811, 460.4)(1004.5898, 567.81)(1022.5869, 3574.6865)(1023.08624, 3958.2266)(1023.5881, 2361.85)(1024.0897, 1331.1766)" 2005.196@9.252334 FindByFormula + 2005.196 9.252334 201.9637@27.0832 "(202.971, 1662.4541)(203.9696, 386.944)" 201.9637@27.0832 FindByFormula + 201.9637 27.0832 2012.649@9.6925 "(1007.33105, 10080.09)(1007.82837, 7663.175)(1008.33026, 2727.87)(1008.823, 1281.14)" 2012.649@9.6925 FindByFormula + 2012.649 9.6925 2019.294@14.818251 "(1010.647, 3576.645)(1011.1498, 4502.6724)(1011.65, 2886.3674)(1012.15155, 1614.7576)(1012.64417, 770.505)(1021.6306, 770.96)(1022.1305, 375.4)" 2019.294@14.818251 FindByFormula + 2019.294 14.818251 202.055@27.231998 "(102.03497, 2375.125)(102.53684, 422.59503)" 202.055@27.231998 FindByFormula + 202.055 27.231998 202.1398@0.9245 "(203.1483, 13205.715)(204.15219, 2192.155)(225.1263, 400.85)" 202.1398@0.9245 FindByFormula + 202.1398 0.9245 2035.1602@9.7005005 "(1018.5868, 16805.1)(1019.08777, 8478.91)(1019.5904, 2063.4)(1020.0934, 903.57)" 2035.1602@9.7005005 FindByFormula + 2035.1602 9.7005005 2035.6581@9.718666 "(1018.8367, 9287.663)(1019.3408, 2946.5999)(1019.8445, 904.51324)" 2035.6581@9.718666 FindByFormula + 2035.6581 9.718666 204.1643@4.417364 "(205.17125, 4527.6875)(206.17352, 550.00275)" 204.1643@4.417364 FindByFormula + 204.1643 4.417364 205.0737@8.48475 "(204.0671, 2157.7773)(205.07011, 255.81375)" 205.0737@8.48475 FindByFormula - 205.0737 8.48475 2056.679@9.7630005 "(1029.3442, 8926.936)(1029.8398, 7919.44)(1030.3452, 2728.395)(1030.8594, 1089.755)" 2056.679@9.7630005 FindByFormula + 2056.679 9.7630005 206.0925@0.997 "(207.09995, 2445.96)(208.10379, 376.33)" 206.0925@0.997 FindByFormula + 206.0925 0.997 206.1417@4.9545 "(207.14935, 2587.0)(208.15164, 742.325)" 206.1417@4.9545 FindByFormula + 206.1417 4.9545 208.0859@1.9633332 "(417.1781, 103.335)(439.16516, 342.71002)(247.04803, 929.42)(231.07478, 6599.1235)(232.07947, 783.2233)(233.0803, 204.25334)" 208.0859@1.9633332 FindByFormula + 208.0859 1.9633332 2087.0842@8.2655 "(1067.0325, 62442.92)(1067.5336, 69152.53)(1068.0342, 45492.2)(1068.5363, 23422.14)(1055.7812, 532.77)(1056.0299, 473.14)" 2087.0842@8.2655 FindByFormula + 2087.0842 8.2655 2087.1875@9.2615 "(1044.5967, 4793.995)(1045.1028, 4945.2197)(1045.5995, 3033.975)(1046.0966, 1732.28)(1046.5928, 498.375)" 2087.1875@9.2615 FindByFormula + 2087.1875 9.2615 2087.6042@6.961 "(1044.8088, 4968.58)(1045.3098, 4802.4453)(1045.812, 1562.915)(1046.3066, 604.91504)" 2087.6042@6.961 FindByFormula + 2087.6042 6.961 209.9807@1.4649999 "(210.9891, 1728.1699)(211.992, 392.42)" 209.9807@1.4649999 FindByFormula + 209.9807 1.4649999 20a-Hydroxydydrogesterone glucuronide "20a-Hydroxydydrogesterone glucuronide [ C27 H38 O8, db=99.80, tgt=, overall=99.80, CAS ID=85126-19-8, METLIN ID=2514 ]" 85126-19-8 "(491.26392, 98061.984)(492.2674, 29005.254)(493.27103, 5588.5024)(494.2755, 450.45)" 20a-Hydroxydydrogesterone glucuronide FindByFormula + 490.2577 8.983251 20-Hydroxy-PGF2a "20-Hydroxy-PGF2a [ C20 H34 O6, db=95.21, tgt=, overall=95.21, CAS ID=57930-92-4, Lipid ID=LMFA03010029, HMP ID=HMDB04049, METLIN ID=3821 ]" 57930-92-4 "(369.22806, 6607.9243)(370.23148, 1516.2863)(371.2408, 318.03302)" 20-Hydroxy-PGF2a FindByFormula HMDB04049 - LMFA03010029 370.2362 9.934539 20-Hydroxy-PGF2a - 9.406307 "20-Hydroxy-PGF2a [ C20 H34 O6, db=99.13, tgt=, overall=99.13, CAS ID=57930-92-4, Lipid ID=LMFA03010029, HMP ID=HMDB04049, METLIN ID=3821 ]" 57930-92-4 "(369.2283, 18237.908)(370.23132, 4142.5737)(371.23706, 679.19086)" 20-Hydroxy-PGF2a - 9.406307 FindByFormula HMDB04049 - LMFA03010029 370.2352 9.406307 20-Hydroxy-PGF2a - 9.4185 "20-Hydroxy-PGF2a [ C20 H34 O6, db=98.77, tgt=, overall=98.77, CAS ID=57930-92-4, Lipid ID=LMFA03010029, HMP ID=HMDB04049, METLIN ID=3821 ]" 57930-92-4 "(369.22806, 18216.98)(370.2309, 4296.605)(371.23322, 678.12)" 20-Hydroxy-PGF2a - 9.4185 FindByFormula HMDB04049 - LMFA03010029 370.2363 9.4185 20-Hydroxy-PGF2a - 9.945 "20-Hydroxy-PGF2a [ C20 H34 O6, db=97.75, tgt=, overall=97.75, CAS ID=57930-92-4, Lipid ID=LMFA03010029, HMP ID=HMDB04049, METLIN ID=3821 ]" 57930-92-4 "(369.22766, 17486.145)(370.23083, 3775.38)(371.23904, 408.505)" 20-Hydroxy-PGF2a - 9.945 FindByFormula HMDB04049 - LMFA03010029 370.2332 9.945 20-Hydroxy-PGF2a - 9.9552 "20-Hydroxy-PGF2a [ C20 H34 O6, db=94.01, tgt=, overall=94.01, CAS ID=57930-92-4, Lipid ID=LMFA03010029, HMP ID=HMDB04049, METLIN ID=3821 ]" 57930-92-4 "(369.22748, 10531.369)(370.23102, 2404.9219)(371.2426, 432.52)" 20-Hydroxy-PGF2a - 9.9552 FindByFormula HMDB04049 - LMFA03010029 370.2397 9.9552 20-trifluoro-LTB4 "20-trifluoro-LTB4 [ C20 H29 F3 O4, db=97.43, tgt=, overall=97.43, CAS ID=115178-97-7, Lipid ID=LMFA03020019, METLIN ID=36250 ]" 115178-97-7 "(391.2096, 4605.213)(392.2132, 1050.1354)(393.2187, 54.78)" 20-trifluoro-LTB4 FindByFormula + LMFA03020019 390.2027 9.639231 20-trifluoro-LTB4 + 10.5802 "20-trifluoro-LTB4 [ C20 H29 F3 O4, db=52.81, tgt=, overall=52.81, CAS ID=115178-97-7, Lipid ID=LMFA03020019, METLIN ID=36250 ]" 115178-97-7 "(391.2079, 4998.0103)(392.21143, 1282.588)(393.2209, 3574.07)(394.224, 350.8)(395.2389, 330.55)" 20-trifluoro-LTB4 + 10.5802 FindByFormula + LMFA03020019 390.1995 10.5802 20-trifluoro-LTB4 + 9.602499 "20-trifluoro-LTB4 [ C20 H29 F3 O4, db=83.71, tgt=, overall=83.71, CAS ID=115178-97-7, Lipid ID=LMFA03020019, METLIN ID=36250 ]" 115178-97-7 "(391.20972, 9200.809)(392.21283, 2073.2)" 20-trifluoro-LTB4 + 9.602499 FindByFormula + LMFA03020019 390.2041 9.602499 20-trifluoro-LTB4 + 9.631728 "20-trifluoro-LTB4 [ C20 H29 F3 O4, mfg=84.52, db=84.77, tgt=, overall=42.38, CAS ID=115178-97-7, Lipid ID=LMFA03020019, METLIN ID=36250 ]" 115178-97-7 "(391.20898, 5244.921)(392.2122, 1171.1401)(413.1885, 800.7)" 20-trifluoro-LTB4 + 9.631728 FindByFormula + LMFA03020019 390.2019 9.631728 20-trifluoro-LTB4 + 9.904693 "20-trifluoro-LTB4 [ C20 H29 F3 O4, db=81.07, tgt=, overall=81.07, CAS ID=115178-97-7, Lipid ID=LMFA03020019, METLIN ID=36250 ]" 115178-97-7 "(391.2101, 4499.558)(392.21338, 1077.1261)(413.1988, 877.28)" 20-trifluoro-LTB4 + 9.904693 FindByFormula + LMFA03020019 390.2031 9.904693 210.0488@9.741 "(211.056, 4680.615)(212.06021, 487.015)" 210.0488@9.741 FindByFormula + 210.0488 9.741 2101.2014@9.7715 "(1051.6067, 10022.439)(1052.1068, 5826.99)(1052.6174, 1411.36)(1053.1211, 687.69)" 2101.2014@9.7715 FindByFormula + 2101.2014 9.7715 2123.212@9.7715 "(1062.6149, 12695.98)(1063.1147, 7076.215)(1063.6078, 2537.585)(1064.1309, 915.675)" 2123.212@9.7715 FindByFormula + 2123.212 9.7715 213.9099@27.810999 "(214.91743, 26013.295)(215.92084, 955.52496)(216.9137, 387.688)" 213.9099@27.810999 FindByFormula + 213.9099 27.810999 213.91@27.82125 "(214.9175, 20868.566)(215.9214, 766.33496)(216.91519, 468.165)" 213.91@27.82125 FindByFormula + 213.91 27.82125 213.9103@27.282997 "(450.8133, 418.17)(214.91797, 101407.625)(215.92122, 3790.9983)(216.91661, 2010.5422)(217.91335, 447.66556)" 213.9103@27.282997 FindByFormula + 213.9103 27.282997 213.9104@27.2934 "(214.9179, 92479.8)(215.92119, 3444.1238)(216.91638, 1867.9946)(217.91202, 378.7791)" 213.9104@27.2934 FindByFormula + 213.9104 27.2934 213.9104@28.609499 "(450.8144, 268.23)(214.91806, 4882.26)(215.92203, 119.41499)(216.9159, 443.14)" 213.9104@28.609499 FindByFormula + 213.9104 28.609499 213.9108@28.5045 "(214.9182, 3613.375)(215.92169, 279.615)(216.91614, 378.33002)" 213.9108@28.5045 FindByFormula + 213.9108 28.5045 213.9111@0.54 "(214.91806, 5192.1016)(215.92068, 193.80858)" 213.9111@0.54 FindByFormula + 213.9111 0.54 2131.206@9.281667 "(1066.6104, 5145.607)(1067.1151, 4823.217)(1067.6168, 3590.923)(1068.111, 1436.83)(1068.617, 859.78)" 2131.206@9.281667 FindByFormula + 2131.206 9.281667 2131.9817@10.015667 "(1067.0013, 12513.32)(1067.4984, 9672.163)(1068.004, 6665.1206)(1068.5045, 2488.6099)(1068.9994, 1549.225)" 2131.9817@10.015667 FindByFormula + 2131.9817 10.015667 214.1567@12.2815 "(213.14966, 1574.6799)(214.1525, 207.93999)" 214.1567@12.2815 FindByFormula - 214.1567 12.2815 2145.232@9.7715 "(1073.6177, 12634.734)(1074.1198, 7980.555)(1074.6282, 2141.47)(1075.144, 695.66504)" 2145.232@9.7715 FindByFormula + 2145.232 9.7715 215.9431@27.546501 "(216.94936, 2149.345)(217.95195, 375.05)(218.94675, 505.745)" 215.9431@27.546501 FindByFormula + 215.9431 27.546501 215.9433@27.3573 "(216.94983, 12715.834)(217.95146, 2172.461)(218.94641, 2366.606)(238.9273, 95.8)" 215.9433@27.3573 FindByFormula + 215.9433 27.3573 2166.741@9.735001 "(1084.3785, 9815.846)(1084.8805, 9433.115)(1085.3875, 3979.78)(1085.8794, 2269.87)(1086.3792, 639.92)" 2166.741@9.735001 FindByFormula + 2166.741 9.735001 2167.2334@9.742001 "(1084.626, 17032.24)(1085.1257, 9703.805)(1085.626, 2974.38)(1086.1372, 1572.81)" 2167.2334@9.742001 FindByFormula + 2167.2334 9.742001 217.203@1.3842939 "(218.21477, 9364.327)(219.21567, 727.04767)(240.19664, 359.36002)" 217.203@1.3842939 FindByFormula + 217.203 1.3842939 217.9027@27.24643 "(218.91077, 4003.6316)(219.90933, 224.74716)" 217.9027@27.24643 FindByFormula + 217.9027 27.24643 217.9037@27.88375 "(218.91086, 943.9675)(219.91342, 95.155)" 217.9037@27.88375 FindByFormula + 217.9037 27.88375 217.9037@28.011398 "(218.91061, 980.4279)(219.90884, 97.628006)" 217.9037@28.011398 FindByFormula + 217.9037 28.011398 217.9039@27.3755 "(218.91086, 4191.5127)(219.91042, 259.4375)" 217.9039@27.3755 FindByFormula + 217.9039 27.3755 217.9054@27.919 "(218.91087, 1012.25336)(219.91353, 103.996666)" 217.9054@27.919 FindByFormula + 217.9054 27.919 217.9056@27.173111 "(218.91116, 4587.2573)(219.91103, 292.79446)" 217.9056@27.173111 FindByFormula + 217.9056 27.173111 2174.7354@9.742001 "(1088.3717, 3609.2651)(1088.8741, 3832.665)(1089.3707, 2210.96)(1089.864, 1234.84)" 2174.7354@9.742001 FindByFormula + 2174.7354 9.742001 2175.2378@9.2865 "(1088.6272, 6496.995)(1089.1266, 7594.995)(1089.624, 4147.445)(1090.1301, 2912.01)(1090.6342, 1892.84)(1091.1211, 902.3)" 2175.2378@9.2865 FindByFormula + 2175.2378 9.2865 2188.2493@9.7885 "(1095.3833, 6703.215)(1095.8816, 10022.471)(1096.3845, 4944.4053)(1096.877, 1565.485)(1097.1267, 1109.33)" 2188.2493@9.7885 FindByFormula + 2188.2493 9.7885 2189.2456@9.7505 "(1095.6329, 15870.115)(1096.1353, 9061.925)(1096.625, 2761.4849)(1097.1267, 1109.33)(1097.6105, 772.29)" 2189.2456@9.7505 FindByFormula + 2189.2456 9.7505 2189.759@9.742001 "(1095.8855, 12838.141)(1096.3835, 5559.125)(1096.8906, 2440.13)(1097.3965, 1384.7749)" 2189.759@9.742001 FindByFormula + 2189.759 9.742001 2199.2258@6.834399 "(1098.6067, 778.816)(1099.1084, 830.258)(1099.6077, 593.908)" 2199.2258@6.834399 FindByFormula - 2199.2258 6.834399 "22,24,25-trihydroxyvitamin D3" "22,24,25-trihydroxyvitamin D3 [ C27 H44 O4, db=68.89, tgt=, overall=68.89, Lipid ID=LMST03020297, METLIN ID=42232 ]" "(433.33115, 1074.9867)(434.33328, 420.83)" "22,24,25-trihydroxyvitamin D3" FindByFormula + LMST03020297 432.3223 26.238668 "22,24,25-trihydroxyvitamin D3 + 26.352001" "22,24,25-trihydroxyvitamin D3 [ C27 H44 O4, db=64.03, tgt=, overall=64.03, Lipid ID=LMST03020297, METLIN ID=42232 ]" "(433.3315, 1280.425)(434.3327, 529.855)" "22,24,25-trihydroxyvitamin D3 + 26.352001" FindByFormula + LMST03020297 432.3234 26.352001 220.0843@1.47925 "(221.09271, 5101.735)(222.09392, 981.97003)" 220.0843@1.47925 FindByFormula + 220.0843 1.47925 2208.059@9.7435 "(1105.0361, 20411.664)(1105.5298, 24776.664)(1106.0331, 8483.59)(1106.5219, 3209.92)" 2208.059@9.7435 FindByFormula + 2208.059 9.7435 2208.553@9.747666 "(1105.2847, 32629.344)(1105.7806, 15257.78)(1106.2765, 3442.9033)(1106.772, 2459.54)(1125.0001, 6750.0947)(1125.5085, 5893.055)(1125.76, 3605.05)" 2208.553@9.747666 FindByFormula + 2208.553 9.747666 2208.7944@9.7975 "(1103.392, 1903.045)(1103.8835, 555.375)" 2208.7944@9.7975 FindByFormula - 2208.7944 9.7975 2210.7644@9.758333 "(1106.3906, 11766.863)(1106.891, 11637.003)(1107.3942, 4578.94)(1107.8901, 1309.155)" 2210.7644@9.758333 FindByFormula + 2210.7644 9.758333 2211.2705@9.779334 "(1106.6394, 12201.743)(1107.1403, 7282.043)(1107.6412, 2569.5667)(1108.154, 947.295)(1108.6504, 105.6)" 2211.2705@9.779334 FindByFormula + 2211.2705 9.779334 2211.7634@9.7885 "(1106.8882, 10017.695)(1107.3899, 4106.19)(1107.8892, 1104.3201)(1108.3801, 481.9)" 2211.7634@9.7885 FindByFormula + 2211.7634 9.7885 2213.5513@9.7415 "(1107.7799, 26738.39)(1108.278, 40670.24)(1108.7739, 11216.2)(1109.2719, 3905.46)" 2213.5513@9.7415 FindByFormula + 2213.5513 9.7415 222.018@0.77085716 "(223.02505, 5834.946)(224.0264, 751.1686)(225.0234, 930.66144)" 222.018@0.77085716 FindByFormula + 222.018 0.77085716 222.9809@27.2022 "(223.98813, 1961.834)(224.98923, 605.96796)(225.98605, 666.012)" 222.9809@27.2022 FindByFormula + 222.9809 27.2022 222.9814@26.7965 "(223.98895, 3437.9048)(224.98895, 1061.165)(225.98645, 1425.96)" 222.9814@26.7965 FindByFormula + 222.9814 26.7965 222.982@26.7965 "(223.98895, 3437.9048)(224.98895, 1061.165)(225.98645, 1425.96)" 222.982@26.7965 FindByFormula + 222.982 26.7965 222.9822@27.15 "(223.98926, 2690.8066)(224.9893, 857.49335)(225.98695, 1016.19336)" 222.9822@27.15 FindByFormula + 222.9822 27.15 2221.2083@6.8415 "(1111.6123, 2248.31)(1112.1129, 3148.735)(1112.6062, 2043.415)(1133.8455, 1326.97)(1134.0955, 1927.89)" 2221.2083@6.8415 FindByFormula + 2221.2083 6.8415 2223.5222@9.727 "(1112.7683, 22726.775)(1113.2676, 17349.34)(1113.7721, 10039.375)(1114.2744, 3630.6301)" 2223.5222@9.727 FindByFormula + 2223.5222 9.727 224.1139@3.122 "(225.12189, 1004.975)(226.12204, 154.455)" 224.1139@3.122 FindByFormula + 224.1139 3.122 225.0559@1.98 "(226.06262, 2942.9075)(227.06981, 505.21246)(248.0446, 550.85)" 225.0559@1.98 FindByFormula + 225.0559 1.98 2255.2861@9.797501 "(1128.655, 11365.859)(1129.157, 7023.8945)(1129.6554, 2274.06)(1130.1725, 958.475)" 2255.2861@9.797501 FindByFormula + 2255.2861 9.797501 2263.281@9.355499 "(1132.6475, 4380.71)(1133.1545, 5064.495)(1133.6476, 3486.725)(1134.1523, 1504.045)(1134.6381, 665.04)(1135.1112, 234.39)" 2263.281@9.355499 FindByFormula + 2263.281 9.355499 228.2253@1.1915001 "(229.23227, 3961.9524)(230.2364, 687.36255)" 228.2253@1.1915001 FindByFormula + 228.2253 1.1915001 229.24@10.927427 "(230.24817, 5764.7144)(231.251, 946.68524)" 229.24@10.927427 FindByFormula + 229.24 10.927427 2291.0906@7.4175 "(1146.5535, 2523.615)(1147.0483, 3631.0898)(1147.5554, 2396.545)(1148.0608, 1196.2)(1148.5638, 327.08)" 2291.0906@7.4175 FindByFormula + 2291.0906 7.4175 2299.3196@9.797 "(1150.6677, 10637.647)(1151.1681, 7197.8164)(1151.663, 2487.8767)(1152.1658, 1130.455)" 2299.3196@9.797 FindByFormula + 2299.3196 9.797 2299.8345@9.8055 "(1150.9182, 9706.141)(1151.4255, 4446.9297)(1151.9187, 1563.2949)(1152.4053, 468.325)" 2299.8345@9.8055 FindByFormula + 2299.8345 9.8055 2307.3157@9.3495 "(1154.6672, 5233.3047)(1155.1658, 6459.295)(1155.6687, 4395.555)(1156.1661, 1773.24)(1156.6758, 834.0)" 2307.3157@9.3495 FindByFormula + 2307.3157 9.3495 231.9205@27.342577 "(232.9282, 8916.095)(233.92943, 408.29538)(234.92625, 372.92227)" 231.9205@27.342577 FindByFormula + 231.9205 27.342577 231.9209@26.969002 "(232.92775, 3727.2202)(233.92654, 206.295)(234.9354, 474.81)" 231.9209@26.969002 FindByFormula + 231.9209 26.969002 231.9209@27.337038 "(232.9282, 8895.96)(233.92961, 397.53918)(234.9268, 357.2919)" 231.9209@27.337038 FindByFormula + 231.9209 27.337038 232.0538@1.3505001 "(233.0614, 2737.175)(234.06116, 493.62)(255.0439, 835.75)" 232.0538@1.3505001 FindByFormula + 232.0538 1.3505001 232.1436@1.1335 "(231.13626, 4125.8047)(232.13875, 485.03998)" 232.1436@1.1335 FindByFormula - 232.1436 1.1335 2321.3464@9.814 "(1161.6721, 10540.5205)(1162.1775, 6513.995)(1162.6719, 2200.82)(1163.1871, 856.935)(1163.7043, 200.9)" 2321.3464@9.814 FindByFormula + 2321.3464 9.814 2341.1729@8.1695 "(1169.5801, 730.02997)(1170.0798, 932.545)(1170.5815, 613.745)" 2341.1729@8.1695 FindByFormula - 2341.1729 8.1695 2343.3652@9.7865 "(1172.6799, 10537.59)(1173.1799, 6967.8604)(1173.6792, 2576.385)(1174.1807, 1112.46)" 2343.3652@9.7865 FindByFormula + 2343.3652 9.7865 2343.8438@9.7925 "(1172.9304, 6938.7046)(1173.4319, 3285.645)(1173.949, 1864.585)" 2343.8438@9.7925 FindByFormula + 2343.8438 9.7925 2351.342@9.342667 "(1176.674, 5301.35)(1177.1837, 6369.893)(1177.6797, 4265.5503)(1178.1749, 2298.75)(1178.687, 677.19)(1179.1936, 297.33334)" 2351.342@9.342667 FindByFormula + 2351.342 9.342667 236.1159@2.4245 "(237.12405, 4696.89)(238.1248, 744.265)(239.1305, 233.175)(259.1032, 1057.475)" 236.1159@2.4245 FindByFormula + 236.1159 2.4245 2364.864@9.801999 "(1183.4326, 8673.507)(1183.9395, 8671.167)(1184.4315, 4500.5234)(1184.9391, 1144.46)" 2364.864@9.801999 FindByFormula + 2364.864 9.801999 2365.8728@9.8325 "(1183.9393, 6697.5703)(1184.4314, 3066.3398)(1184.9453, 812.6)(1185.4509, 542.715)" 2365.8728@9.8325 FindByFormula + 2365.8728 9.8325 2366.7334@7.326 "(1184.3738, 2101.75)(1184.874, 4992.185)(1185.3701, 3959.24)(1185.8818, 923.26)(1186.3901, 419.95)" 2366.7334@7.326 FindByFormula + 2366.7334 7.326 2367.2@7.483 "(1182.5981, 780.26495)(1183.0988, 923.365)(1183.6019, 685.97)(1184.0992, 360.67664)" 2367.2@7.483 FindByFormula - 2367.2 7.483 237.0302@1.32425 "(238.03725, 3422.3787)(239.04173, 356.78378)" 237.0302@1.32425 FindByFormula + 237.0302 1.32425 237.0994@8.393126 "(236.09418, 9592.586)(237.09724, 1234.4037)(238.0995, 170.575)" 237.0994@8.393126 FindByFormula - 237.0994 8.393126 2382.1206@9.4185 "(1192.0725, 8725.891)(1192.5754, 12188.075)(1193.0695, 9217.96)(1193.5721, 5392.205)(1194.0796, 2902.9248)(1194.5574, 765.5)(1211.045, 1635.51)(1211.5516, 2263.565)(1212.0614, 1354.53)(1203.0635, 2989.0151)(1203.5623, 3671.92)(1204.06, 3140.88)(1204.5571, 1396.28)(1205.0526, 851.96)(1222.2869, 1572.585)(1222.7844, 1879.8099)(1223.0344, 2127.18)" 2382.1206@9.4185 FindByFormula + 2382.1206 9.4185 2385.1514@8.174 "(1193.7499, 5290.97)(1194.2427, 4822.1636)(1194.7544, 2712.32)(1195.3418, 1433.985)(1195.5718, 854.85)(1212.5725, 920.62)(1213.059, 1372.61)(1213.5409, 684.48)(1204.5743, 10716.058)(1205.0717, 12176.673)(1205.5773, 8406.36)(1206.0789, 4314.5703)(1206.5802, 1396.76)(1207.0819, 1232.77)(1207.574, 672.31)" 2385.1514@8.174 FindByFormula + 2385.1514 8.174 2387.873@9.8325 "(1194.9467, 11208.92)(1195.4456, 5116.01)(1195.957, 1882.105)(1196.449, 1349.84)" 2387.873@9.8325 FindByFormula + 2387.873 9.8325 239.1081@1.368 "(240.11969, 3350.6401)(241.11624, 864.06)" 239.1081@1.368 FindByFormula + 239.1081 1.368 2393.7986@8.884 "(1195.8855, 1648.855)(1196.3889, 2291.285)(1196.8928, 1198.125)(1197.39, 411.36)" 2393.7986@8.884 FindByFormula - 2393.7986 8.884 2394.2993@8.884 "(1196.1373, 3064.225)(1196.6399, 2844.055)(1197.1393, 1251.425)" 2394.2993@8.884 FindByFormula - 2394.2993 8.884 2395.3696@9.389999 "(1198.689, 5088.3267)(1199.1907, 5923.4766)(1199.6932, 4242.4766)(1200.1962, 2161.1868)(1200.6902, 735.44)(1201.1998, 326.77)" 2395.3696@9.389999 FindByFormula + 2395.3696 9.389999 2399.5918@9.813499 "(1200.8047, 4639.8447)(1201.2979, 3255.8901)(1201.8114, 1502.0)" 2399.5918@9.813499 FindByFormula + 2399.5918 9.813499 23-Acetoxysoladulcidine "23-Acetoxysoladulcidine [ C29 H47 N O4, db=98.77, tgt=, overall=98.77, CAS ID=152128-85-3, HMP ID=HMDB31402, METLIN ID=87655 ]" 152128-85-3 "(496.33957, 3792.1887)(497.34244, 1135.5167)(498.34637, 212.90999)(518.32007, 882.67)(519.3207, 499.765)" 23-Acetoxysoladulcidine FindByFormula HMDB31402 + 495.3335 29.406887 "24,24-difluoro-1alpha,25-dihydroxy-24a-homovitamin D3" "24,24-difluoro-1alpha,25-dihydroxy-24a-homovitamin D3 [ C28 H44 F2 O3, db=79.25, tgt=, overall=79.25, Lipid ID=LMST03020316, METLIN ID=42251 ]" "(465.31787, 1783.115)(466.32196, 573.54004)" "24,24-difluoro-1alpha,25-dihydroxy-24a-homovitamin D3" FindByFormula - LMST03020316 466.3256 12.066 240.1718@9.717125 "(241.17749, 4524.7236)(242.17876, 692.65875)" 240.1718@9.717125 FindByFormula + 240.1718 9.717125 2404.0933@9.4445 "(1201.037, 997.03503)(1201.5377, 1499.0701)(1202.0378, 1070.8)(1202.541, 554.765)" 2404.0933@9.4445 FindByFormula - 2404.0933 9.4445 2407.136@8.157 "(1204.5829, 10746.714)(1205.077, 12662.501)(1205.5806, 8890.806)(1206.0847, 4158.015)(1206.5742, 2752.3533)(1207.072, 915.30664)" 2407.136@8.157 FindByFormula + 2407.136 8.157 2408.2769@7.1470003 "(1205.1389, 2544.545)(1205.6295, 2109.71)(1206.1453, 2364.375)(1216.1477, 2300.195)(1216.6278, 3335.77)(1217.1263, 1698.73)" 2408.2769@7.1470003 FindByFormula + 2408.2769 7.1470003 2409.3867@9.83 "(1205.6951, 7620.74)(1206.1991, 4733.62)(1206.7024, 2081.78)" 2409.3867@9.83 FindByFormula + 2409.3867 9.83 2411.2148@7.4760003 "(1206.5995, 6935.99)(1207.0981, 8003.3164)(1207.6002, 5609.5234)(1208.1066, 2532.3533)(1208.6014, 1359.285)(1209.095, 662.11)(1225.7465, 1272.4567)(1226.2362, 570.13995)(1226.8008, 397.66998)(1217.589, 11200.18)(1218.0894, 14510.253)(1218.5936, 9056.67)(1219.0939, 5007.2163)(1219.5985, 1505.2367)" 2411.2148@7.4760003 FindByFormula + 2411.2148 7.4760003 2416.5767@4.0665 "(1209.2964, 4369.095)(1209.793, 2872.3901)(1210.3018, 1047.73)(1210.7965, 394.36)(1220.2706, 621.56)(1220.7954, 340.4)(1221.294, 185.29)" 2416.5767@4.0665 FindByFormula + 2416.5767 4.0665 2416.5835@4.0535 "(1209.2958, 6986.415)(1209.796, 4574.815)(1210.2979, 1722.635)(1210.7808, 834.62)" 2416.5835@4.0535 FindByFormula + 2416.5835 4.0535 242.1295@7.5586996 "(241.12234, 2040.7992)(242.12456, 261.027)" 242.1295@7.5586996 FindByFormula - 242.1295 7.5586996 242.1764@0.90621734 "(243.18376, 7297.95)(244.18391, 1014.6996)(245.18045, 2520.9888)(246.18066, 364.86734)" 242.1764@0.90621734 FindByFormula + 242.1764 0.90621734 243.0746@0.921 "(509.1621, 490.64)(510.1698, 168.09)(244.08192, 5638.3765)(245.08177, 563.5267)(246.0887, 288.1)" 243.0746@0.921 FindByFormula + 243.0746 0.921 2430.8909@9.816999 "(1216.4523, 4929.825)(1216.9578, 5685.0703)(1217.4482, 2656.735)" 2430.8909@9.816999 FindByFormula + 2430.8909 9.816999 2433.1833@7.4750004 "(1217.5938, 25916.168)(1218.0922, 32240.738)(1218.5948, 21358.463)(1219.0946, 11250.314)(1219.5941, 1967.21)" 2433.1833@7.4750004 FindByFormula + 2433.1833 7.4750004 244.0507@0.8505 "(527.06805, 479.665)(528.07043, 220.32)" 244.0507@0.8505 FindByFormula + 244.0507 0.8505 244.0516@1.9875 "(527.069, 3833.435)(528.07117, 1309.5549)(511.0926, 813.335)(245.06125, 1029.425)(246.06674, 105.88)" 244.0516@1.9875 FindByFormula + 244.0516 1.9875 244.0707@1.0949999 "(527.0913, 482.35)(245.0766, 664.6)(267.05972, 3848.26)(268.06183, 855.7534)" 244.0707@1.0949999 FindByFormula + 244.0707 1.0949999 244.1429@1.6389999 "(245.15019, 8697.627)(246.154, 1142.26)" 244.1429@1.6389999 FindByFormula + 244.1429 1.6389999 244.1738@0.95133334 "(245.18019, 3165.1602)(246.1795, 1049.76)" 244.1738@0.95133334 FindByFormula + 244.1738 0.95133334 245.1459@10.1965 "(246.15305, 4709.42)(247.15436, 651.85)(248.15034, 326.19)" 245.1459@10.1965 FindByFormula + 245.1459 10.1965 2452.9084@9.845 "(1227.4602, 7286.953)(1227.9623, 7850.2266)(1228.4645, 3545.1667)" 2452.9084@9.845 FindByFormula + 2452.9084 9.845 246.1213@2.7086668 "(247.12862, 1257.59)(248.12909, 268.00998)(269.1051, 256.27)" 246.1213@2.7086668 FindByFormula + 246.1213 2.7086668 246.1231@1.7191429 "(247.12914, 2621.1658)(248.13596, 551.50146)(285.0843, 1103.21)(269.1102, 797.5928)" 246.1231@1.7191429 FindByFormula + 246.1231 1.7191429 2463.4236@7.91 "(1230.7097, 731.515)(1231.2085, 750.255)(1231.7043, 665.985)" 2463.4236@7.91 FindByFormula - 2463.4236 7.91 2480.2493@7.2015 "(1241.1416, 4779.96)(1241.6377, 14988.27)(1242.1371, 12381.895)(1242.6279, 4012.52)(1243.1394, 2848.12)(1243.6545, 649.66)(1261.6062, 1396.04)" 2480.2493@7.2015 FindByFormula + 2480.2493 7.2015 2480.7595@7.2103004 "(1241.3894, 12629.396)(1241.8884, 17101.48)(1242.3867, 8554.396)(1242.888, 2961.3801)(1243.3883, 948.125)(1243.9021, 489.086)(1263.3678, 1846.595)(1263.8712, 1973.605)(1260.3549, 1168.812)(1260.8539, 1063.7219)(1252.5408, 3613.2324)(1253.0417, 3682.5208)(1253.537, 2159.8247)(1254.0216, 1160.2942)(1254.3674, 678.2725)(1271.3593, 736.5533)(1271.8473, 1026.61)(1272.355, 506.915)" 2480.7595@7.2103004 FindByFormula + 2480.7595 7.2103004 2481.2576@7.2119164 "(1241.6368, 18475.303)(1242.1366, 14264.306)(1242.6361, 4827.0767)(1243.132, 1694.0416)(1243.633, 723.16797)(1244.1334, 409.89)(1252.6296, 3041.5708)(1253.1241, 2637.775)(1253.6293, 1109.9822)" 2481.2576@7.2119164 FindByFormula + 2481.2576 7.2119164 2482.2583@7.2044997 "(1242.1366, 15343.584)(1242.638, 5655.7)(1243.1396, 1984.615)(1243.6296, 301.495)" 2482.2583@7.2044997 FindByFormula + 2482.2583 7.2044997 2483.4187@9.378 "(1242.7168, 6109.39)(1243.221, 7734.0303)(1243.72, 5468.365)(1244.2246, 3730.9)(1244.7229, 1195.385)" 2483.4187@9.378 FindByFormula + 2483.4187 9.378 249.0864@1.8766669 "(250.09373, 9586.003)(251.0955, 1355.8707)(252.09668, 177.28273)" 249.0864@1.8766669 FindByFormula + 249.0864 1.8766669 249.9435@26.8936 "(250.95036, 2458.08)(251.95016, 786.38403)(252.94792, 830.242)" 249.9435@26.8936 FindByFormula + 249.9435 26.8936 2491.7627@7.2119994 "(1246.8828, 6098.7173)(1247.3822, 8901.261)(1247.8832, 4923.7812)(1248.3796, 1638.7784)(1248.8759, 621.25)(1265.851, 600.45)(1266.356, 826.08)(1266.8555, 460.75)(1257.8745, 1158.2875)(1258.3645, 871.63)" 2491.7627@7.2119994 FindByFormula + 2491.7627 7.2119994 2492.2583@7.219667 "(1247.1318, 10022.882)(1247.6324, 7607.3364)(1248.1318, 3359.9666)(1248.6284, 1030.8821)(1249.1206, 846.1)(1285.3026, 681.82996)(1285.7853, 273.15)(1286.0288, 181.44)(1258.128, 2883.6267)(1258.632, 2177.4734)(1259.122, 810.87335)" 2492.2583@7.219667 FindByFormula + 2492.2583 7.219667 2492.7478@7.216833 "(1247.3832, 9442.451)(1247.8842, 5447.2466)(1248.3788, 1816.0249)(1248.8727, 676.3984)(1249.3636, 103.58)(1267.3591, 1204.6475)(1267.8583, 1126.7424)(1268.3446, 728.675)" 2492.7478@7.216833 FindByFormula + 2492.7478 7.216833 2493.2512@7.192333 "(1247.6309, 6460.42)(1248.1284, 3132.6667)(1248.629, 970.04663)(1249.1051, 819.62)" 2493.2512@7.192333 FindByFormula + 2493.2512 7.192333 2498.6553@14.809 "(1250.322, 9729.46)(1250.8324, 12470.5)(1251.326, 12018.41)(1251.8304, 8751.64)(1252.3235, 4665.15)(1252.8229, 2026.37)(1269.305, 766.8)(1269.8116, 1264.93)(1270.3048, 906.1)(1261.3174, 10857.96)(1261.8245, 13628.381)(1262.3235, 10254.319)(1262.8274, 5288.89)(1263.3281, 2361.35)(1263.822, 977.44006)" 2498.6553@14.809 FindByFormula + 2498.6553 14.809 24-hydroxy-10Z-tetracosenoic acid "24-hydroxy-10Z-tetracosenoic acid [ C24 H46 O3, db=96.72, tgt=, overall=96.72, Lipid ID=LMFA01050215, METLIN ID=74592 ]" "(381.33643, 5457.9434)(382.33997, 1462.0083)(383.34644, 143.358)" 24-hydroxy-10Z-tetracosenoic acid FindByFormula - LMFA01050215 382.3437 26.045166 "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol [ C23 H40 O5, db=98.52, tgt=, overall=98.52, METLIN ID=43152 ]" "(831.5346, 1044.15)(397.29324, 2856.0828)(398.29395, 650.42017)(399.2964, 207.5833)(435.24957, 7934.3247)(436.2531, 2052.9924)(437.2412, 1083.3752)(438.23926, 311.9943)(419.2761, 264329.28)(420.27942, 69288.77)(421.28214, 11529.348)(422.28387, 1575.711)" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol" FindByFormula + 396.2885 17.571499 "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.567999" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol [ C23 H40 O5, db=99.36, tgt=, overall=99.36, METLIN ID=43152 ]" "(419.27634, 358554.25)(420.27972, 90339.13)(421.28238, 15075.015)(422.2839, 2235.1423)(423.28436, 326.2525)" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.567999" FindByFormula + 418.2688 17.567999 "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.647821" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol [ C23 H40 O5, db=99.97, tgt=, overall=99.97, METLIN ID=43152 ]" "(419.27682, 281222.2)(420.2802, 71640.51)(421.28268, 12289.526)(422.2849, 1736.9558)(423.2872, 242.33)" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.647821" FindByFormula + 418.27 17.647821 "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.653807" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol [ C23 H40 O5, db=99.88, tgt=, overall=99.88, METLIN ID=43152 ]" "(419.27673, 280786.75)(420.28012, 71279.66)(421.2826, 12259.385)" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.653807" FindByFormula + 418.2691 17.653807 "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.68" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol [ C23 H40 O5, db=99.24, tgt=, overall=99.24, METLIN ID=43152 ]" "(831.5369, 1136.011)(397.29358, 1955.695)(398.29144, 457.12396)(399.29706, 214.58)(435.25055, 8839.268)(436.25293, 2207.2322)(437.2406, 1243.1027)(438.24496, 282.00333)(419.27734, 325690.94)(420.28073, 82466.4)(421.28323, 13645.278)(422.28537, 1779.9116)" "24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol + 17.68" FindByFormula + 396.2887 17.68 "24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol" "24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol [ C28 H48 O9, mfg=72.55, db=72.44, tgt=, overall=72.49, Lipid ID=LMST01031079, METLIN ID=84029 ]" "(529.3367, 3619.315)(530.33264, 1467.7449)(551.3174, 5099.72)(552.3216, 1035.93)(553.3264, 679.62)" "24S-methylcholest-22E-en-3beta,4beta,5alpha,6alpha,8beta,14alpha,15alpha,25,28-nonol" FindByFormula + LMST01031079 528.329 8.406 2503.7383@7.212 "(1252.8768, 5446.955)(1253.3755, 3104.37)(1253.8838, 1216.26)(1271.8411, 1016.855)(1272.3384, 744.255)" 2503.7383@7.212 FindByFormula + 2503.7383 7.212 2514.6445@14.759666 "(1258.3153, 26746.531)(1258.8138, 36404.41)(1259.3173, 26200.078)(1259.8186, 14701.63)(1260.3179, 6642.367)(1260.8267, 4537.455)" 2514.6445@14.759666 FindByFormula + 2514.6445 14.759666 252.1094@1.316625 "(253.1186, 849.93)(254.12079, 390.23)(255.1104, 113.08)(291.07135, 257460.67)(292.0738, 35238.887)(275.10013, 346.032)(276.08252, 1012.595)" 252.1094@1.316625 FindByFormula + 252.1094 1.316625 2520.598@14.800667 "(1261.3102, 2249.7131)(1261.8185, 2600.7068)(1262.327, 2133.7866)" 2520.598@14.800667 FindByFormula + 2520.598 14.800667 2520.6506@14.8005 "(1261.3167, 10310.6455)(1261.8237, 12881.305)(1262.322, 9637.98)(1262.8274, 5095.3403)(1263.3245, 2217.605)" 2520.6506@14.8005 FindByFormula + 2520.6506 14.8005 2523.592@13.707001 "(1262.8062, 4443.0337)(1263.3141, 2152.3633)(1263.8058, 2990.0566)(1264.31, 880.8033)(1264.7975, 1186.0734)(1265.2838, 262.95667)" 2523.592@13.707001 FindByFormula + 2523.592 13.707001 2524.9202@8.5715 "(1263.471, 3484.69)(1263.948, 1306.365)(1264.4608, 124.35)" 2524.9202@8.5715 FindByFormula + 2524.9202 8.5715 2527.45@9.420333 "(1264.7284, 5891.1265)(1265.2316, 6951.2466)(1265.7344, 4520.823)(1266.2284, 2601.5667)(1266.7264, 1178.0033)(1267.2552, 876.4)" 2527.45@9.420333 FindByFormula + 2527.45 9.420333 254.9361@27.240356 "(255.94417, 7582.3853)(256.9415, 669.64856)(257.94308, 273.60498)" 254.9361@27.240356 FindByFormula + 254.9361 27.240356 254.9366@27.279543 "(255.9441, 7080.003)(256.94177, 537.48364)(257.94415, 286.15)" 254.9366@27.279543 FindByFormula + 254.9366 27.279543 254.9368@27.246876 "(255.94429, 7056.001)(256.9423, 547.1925)(257.9447, 266.99)" 254.9368@27.246876 FindByFormula + 254.9368 27.246876 255.2559@13.201751 "(256.2638, 5231.8853)(257.2661, 994.875)" 255.2559@13.201751 FindByFormula + 255.2559 13.201751 2556.5286@9.26 "(1279.5193, 15766.029)(1280.0144, 17840.99)(1280.5126, 8507.37)(1280.7596, 3794.87)" 2556.5286@9.26 FindByFormula + 2556.5286 9.26 2556.852@9.2630005 "(1279.4376, 10694.194)(1279.9337, 18538.977)(1280.43, 8872.82)(1280.936, 2452.0767)(1281.4429, 773.4067)(1298.7441, 865.9033)(1298.9077, 877.99)(1299.414, 958.72)" 2556.852@9.2630005 FindByFormula + 2556.852 9.2630005 2556.8555@9.257667 "(1279.4364, 10123.047)(1279.9326, 17693.707)(1280.433, 7942.3696)" 2556.8555@9.257667 FindByFormula + 2556.8555 9.257667 2557.1848@9.257668 "(1279.6014, 16176.257)(1280.0992, 15463.683)(1280.5975, 5302.6597)(1281.0936, 829.26666)(1281.5929, 1025.91)(1290.8395, 2226.54)(1291.3408, 889.145)(1291.5676, 482.08)" 2557.1848@9.257668 FindByFormula + 2557.1848 9.257668 2557.5095@9.252 "(1279.7675, 18958.068)(1280.2657, 11649.192)(1280.7621, 4050.14)(1281.2852, 1463.71)" 2557.5095@9.252 FindByFormula + 2557.5095 9.252 2557.5154@9.2565 "(1279.7683, 18085.785)(1280.2664, 11180.115)(1280.7632, 4177.775)" 2557.5154@9.2565 FindByFormula + 2557.5154 9.2565 256.1792@6.352 "(257.1861, 2094.5176)(258.1873, 611.64)(279.16885, 447.355)" 256.1792@6.352 FindByFormula + 256.1792 6.352 2564.183@9.2435 "(1283.0978, 4611.29)(1283.594, 9778.436)(1284.0913, 4752.5)(1284.6001, 2014.48)(1285.0923, 256.95)" 2564.183@9.2435 FindByFormula + 2564.183 9.2435 2564.505@9.257 "(1283.2656, 7234.2646)(1283.7632, 7623.28)(1284.2644, 3181.705)(1284.7538, 410.26)" 2564.505@9.257 FindByFormula + 2564.505 9.257 2564.8423@9.276501 "(1283.427, 13789.654)(1283.9249, 9617.561)(1284.425, 2626.62)" 2564.8423@9.276501 FindByFormula + 2564.8423 9.276501 2569.833@9.2515 "(1285.925, 5495.365)(1286.4229, 5661.245)(1286.9268, 5656.385)(1287.425, 4239.2)(1287.925, 2336.96)(1288.4004, 650.1)(1297.408, 1765.825)(1297.9126, 1032.64)" 2569.833@9.2515 FindByFormula + 2569.833 9.2515 257.104@2.2465 "(296.0662, 321.66)(280.094, 240.62)(281.10004, 63.739998)" 257.104@2.2465 FindByFormula + 257.104 2.2465 257.1543@1.1145 "(515.31757, 1788.23)(516.3126, 762.475)(517.3157, 736.69995)(258.1626, 618.59)" 257.1543@1.1145 FindByFormula + 257.1543 1.1145 257.1988@7.679 "(258.20667, 6197.81)(259.2113, 746.025)(260.2112, 196.88)(280.1893, 306.46)" 257.1988@7.679 FindByFormula + 257.1988 7.679 2570.1638@9.26 "(1286.0913, 6742.2246)(1286.5852, 6294.995)" 2570.1638@9.26 FindByFormula + 2570.1638 9.26 2571.4834@9.426 "(1286.745, 6156.53)(1287.2504, 8067.6196)(1287.7496, 5108.2603)(1288.2485, 2874.1934)(1288.7504, 1130.765)" 2571.4834@9.426 FindByFormula + 2571.4834 9.426 259.1555@1.0595 "(519.3102, 835.61)(520.3056, 261.74)(260.1602, 684.76)(261.1685, 198.6)" 259.1555@1.0595 FindByFormula + 259.1555 1.0595 25-hydroxyvitamin D2 25-(beta-glucuronide) "25-hydroxyvitamin D2 25-(beta-glucuronide) [ C34 H52 O8, db=81.21, tgt=, overall=81.21, Lipid ID=LMST05010021, METLIN ID=43182 ]" "(306.17767, 472.08435)(306.6783, 137.13687)(611.3551, 105012.46)(612.35815, 37721.57)(613.35675, 16340.101)(614.35474, 4993.1846)(615.35205, 1170.2675)" 25-hydroxyvitamin D2 25-(beta-glucuronide) FindByFormula + LMST05010021 610.3482 17.217728 25-hydroxyvitamin D2 25-(beta-glucuronide) + 17.21659 "25-hydroxyvitamin D2 25-(beta-glucuronide) [ C34 H52 O8, db=81.10, tgt=, overall=81.10, Lipid ID=LMST05010021, METLIN ID=43182 ]" "(611.35474, 108642.05)(612.35785, 39047.055)(613.3558, 17188.123)" 25-hydroxyvitamin D2 25-(beta-glucuronide) + 17.21659 FindByFormula + LMST05010021 610.3453 17.21659 25-hydroxyvitamin D2 25-(beta-glucuronide) + 17.217728 "25-hydroxyvitamin D2 25-(beta-glucuronide) [ C34 H52 O8, db=83.17, tgt=, overall=83.17, Lipid ID=LMST05010021, METLIN ID=43182 ]" "(306.1749, 599.2033)(306.6777, 225.39667)(611.35504, 105341.85)(612.35815, 37835.395)(613.35645, 16280.915)(614.35266, 1826.835)(615.3511, 671.29)" 25-hydroxyvitamin D2 25-(beta-glucuronide) + 17.217728 FindByFormula + LMST05010021 610.3479 17.217728 25-hydroxyvitamin D2 25-(beta-glucuronide) + 17.21824 "25-hydroxyvitamin D2 25-(beta-glucuronide) [ C34 H52 O8, db=81.07, tgt=, overall=81.07, Lipid ID=LMST05010021, METLIN ID=43182 ]" "(573.3962, 2222.785)(574.4045, 969.03424)(575.4067, 238.99084)(611.3551, 106362.77)(612.35815, 38262.34)(613.3564, 16508.855)(614.3535, 4517.342)(615.3535, 1285.9)" 25-hydroxyvitamin D2 25-(beta-glucuronide) + 17.21824 FindByFormula + LMST05010021 572.3918 17.21824 "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 [ C27 H38 F6 O2, db=92.55, tgt=, overall=92.55, Lipid ID=LMST03020085, METLIN ID=42025 ]" "(507.26996, 8695.285)(508.27335, 2025.285)(509.27795, 465.79498)" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3" FindByFormula - LMST03020085 508.2763 18.0215 "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 16.918499" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 [ C27 H38 F6 O2, db=82.31, tgt=, overall=82.31, Lipid ID=LMST03020085, METLIN ID=42025 ]" "(507.2697, 2876.24)(508.27356, 528.075)(509.2768, 132.605)" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 16.918499" FindByFormula - LMST03020085 508.2758 16.918499 "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 16.918499 :1" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 [ C27 H38 F6 O2, db=82.31, tgt=, overall=82.31, Lipid ID=LMST03020085, METLIN ID=42025 ]" "(507.2697, 2876.24)(508.27356, 528.075)(509.2768, 132.605)" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 16.918499 :1" FindByFormula - LMST03020085 508.2772 16.918499 "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 16.918499 :2" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 [ C27 H38 F6 O2, db=82.31, tgt=, overall=82.31, Lipid ID=LMST03020085, METLIN ID=42025 ]" "(507.2697, 2876.24)(508.27356, 528.075)(509.2768, 132.605)" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 16.918499 :2" FindByFormula - LMST03020085 508.2786 16.918499 "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 17.436249" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 [ C27 H38 F6 O2, db=97.32, tgt=, overall=97.32, Lipid ID=LMST03020085, METLIN ID=42025 ]" "(507.26956, 22546.248)(508.2731, 6109.875)(509.27618, 1254.7937)" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 17.436249" FindByFormula - LMST03020085 508.274 17.436249 "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 17.436249 :1" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 [ C27 H38 F6 O2, db=97.32, tgt=, overall=97.32, Lipid ID=LMST03020085, METLIN ID=42025 ]" "(507.26956, 22546.248)(508.2731, 6109.875)(509.27618, 1254.7937)" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 17.436249 :1" FindByFormula - LMST03020085 508.2726 17.436249 "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 18.001665" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 [ C27 H38 F6 O2, db=89.65, tgt=, overall=89.65, Lipid ID=LMST03020085, METLIN ID=42025 ]" "(507.27017, 5973.68)(508.2736, 1392.4233)(509.27795, 465.79498)" "26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 - 18.001665" FindByFormula - LMST03020085 508.2749 18.001665 "26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3" "26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 [ C27 H34 F6 O2, db=48.22, tgt=, overall=48.22, Lipid ID=LMST03020079, METLIN ID=42019 ]" "(505.25156, 4698.5234)(506.25143, 1886.5468)" "26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3" FindByFormula + LMST03020079 504.248 13.732333 "26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2" "26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2 [ C28 H38 F6 O2, db=61.51, tgt=, overall=61.51, Lipid ID=LMST03010008, METLIN ID=41894 ]" "(521.2838, 3549.6277)(522.2852, 1476.945)(543.26685, 1106.935)" "26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D2" FindByFormula + LMST03010008 520.2781 4.22875 "26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3" "26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3 [ C27 H38 F6 O2, db=97.75, tgt=, overall=97.75, Lipid ID=LMST03020086, METLIN ID=42026 ]" "(507.2706, 7793.08)(508.2739, 2129.17)(509.27966, 426.875)" "26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3" FindByFormula - LMST03020086 508.279 17.713501 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=99.25, tgt=, overall=99.25, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(441.29733, 15754.159)(442.30148, 4529.031)(443.30493, 756.07837)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3" FindByFormula + LMST03020024 440.29 27.046076 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 21.936144" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=94.60, tgt=, overall=94.60, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(859.59766, 267.615)(860.5964, 129.34)(419.3148, 4805.7314)(420.31818, 1828.4456)(421.3188, 254.48715)(441.29688, 12845.417)(442.30234, 3628.9285)(443.30844, 582.20337)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 21.936144" FindByFormula + LMST03020024 418.3066 21.936144 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.023287" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=95.68, tgt=, overall=95.68, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(859.6003, 2110.49)(419.31473, 7332.0244)(420.31863, 2270.42)(421.31842, 488.99435)(457.2756, 198.26)(441.29678, 17605.502)(442.30203, 5143.0513)(443.30695, 863.2108)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.023287" FindByFormula + LMST03020024 418.3072 22.023287 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.023703" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=95.83, tgt=, overall=95.83, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(441.29712, 17118.137)(442.3022, 4819.909)(443.30807, 770.94135)(444.30872, 188.73833)(479.2514, 9589.87)(480.2564, 2414.26)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.023703" FindByFormula + LMST03020024 440.2897 22.023703 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.02437" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=96.90, tgt=, overall=96.90, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(441.29694, 18950.398)(442.30185, 5458.36)(443.3061, 773.45337)(444.2962, 327.3)(479.25357, 117.56)(480.2461, 25.03)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.02437" FindByFormula + LMST03020024 440.2892 22.02437 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.43575" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=95.85, tgt=, overall=95.85, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(441.29745, 15279.42)(442.30237, 4365.3853)(443.30835, 714.71497)(479.24866, 76.82)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 22.43575" FindByFormula + LMST03020024 440.29 22.43575 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 23.176498" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=89.37, tgt=, overall=89.37, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(875.5796, 118.18)(419.31482, 1807.69)(420.3175, 804.465)(421.3219, 332.075)(441.2964, 3647.48)(442.3024, 933.61)(443.3122, 140.62)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 23.176498" FindByFormula + LMST03020024 418.3077 23.176498 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 23.3204" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=76.85, tgt=, overall=76.85, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(441.29736, 2883.484)(442.30313, 690.43805)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 23.3204" FindByFormula + LMST03020024 440.2897 23.3204 "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 27.428331" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 [ C26 H39 F3 O2, db=94.84, tgt=, overall=94.84, Lipid ID=LMST03020024, METLIN ID=41965 ]" "(441.29666, 6947.8833)(442.3014, 1703.255)(443.30463, 255.86201)" "26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 + 27.428331" FindByFormula + LMST03020024 440.2889 27.428331 260.139@3.9685001 "(261.1452, 4029.0898)(262.1525, 577.6)(283.1262, 919.785)" 260.139@3.9685001 FindByFormula + 260.139 3.9685001 261.1237@1.123 "(262.1284, 12202.322)(263.1324, 1584.985)(264.13345, 1387.7949)" 261.1237@1.123 FindByFormula + 261.1237 1.123 261.1238@2.5725 "(262.1299, 1798.015)(263.13013, 486.21)" 261.1238@2.5725 FindByFormula + 261.1238 2.5725 2615.4922@9.42 "(1308.7568, 8470.48)(1309.2588, 10915.605)(1309.7594, 7915.995)(1310.2625, 4945.0)(1310.7599, 2108.355)(1311.2488, 1048.77)" 2615.4922@9.42 FindByFormula + 2615.4922 9.42 262.0818@10.512334 "(261.07397, 980.24335)(262.07632, 119.27334)" 262.0818@10.512334 FindByFormula - 262.0818 10.512334 263.1495@9.498334 "(264.1567, 2893.9602)(265.1588, 646.52)" 263.1495@9.498334 FindByFormula + 263.1495 9.498334 265.9212@1.5783333 "(266.92807, 1251.0366)(267.92966, 248.39001)(268.923, 1002.59)" 265.9212@1.5783333 FindByFormula + 265.9212 1.5783333 2656.9167@9.193999 "(1329.4647, 12895.23)(1329.9629, 23960.639)(1330.46, 11007.349)(1330.9557, 2759.5664)(1331.4633, 1060.79)" 2656.9167@9.193999 FindByFormula + 2656.9167 9.193999 2657.2542@9.183 "(1329.6305, 19364.78)(1330.128, 20694.727)(1330.6295, 7253.1763)(1331.1318, 2508.5566)(1331.6521, 1945.14)(1351.6049, 1989.44)(1352.1047, 1445.66)" 2657.2542@9.183 FindByFormula + 2657.2542 9.183 2658.2405@9.183 "(1330.1274, 20669.27)(1330.6285, 7528.9595)(1331.1316, 2638.3066)" 2658.2405@9.183 FindByFormula + 2658.2405 9.183 2659.5156@9.4285 "(1330.7711, 8956.82)(1331.2739, 12081.165)(1331.7756, 8759.07)(1332.2747, 4883.0303)(1332.7677, 2414.51)(1333.2686, 618.78)" 2659.5156@9.4285 FindByFormula + 2659.5156 9.4285 266.1107@11.277 "(267.11984, 1128.275)(268.11438, 198.60501)" 266.1107@11.277 FindByFormula + 266.1107 11.277 266.1123@9.097 "(267.12115, 3860.145)(268.12436, 844.24)(289.1052, 3557.63)(290.1091, 341.28)" 266.1123@9.097 FindByFormula + 266.1123 9.097 2664.2349@9.211 "(1333.1282, 5590.0054)(1333.6216, 8386.195)(1334.1217, 5334.415)(1352.1058, 1177.9851)(1352.6006, 930.19)(1353.12, 261.55)" 2664.2349@9.211 FindByFormula + 2664.2349 9.211 2664.5718@9.1935005 "(1333.2902, 9035.756)(1333.7937, 10315.619)(1334.2947, 5009.45)(1334.7823, 437.95)" 2664.5718@9.1935005 FindByFormula + 2664.5718 9.1935005 269.0834@3.5162501 "(270.0913, 5322.0825)(271.09332, 568.5125)(272.08765, 332.75)" 269.0834@3.5162501 FindByFormula + 269.0834 3.5162501 26-hydroxycholesterol 3-sulfate "26-hydroxycholesterol 3-sulfate [ C27 H46 O5 S, db=58.55, tgt=, overall=58.55, Lipid ID=LMST05020013, METLIN ID=57969 ]" "(481.2977, 1327.905)(482.30115, 543.08496)" 26-hydroxycholesterol 3-sulfate FindByFormula - LMST05020013 482.3065 18.5035 26-hydroxycholesterol 3-sulfate - 18.5035 "26-hydroxycholesterol 3-sulfate [ C27 H46 O5 S, db=75.22, tgt=, overall=75.22, Lipid ID=LMST05020013, METLIN ID=57969 ]" "(481.2977, 1327.905)(482.30115, 543.08496)(483.2963, 70.29)" 26-hydroxycholesterol 3-sulfate - 18.5035 FindByFormula - LMST05020013 482.3053 18.5035 26-hydroxycholesterol 3-sulfate - 18.639 "26-hydroxycholesterol 3-sulfate [ C27 H46 O5 S, db=79.41, tgt=, overall=79.41, Lipid ID=LMST05020013, METLIN ID=57969 ]" "(481.29712, 1412.8766)(482.3008, 492.31665)(483.2964, 229.0)" 26-hydroxycholesterol 3-sulfate - 18.639 FindByFormula - LMST05020013 482.3054 18.639 "26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside" "26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside [ C46 H76 O17, db=47.95, tgt=, overall=47.95, Lipid ID=LMST01070008, METLIN ID=84159 ]" "(901.5121, 3651.6843)(902.5106, 1878.3519)(903.5111, 1028.81)(923.4822, 154.76)" "26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside" FindByFormula + LMST01070008 900.5053 1.7737999 "26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside - 7.5473332" "26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside [ C46 H76 O17, db=56.07, tgt=, overall=56.07, Lipid ID=LMST01070008, METLIN ID=84159 ]" "(899.50397, 1339.2284)(900.503, 683.5683)" "26-O-beta-D-glucopyranosyl-3beta,26-dihydroxy-25(R)-furosta-5,20(22)-dien-3-O-alpha-L-rhamnopyranosyl(1-2)-beta-D-glucopyranoside - 7.5473332" FindByFormula - LMST01070008 900.5075 7.5473332 270.158@7.0415 "(271.16577, 8676.92)(272.16696, 1299.8099)" 270.158@7.0415 FindByFormula + 270.158 7.0415 270.1583@7.0415 "(271.16577, 8676.92)(272.16696, 1299.8099)" 270.1583@7.0415 FindByFormula + 270.1583 7.0415 270.2785@1.2325 "(271.28595, 3338.4)(272.28888, 610.66)" 270.2785@1.2325 FindByFormula + 270.2785 1.2325 2700.3193@6.9084997 "(1351.1655, 2161.435)(1351.6685, 3313.635)(1352.1719, 2478.33)(1352.676, 1504.575)(1353.1644, 834.93)" 2700.3193@6.9084997 FindByFormula + 2700.3193 6.9084997 2703.5542@9.4665 "(1352.7837, 6817.0425)(1353.2847, 8722.302)(1353.7903, 6682.8877)(1354.2839, 3621.2375)(1354.7955, 1807.0076)(1355.289, 873.9367)" 2703.5542@9.4665 FindByFormula + 2703.5542 9.4665 271.1548@1.7876667 "(272.16238, 1892.3334)(273.16476, 326.77332)(274.16772, 1279.6566)(310.121, 419.15)(294.14355, 1007.5434)" 271.1548@1.7876667 FindByFormula + 271.1548 1.7876667 271.2491@11.217251 "(272.25754, 992.0775)(273.26062, 296.2125)" 271.2491@11.217251 FindByFormula + 271.2491 11.217251 271.2869@12.9142 "(272.29437, 1596.874)(273.2972, 362.67603)" 271.2869@12.9142 FindByFormula + 271.2869 12.9142 273.1686@3.86875 "(274.17648, 4403.9336)(275.17776, 918.50336)(296.15796, 1695.96)(297.16275, 278.16998)(298.1627, 735.35)" 273.1686@3.86875 FindByFormula + 273.1686 3.86875 273.1932@8.623 "(274.2011, 4753.38)(275.2025, 1078.025)" 273.1932@8.623 FindByFormula + 273.1932 8.623 273.1946@8.718333 "(274.2015, 6378.6147)(275.20303, 1109.8783)(296.18185, 866.77)" 273.1946@8.718333 FindByFormula + 273.1946 8.718333 274.0907@1.1525 "(275.09967, 1986.01)(276.0953, 441.02)(297.0816, 1522.31)" 274.0907@1.1525 FindByFormula + 274.0907 1.1525 274.1509@1.395 "(275.161, 2133.77)(276.15698, 465.865)" 274.1509@1.395 FindByFormula + 274.1509 1.395 274.2009@0.7505 "(275.20786, 3241.6924)(276.21005, 953.22253)(297.19016, 706.17)" 274.2009@0.7505 FindByFormula + 274.2009 0.7505 2747.583@9.479667 "(1374.7946, 5200.4434)(1375.2979, 6883.0566)(1375.8018, 4913.9165)(1376.3011, 3396.2832)(1376.8108, 2169.92)(1377.2957, 662.685)(1377.8142, 154.96)" 2747.583@9.479667 FindByFormula + 2747.583 9.479667 276.1052@1.085 "(277.11334, 6438.8047)(278.1181, 858.275)" 276.1052@1.085 FindByFormula + 276.1052 1.085 276.1196@2.04625 "(277.12787, 11265.005)(278.13055, 1534.1)(279.13513, 218.375)" 276.1196@2.04625 FindByFormula + 276.1196 2.04625 277.1129@1.106 "(278.12357, 2036.59)(279.12155, 646.8934)" 277.1129@1.106 FindByFormula + 277.1129 1.106 278.1954@9.7056 "(279.2031, 3041.3562)(280.20605, 532.194)" 278.1954@9.7056 FindByFormula + 278.1954 9.7056 2786.65@9.4615 "(1394.3259, 3257.645)(1394.8369, 4416.5947)(1395.3376, 3531.2)(1395.842, 2588.095)(1396.3492, 1139.795)" 2786.65@9.4615 FindByFormula + 2786.65 9.4615 2791.6072@9.48325 "(1396.8093, 5882.035)(1397.3091, 8120.3447)(1397.8142, 5821.295)(1398.3174, 3678.835)(1398.821, 1528.5751)(1399.3091, 586.7175)(1399.7864, 59.95)" 2791.6072@9.48325 FindByFormula + 2791.6072 9.48325 "27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol" "27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol [ C27 H48 O9, db=69.00, tgt=, overall=69.00, Lipid ID=LMST01031078, METLIN ID=84028 ]" "(539.3182, 3880.8477)(540.31805, 1389.935)(541.314, 366.08496)" "27-nor-24S-methylcholestan-3beta,4beta,5alpha,6alpha,7beta,8beta,14alpha,15alpha,24-nonol" FindByFormula + LMST01031078 538.3086 13.11 "27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol" "27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=90.66, tgt=, overall=90.66, CAS ID=78648-95-0, Lipid ID=LMST01010213, HMP ID=HMDB02126, METLIN ID=57654 ]" 78648-95-0 "(461.32346, 7181.1426)(462.32574, 2317.0862)(463.3249, 529.73267)" "27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol" FindByFormula HMDB02126 + LMST01010213 460.3169 10.989768 "27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol + 10.998" "27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol [ C26 H46 O5, db=84.79, tgt=, overall=84.79, CAS ID=78648-95-0, Lipid ID=LMST01010213, HMP ID=HMDB02126, METLIN ID=57654 ]" 78648-95-0 "(461.32318, 8725.404)(462.3266, 2834.4512)(463.3095, 360.33)" "27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol + 10.998" FindByFormula HMDB02126 + LMST01010213 460.3162 10.998 27-Norcholestanehexol "27-Norcholestanehexol [ C26 H46 O6, db=98.42, tgt=, overall=98.42, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.31833, 25270.332)(478.3216, 7155.203)(479.32257, 1375.8514)(480.3154, 402.91)" 27-Norcholestanehexol FindByFormula + LMST04020029 476.3108 18.3108 27-Norcholestanehexol + 18.2344 "27-Norcholestanehexol [ C26 H46 O6, db=97.32, tgt=, overall=97.32, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.31836, 18116.027)(478.32153, 5277.288)(479.32205, 1268.215)" 27-Norcholestanehexol + 18.2344 FindByFormula + LMST04020029 476.311 18.2344 27-Norcholestanehexol + 18.2705 "27-Norcholestanehexol [ C26 H46 O6, db=94.23, tgt=, overall=94.23, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.31842, 22267.262)(478.32196, 6109.0923)(479.3214, 1763.27)(480.3281, 457.55)" 27-Norcholestanehexol + 18.2705 FindByFormula + LMST04020029 476.3112 18.2705 27-Norcholestanehexol + 18.287502 "27-Norcholestanehexol [ C26 H46 O6, db=98.01, tgt=, overall=98.01, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(975.6261, 212.095)(477.3182, 19968.63)(478.3215, 5686.353)(479.32202, 1194.4199)(480.3256, 276.12)" 27-Norcholestanehexol + 18.287502 FindByFormula + LMST04020029 476.3104 18.287502 27-Norcholestanehexol + 18.648336 "27-Norcholestanehexol [ C26 H46 O6, db=93.60, tgt=, overall=93.60, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(975.6301, 206.32)(477.31836, 18830.836)(478.322, 5702.9473)(479.32318, 1908.6976)(480.31946, 360.245)" 27-Norcholestanehexol + 18.648336 FindByFormula + LMST04020029 476.3111 18.648336 27-Norcholestanehexol + 18.66095 "27-Norcholestanehexol [ C26 H46 O6, db=97.76, tgt=, overall=97.76, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(975.6198, 289.5)(976.5977, 243.95)(477.31802, 16853.365)(478.32172, 4811.7124)(479.32358, 1086.442)(480.3082, 243.39)" 27-Norcholestanehexol + 18.66095 FindByFormula + LMST04020029 476.3099 18.66095 27-Norcholestanehexol + 18.749523 "27-Norcholestanehexol [ C26 H46 O6, db=97.34, tgt=, overall=97.34, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.3187, 16739.393)(478.32217, 4904.2075)(479.32397, 393.88)" 27-Norcholestanehexol + 18.749523 FindByFormula + LMST04020029 476.3116 18.749523 27-Norcholestanehexol + 18.758667 "27-Norcholestanehexol [ C26 H46 O6, mfg=89.98, db=90.99, tgt=, overall=45.50, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.31857, 13698.501)(478.32202, 3930.6658)(479.32397, 1540.9567)(480.325, 424.92)" 27-Norcholestanehexol + 18.758667 FindByFormula + LMST04020029 476.3112 18.758667 27-Norcholestanehexol + 18.917 "27-Norcholestanehexol [ C26 H46 O6, db=79.47, tgt=, overall=79.47, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.31775, 23097.514)(478.32144, 6448.53)" 27-Norcholestanehexol + 18.917 FindByFormula + LMST04020029 476.3111 18.917 27-Norcholestanehexol + 19.171001 "27-Norcholestanehexol [ C26 H46 O6, db=80.21, tgt=, overall=80.21, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.31815, 1582.665)(478.3225, 441.6)" 27-Norcholestanehexol + 19.171001 FindByFormula + LMST04020029 476.3103 19.171001 27-Norcholestanehexol + 19.832335 "27-Norcholestanehexol [ C26 H46 O6, db=68.40, tgt=, overall=68.40, Lipid ID=LMST04020029, METLIN ID=57911 ]" "(477.3179, 2347.9666)(478.32254, 700.98663)(479.3323, 430.19)" 27-Norcholestanehexol + 19.832335 FindByFormula + LMST04020029 476.3099 19.832335 280.0479@1.1430434 "(279.0407, 18057.885)(280.04352, 1960.6301)(281.0377, 6083.8423)" 280.0479@1.1430434 FindByFormula - 280.0479 1.1430434 281.0412@5.2009997 "(282.0485, 2235.77)(283.04813, 194.97333)(284.04416, 239.26001)" 281.0412@5.2009997 FindByFormula + 281.0412 5.2009997 282.0894@2.001 "(283.0974, 6967.16)(284.0996, 1359.585)" 282.0894@2.001 FindByFormula + 282.0894 2.001 282.1945@8.6706 "(305.1852, 12691.986)(306.18726, 2521.8801)" 282.1945@8.6706 FindByFormula + 282.1945 8.6706 2828.9956@9.9675 "(1415.5104, 17648.355)(1416.0077, 40497.49)(1416.5073, 23097.623)(1417.0068, 7257.3696)(1417.5068, 5558.3447)(1418.0171, 2146.355)(1437.4928, 2436.67)(1437.9792, 1402.245)(1438.4708, 1621.53)(1426.4913, 5876.895)(1426.9938, 4760.705)(1427.492, 2768.0151)(1446.3102, 1179.1034)(1446.8068, 585.26337)(1447.3052, 1463.1934)(1447.4736, 1540.935)(1447.9598, 1204.97)(1448.4764, 388.37)" 2828.9956@9.9675 FindByFormula + 2828.9956 9.9675 2829.018@9.9735 "(1415.5128, 20705.03)(1416.01, 48630.785)(1416.5088, 28354.379)(1417.0098, 8868.766)(1417.5159, 3907.2202)(1437.4937, 1610.48)(1437.9946, 870.29)(1426.4977, 4866.74)(1426.996, 4402.1)(1427.5065, 2951.13)(1446.9663, 2169.46)(1447.4814, 1219.19)(1447.9792, 1152.35)(1448.4668, 594.87)" 2829.018@9.9735 FindByFormula + 2829.018 9.9735 2829.0183@9.9735 "(1415.5137, 20899.215)(1416.0098, 48785.39)(1416.509, 28126.04)(1417.0105, 8828.141)(1417.5172, 3401.51)" 2829.0183@9.9735 FindByFormula + 2829.0183 9.9735 2829.327@9.97375 "(1415.6772, 39954.8)(1416.1731, 51209.93)(1416.6699, 22313.232)(1417.1705, 7903.8364)(1417.6696, 3235.4766)(1418.1925, 3383.45)(1453.6509, 1300.8201)(1454.1208, 1215.715)(1454.6063, 711.48)(1437.8257, 2113.79)(1438.311, 1488.6666)(1438.817, 1782.9235)(1439.6448, 2237.97)(1435.8159, 2186.2566)(1436.3177, 2349.2131)(1436.8213, 2192.3035)(1437.1624, 1844.27)" 2829.327@9.97375 FindByFormula + 2829.327 9.97375 2829.328@9.953 "(1415.6782, 31911.637)(1416.1746, 41193.52)(1416.6702, 17883.492)(1417.1757, 7697.18)(1417.6738, 3966.99)(1438.3903, 1553.135)(1438.628, 108.58)" 2829.328@9.953 FindByFormula + 2829.328 9.953 2829.328@9.9695 "(1415.6765, 43455.67)(1416.1742, 54918.273)(1416.6697, 24008.865)(1417.1718, 4000.6133)(1417.6714, 1665.315)(1438.646, 1640.24)(1439.1456, 1788.38)" 2829.328@9.9695 FindByFormula + 2829.328 9.9695 2829.6584@9.9325 "(1415.8427, 35029.492)(1416.3402, 28155.838)(1416.838, 9452.761)(1417.3445, 7824.76)(1417.8477, 3927.2)(1436.319, 1854.96)(1436.8098, 1407.3)(1437.3138, 1529.38)(1437.8306, 1481.4)(1426.8324, 3844.3503)(1427.3282, 2802.3167)(1427.81, 564.185)" 2829.6584@9.9325 FindByFormula + 2829.6584 9.9325 2829.6594@9.935286 "(1415.8429, 32842.457)(1416.3392, 26471.785)(1416.8405, 8921.972)(1417.341, 5988.2065)(1417.8491, 2721.7634)(1436.325, 2786.26)(1436.8281, 3833.77)(1437.3127, 2864.09)(1437.8247, 2047.94)(1426.8331, 3728.39)(1427.345, 3166.71)(1427.8365, 1363.59)" 2829.6594@9.935286 FindByFormula + 2829.6594 9.935286 2829.6606@9.9325 "(1415.8439, 36900.91)(1416.3405, 29248.896)(1416.8345, 10189.323)(1417.3291, 170.25)(1436.3241, 767.17334)(1436.8242, 735.39667)(1436.8124, 798.1)" 2829.6606@9.9325 FindByFormula + 2829.6606 9.9325 283.2901@15.017 "(284.29602, 4976.67)(285.2978, 1169.725)" 283.2901@15.017 FindByFormula + 283.2901 15.017 2836.3264@9.9585 "(1419.1714, 9115.66)(1419.669, 20453.13)(1420.1663, 12294.5)(1420.6718, 3625.77)(1421.1609, 1399.5)" 2836.3264@9.9585 FindByFormula + 2836.3264 9.9585 2836.6614@9.934999 "(1419.3359, 4627.45)(1419.8379, 6825.135)(1420.3322, 3785.595)(1420.8212, 632.12)(1443.3093, 1050.13)(1443.8055, 423.58)(1444.3163, 153.48)(1439.3082, 630.77)(1439.8085, 338.27)(1440.3087, 763.75)" 2836.6614@9.934999 FindByFormula + 2836.6614 9.934999 2836.987@9.955667 "(1419.5044, 9225.91)(1420.0049, 8950.517)(1420.4961, 2944.3801)(1420.9751, 1322.5867)(1439.814, 1685.7134)(1440.2424, 1026.605)" 2836.987@9.955667 FindByFormula + 2836.987 9.955667 2842.9736@9.9585 "(1422.4966, 11949.485)(1422.9963, 11473.84)(1423.4937, 9025.81)(1423.99, 4251.005)(1424.4854, 1864.3201)" 2842.9736@9.9585 FindByFormula + 2842.9736 9.9585 2844.639@9.9244995 "(1423.3308, 11804.475)(1423.828, 6531.3203)(1424.3352, 2123.27)(1424.8243, 1365.74)(1445.307, 1451.27)(1445.8048, 1446.64)(1446.2933, 1059.37)" 2844.639@9.9244995 FindByFormula + 2844.639 9.9244995 2849.634@9.952001 "(1425.8297, 5870.596)(1426.3304, 5629.3364)(1426.826, 4846.0234)(1427.3295, 3494.46)(1427.8176, 996.06506)(1444.811, 999.41003)(1445.2898, 830.95)(1456.5564, 1529.995)(1457.0471, 1532.2251)(1457.5547, 782.66504)" 2849.634@9.952001 FindByFormula + 2849.634 9.952001 285.0651@9.8465 "(286.07062, 3650.7148)(287.07513, 934.095)" 285.0651@9.8465 FindByFormula + 285.0651 9.8465 285.1696@1.8434999 "(286.1771, 4838.37)(287.175, 1026.955)(288.1756, 286.51)(308.159, 2004.3799)(309.16357, 488.41998)" 285.1696@1.8434999 FindByFormula + 285.1696 1.8434999 287.1846@7.1427503 "(288.19162, 3495.85)(289.1925, 649.99005)(290.1943, 3767.48)(326.1542, 123.41)(310.17422, 2538.2024)(311.1774, 999.4167)(312.173, 1148.33)" 287.1846@7.1427503 FindByFormula + 287.1846 7.1427503 287.1853@1.3192 "(288.1972, 1028.64)(289.1927, 312.07)(310.1761, 3258.825)(311.17725, 892.62)" 287.1853@1.3192 FindByFormula + 287.1853 1.3192 287.1862@3.869:1 "(288.19186, 2104.59)(289.19354, 444.9)(310.1735, 411.53)(311.1781, 42.67)" 287.1862@3.869:1 FindByFormula + 287.1862 3.869 287.2837@11.027667 "(288.29044, 17212.877)(289.2936, 3677.5466)(290.2873, 289.99)(310.2718, 298.63)" 287.2837@11.027667 FindByFormula + 287.2837 11.027667 287.9154@27.679699 "(288.9223, 4204.2866)(289.92572, 288.95297)" 287.9154@27.679699 FindByFormula + 287.9154 27.679699 287.9162@27.101002 "(288.92227, 4473.0605)(289.92548, 335.42197)" 287.9162@27.101002 FindByFormula + 287.9162 27.101002 2879.655@9.503333 "(1441.0029, 8798.261)(1441.5035, 10306.103)(1442.0057, 7055.9634)(1442.5062, 3746.1833)(1443.0067, 1829.6234)(1443.8438, 854.2)" 2879.655@9.503333 FindByFormula + 2879.655 9.503333 288.098@8.959364 "(289.10544, 3687.887)(290.10828, 781.8346)(291.1164, 72.19)" 288.098@8.959364 FindByFormula + 288.098 8.959364 289.1274@1.125 "(290.1368, 2432.2)(291.1318, 671.84)(292.1296, 131.72)(312.11877, 1940.035)(313.11426, 590.475)" 289.1274@1.125 FindByFormula + 289.1274 1.125 28-Glucosylarjunolate 3-[rhamnosyl-(1-3)-glucuronide] "28-Glucosylarjunolate 3-[rhamnosyl-(1-3)-glucuronide] [ C48 H76 O20, db=90.00, tgt=, overall=90.00, CAS ID=214840-33-2, HMP ID=HMDB33580, METLIN ID=89389 ]" 214840-33-2 "(1017.47217, 1360.41)(1017.95355, 347.805)(498.24902, 1601.6001)(498.74725, 806.22)(995.48315, 15866.489)(996.4882, 9340.88)(997.4878, 3551.2432)" 28-Glucosylarjunolate 3-[rhamnosyl-(1-3)-glucuronide] FindByFormula HMDB33580 + 994.4741 9.825667 292.0492@1.9915 "(293.05676, 6047.4)(294.05835, 1019.755)(295.05127, 216.095)" 292.0492@1.9915 FindByFormula + 292.0492 1.9915 292.0567@2.7294998 "(293.06396, 1652.835)(294.06485, 266.575)" 292.0567@2.7294998 FindByFormula + 292.0567 2.7294998 292.0577@2.5939999 "(293.0637, 4278.8564)(294.06473, 697.7233)" 292.0577@2.5939999 FindByFormula + 292.0577 2.5939999 2923.682@9.517 "(1463.0984, 7040.315)(1463.5994, 8129.3447)(1464.1008, 7401.44)(1464.5994, 4553.02)(1465.1162, 2146.2751)(1465.6206, 1061.235)" 2923.682@9.517 FindByFormula + 2923.682 9.517 294.0647@1.0863333 "(295.06998, 57407.59)(296.0731, 6963.4297)(297.06924, 915.3833)" 294.0647@1.0863333 FindByFormula + 294.0647 1.0863333 294.1233@6.865 "(295.13013, 3946.65)(296.13208, 792.71497)(297.1385, 195.625)(333.0842, 66.59)" 294.1233@6.865 FindByFormula + 294.1233 6.865 294.138@10.9845 "(295.14526, 2410.565)(296.14734, 461.615)" 294.138@10.9845 FindByFormula + 294.138 10.9845 294.1622@7.101 "(295.16803, 587.68)(296.17065, 132.435)(297.1675, 72.02)(317.1474, 782.48)(318.1449, 74.92)(319.1371, 108.3)" 294.1622@7.101 FindByFormula + 294.1622 7.101 294.1822@8.688499 "(295.19073, 2850.415)(296.18845, 1209.435)" 294.1822@8.688499 FindByFormula + 294.1822 8.688499 2943.7222@9.760333 "(1470.8519, 916.77997)(1471.3561, 1997.7968)(1471.8594, 1157.3933)(1472.351, 353.62332)" 2943.7222@9.760333 FindByFormula - 2943.7222 9.760333 2943.755@9.736667 "(1472.873, 33586.824)(1473.3724, 84464.35)(1473.87, 53139.098)(1474.3636, 17718.154)(1474.848, 5846.723)(1475.3293, 2736.77)(1491.854, 5524.404)(1492.3447, 4963.0)(1492.8398, 4563.9)" 2943.755@9.736667 FindByFormula + 2943.755 9.736667 2944.0403@9.766 "(1471.0225, 1504.0133)(1471.5244, 1857.1234)(1472.0197, 879.3566)" 2944.0403@9.766 FindByFormula - 2944.0403 9.766 2944.0713@9.7545 "(1473.037, 31960.93)(1473.534, 45113.203)(1474.0317, 21067.977)" 2944.0713@9.7545 FindByFormula + 2944.0713 9.7545 2944.3828@9.765667 "(1471.1885, 1945.61)(1471.6901, 1634.5801)(1472.1898, 573.9067)" 2944.3828@9.765667 FindByFormula - 2944.3828 9.765667 2944.4026@9.7804 "(1473.2073, 47363.055)(1473.7053, 43028.6)(1474.2034, 15453.064)(1474.7115, 8742.813)(1475.1976, 3664.26)(1492.6849, 3992.0942)(1493.1964, 2885.6821)(1493.6879, 4193.5024)(1494.6891, 9495.02)(1504.4277, 2930.51)(1504.1927, 1783.46)(1504.679, 2360.88)(1505.1967, 2169.64)" 2944.4026@9.7804 FindByFormula + 2944.4026 9.7804 2945.0676@9.740749 "(1473.5378, 68359.02)(1474.0378, 32204.225)(1474.5371, 9460.453)" 2945.0676@9.740749 FindByFormula + 2945.0676 9.740749 295.1286@1.1236666 "(296.13412, 2000.0751)(297.1332, 481.6375)(298.13617, 727.31)(318.12262, 12051.932)(319.12582, 2513.585)(320.127, 426.2525)" 295.1286@1.1236666 FindByFormula + 295.1286 1.1236666 2951.397@9.733 "(1476.7043, 40291.016)(1477.2008, 57321.227)(1477.6991, 26982.555)(1478.2004, 9177.75)(1478.6974, 3865.69)" 2951.397@9.733 FindByFormula + 2951.397 9.733 2951.7349@9.733 "(1476.8706, 62013.926)(1477.3687, 55825.21)(1477.865, 21587.44)(1478.362, 6514.76)(1478.8519, 6560.93)" 2951.7349@9.733 FindByFormula + 2951.7349 9.733 296.1495@10.4244995 "(297.1571, 4881.87)(298.15887, 1196.035)" 296.1495@10.4244995 FindByFormula + 296.1495 10.4244995 2967.699@9.5325 "(1484.86, 8542.49)(1485.3645, 11938.75)(1485.8676, 10358.265)(1486.3696, 6019.415)(1486.8672, 3142.4648)(1487.3618, 1245.9299)(1487.866, 670.65497)" 2967.699@9.5325 FindByFormula + 2967.699 9.5325 297.2662@11.782333 "(298.27454, 4594.0967)(299.27502, 1064.2534)" 297.2662@11.782333 FindByFormula + 297.2662 11.782333 2970.3638@9.733 "(1486.1865, 10461.28)(1486.689, 15036.715)(1487.1904, 16206.12)(1487.6897, 13177.1)(1488.1914, 10838.51)(1488.6818, 5627.465)" 2970.3638@9.733 FindByFormula + 2970.3638 9.733 2977.3625@9.7415 "(1489.6875, 7974.79)(1490.1904, 7947.175)(1490.6887, 9750.215)(1491.1901, 8072.565)" 2977.3625@9.7415 FindByFormula + 2977.3625 9.7415 298.1315@10.1675 "(299.13904, 1633.2)(300.14502, 375.875)" 298.1315@10.1675 FindByFormula + 298.1315 10.1675 298.2485@18.973 "(297.241, 897.855)(298.2456, 215.54999)" 298.2485@18.973 FindByFormula - 298.2485 18.973 299.282@10.851334 "(300.2893, 4546.86)(301.292, 864.3433)" 299.282@10.851334 FindByFormula + 299.282 10.851334 299.2822@12.7622 "(300.2891, 5964.359)(301.29214, 1411.7534)(302.29663, 125.729996)(322.2697, 253.72798)" 299.2822@12.7622 FindByFormula + 299.2822 12.7622 "2alpha-methyl-1beta,25-dihydroxyvitamin D3" "2alpha-methyl-1beta,25-dihydroxyvitamin D3 [ C28 H46 O3, db=70.08, tgt=, overall=70.08, Lipid ID=LMST03020351, METLIN ID=42284 ]" "(431.35077, 785.934)(432.3494, 260.2125)(453.3328, 3293.4268)(454.3374, 1275.05)" "2alpha-methyl-1beta,25-dihydroxyvitamin D3" FindByFormula + LMST03020351 430.343 25.579 "2alpha-methyl-1beta,25-dihydroxyvitamin D3 + 25.553" "2alpha-methyl-1beta,25-dihydroxyvitamin D3 [ C28 H46 O3, db=74.72, tgt=, overall=74.72, Lipid ID=LMST03020351, METLIN ID=42284 ]" "(453.33276, 3805.3398)(454.338, 1297.2074)" "2alpha-methyl-1beta,25-dihydroxyvitamin D3 + 25.553" FindByFormula + LMST03020351 452.3276 25.553 2-amino-heptanoic acid "2-amino-heptanoic acid [ C7 H15 N O2, db=85.08, tgt=, overall=85.08, METLIN ID=35934 ]" "(146.11818, 15422.449)(147.11487, 1560.3555)(148.11514, 361.43167)(184.07596, 13028.329)(185.07571, 995.0)(186.07542, 535.3963)(168.10115, 308.835)" 2-amino-heptanoic acid FindByFormula + 145.1106 0.94813335 2-amino-heptanoic acid + 0.93799996 "2-amino-heptanoic acid [ C7 H15 N O2, db=72.26, tgt=, overall=72.26, METLIN ID=35934 ]" "(146.11775, 10383.34)(147.1138, 287.42)" 2-amino-heptanoic acid + 0.93799996 FindByFormula + 145.1105 0.93799996 2-amino-heptanoic acid + 2.6663334 "2-amino-heptanoic acid [ C7 H15 N O2, mfg=72.30, db=72.29, tgt=, overall=72.30, METLIN ID=35934 ]" "(146.11827, 1923.4984)(147.11578, 242.33165)" 2-amino-heptanoic acid + 2.6663334 FindByFormula + 145.1108 2.6663334 2-amino-heptanoic acid + 3.1975 "2-amino-heptanoic acid [ C7 H15 N O2, db=74.25, tgt=, overall=74.25, METLIN ID=35934 ]" "(146.11755, 1195.065)(147.11984, 179.54001)" 2-amino-heptanoic acid + 3.1975 FindByFormula + 145.1112 3.1975 2-amino-heptanoic acid + 3.1975 :1 "2-amino-heptanoic acid [ C7 H15 N O2, db=74.25, tgt=, overall=74.25, METLIN ID=35934 ]" "(146.11755, 1195.065)(147.11984, 179.54001)" 2-amino-heptanoic acid + 3.1975 :1 FindByFormula + 145.1109 3.1975 2-amino-heptanoic acid + 3.4913332 "2-amino-heptanoic acid [ C7 H15 N O2, db=77.13, tgt=, overall=77.13, METLIN ID=35934 ]" "(146.11783, 4227.8003)(147.11586, 236.68333)" 2-amino-heptanoic acid + 3.4913332 FindByFormula + 145.1103 3.4913332 2-Aminomethylpyrimidine "2-Aminomethylpyrimidine [ C5 H7 N3, db=62.61, tgt=, overall=62.61, CAS ID=75985-45-4, METLIN ID=44990 ]" 75985-45-4 "(110.07157, 809.05664)(111.0718, 129.77)" 2-Aminomethylpyrimidine FindByFormula + 109.0626 1.022 "2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one" "2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one [ C26 H36 O5, db=66.27, tgt=, overall=66.27, CAS ID=237407-02-2, HMP ID=HMDB34064, METLIN ID=89690 ]" 237407-02-2 "(429.26373, 2882.4849)(430.2616, 741.815)(431.2492, 73.07)" "2-Angeloyl-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one" FindByFormula HMDB34064 + 428.2556 11.305 2-Butyl-6-heptylpiperidine "2-Butyl-6-heptylpiperidine [ C16 H33 N, db=86.03, tgt=, overall=86.03, METLIN ID=263986 ]" "(240.26817, 21897.332)(241.27145, 4212.895)" 2-Butyl-6-heptylpiperidine FindByFormula + 239.2614 15.2015 2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid "2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid [ C35 H67 N O8 S, db=83.05, tgt=, overall=83.05, Lipid ID=LMSP01080042, METLIN ID=53942 ]" "(684.4456, 4889.29)(685.4505, 2100.4834)(686.445, 524.3433)" 2-carboxy-2-amino-3-O-(13'-methyltetradecanoyl)-4-hydroxy-17-methyloctadec-5-ene-1-sulfonic acid FindByFormula + LMSP01080042 683.4393 11.8376665 2-carboxylic acid derivative of Oxamniquine "2-carboxylic acid derivative of Oxamniquine [ C11 H12 N2 O5, db=83.41, tgt=, overall=83.41, CAS ID=, METLIN ID=1675 ]" "(275.06436, 3377.6538)(276.06842, 464.904)" 2-carboxylic acid derivative of Oxamniquine FindByFormula + 274.0586 7.168 2'-Deoxyinosine "2'-Deoxyinosine [ C10 H12 N4 O4, db=95.95, tgt=, overall=95.95, CAS ID=890-38-0, Lipid ID=, KEGG ID=C05512, HMP ID=HMDB00071, METLIN ID=3383, AGILENTID=29726 ]" 890-38-0 "(571.1138, 109.06)(275.0758, 16300.061)(276.07922, 2167.0964)(277.0798, 456.89465)(297.05566, 188.89429)" 2'-Deoxyinosine FindByFormula HMDB00071 + C05512 274.0685 1.3962778 2-Dodecylbenzenesulfonic acid "2-Dodecylbenzenesulfonic acid [ C18 H30 O3 S, db=79.27, tgt=, overall=79.27, CAS ID=, HMP ID=HMDB31031, METLIN ID=87362 ]" "(325.18298, 3174.0999)(326.18625, 730.25665)(327.1827, 537.99)" 2-Dodecylbenzenesulfonic acid FindByFormula HMDB31031 - 326.1901 20.269001 2-Dodecylbenzenesulfonic acid - 21.046333 "2-Dodecylbenzenesulfonic acid [ C18 H30 O3 S, db=92.08, tgt=, overall=92.08, CAS ID=, HMP ID=HMDB31031, METLIN ID=87362 ]" "(325.183, 5374.4966)(326.18616, 1237.4634)(327.1814, 375.68)" 2-Dodecylbenzenesulfonic acid - 21.046333 FindByFormula HMDB31031 - 326.1907 21.046333 2-Dodecylbenzenesulfonic acid - 21.051287 "2-Dodecylbenzenesulfonic acid [ C18 H30 O3 S, db=89.10, tgt=, overall=89.10, CAS ID=, HMP ID=HMDB31031, METLIN ID=87362 ]" "(325.18307, 4472.9243)(326.18613, 1059.46)(327.18314, 172.67334)" 2-Dodecylbenzenesulfonic acid - 21.051287 FindByFormula HMDB31031 - 326.1906 21.051287 2-Dodecylbenzenesulfonic acid - 21.056374 "2-Dodecylbenzenesulfonic acid [ C18 H30 O3 S, db=89.12, tgt=, overall=89.12, CAS ID=, HMP ID=HMDB31031, METLIN ID=87362 ]" "(325.18304, 3169.2275)(326.18594, 760.70123)(327.1803, 198.28)" 2-Dodecylbenzenesulfonic acid - 21.056374 FindByFormula HMDB31031 - 326.1898 21.056374 2-Ethylisonicotinamide "2-Ethylisonicotinamide [ C8 H10 N2 O, db=85.99, tgt=, overall=85.99, CAS ID=3376-95-2, METLIN ID=2593 ]" 3376-95-2 "(151.0869, 3622.28)(152.0889, 343.16)" 2-Ethylisonicotinamide FindByFormula + 150.0799 15.691 2-glyceryl-PGF2? "2-glyceryl-PGF2? [ C23 H40 O7, db=65.01, tgt=, overall=65.01, Lipid ID=LMFA03010182, METLIN ID=36229 ]" "(451.26703, 3445.276)(452.2727, 1243.512)(453.26935, 853.722)" 2-glyceryl-PGF2? FindByFormula + LMFA03010182 450.2604 13.164999 "2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate" "2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate [ C12 H11 N O4, db=82.75, tgt=, overall=82.75, KEGG ID=C08062, METLIN ID=66796 ]" "(232.06058, 4615.1763)(233.06369, 564.6913)" "2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate" FindByFormula - C08062 233.0672 1.9469334 2-Hydroxybenzaldehyde O-[xylosyl-(1-6)-glucoside] "2-Hydroxybenzaldehyde O-[xylosyl-(1-6)-glucoside] [ C18 H24 O11, db=98.17, tgt=, overall=98.17, CAS ID=14907-56-3, HMP ID=HMDB34157, METLIN ID=89745 ]" 14907-56-3 "(417.1386, 24858.797)(418.14322, 5015.212)(419.14398, 968.5308)" 2-Hydroxybenzaldehyde O-[xylosyl-(1-6)-glucoside] FindByFormula HMDB34157 + 416.1306 7.166642 2-Indanone "2-Indanone [ C9 H8 O, db=85.69, tgt=, overall=85.69, CAS ID=615-13-4, KEGG ID=C07727, METLIN ID=44709 ]" 615-13-4 "(133.06538, 6132.6304)(134.0685, 630.6567)" 2-Indanone FindByFormula + C07727 132.0586 9.747666 2-Methoxy-17a-ethynylestradiol "2-Methoxy-17a-ethynylestradiol [ C21 H26 O3, db=81.72, tgt=, overall=81.72, CAS ID=22415-44-7, METLIN ID=1174 ]" 22415-44-7 "(325.18213, 1881.51)(326.185, 300.145)(327.1824, 93.76)" 2-Methoxy-17a-ethynylestradiol FindByFormula - 326.1894 22.3975 2-Methoxyestrone 3-sulfate "2-Methoxyestrone 3-sulfate [ C19 H24 O6 S, db=66.21, tgt=, overall=66.21, Lipid ID=LMST05020006, KEGG ID=C08358, METLIN ID=43186 ]" "(379.1211, 3065.4668)(380.1229, 723.0433)" 2-Methoxyestrone 3-sulfate FindByFormula - C08358 LMST05020006 380.129 10.342334 2-Methoxyestrone 3-sulfate + 1.1029999 "2-Methoxyestrone 3-sulfate [ C19 H24 O6 S, db=58.30, tgt=, overall=58.30, Lipid ID=LMST05020006, KEGG ID=C08358, METLIN ID=43186 ]" "(403.12012, 942.94)(404.1233, 306.065)" 2-Methoxyestrone 3-sulfate + 1.1029999 FindByFormula + C08358 LMST05020006 402.1129 1.1029999 2-Methyleneglutarate "2-Methyleneglutarate [ C6 H8 O4, db=78.38, tgt=, overall=78.38, CAS ID=, KEGG ID=C02930, METLIN ID=63876 ]" "(289.0945, 195.345)(327.0446, 106.54)(145.05, 9347.64)(146.05174, 935.625)(183.00471, 284.28)(167.03122, 800.15)" 2-Methyleneglutarate FindByFormula + C02930 144.0423 1.03075 2-Methylguanosine "2-Methylguanosine [ C11 H15 N5 O5, mfg=87.71, db=90.69, tgt=, overall=45.34, CAS ID=2140-77-4, HMP ID=HMDB05862, METLIN ID=58332 ]" 2140-77-4 "(320.09744, 15358.283)(321.0972, 2565.047)(322.09894, 365.8948)" 2-Methylguanosine FindByFormula HMDB05862 + 319.0901 1.734862 2-Methylguanosine + 1.6447222 "2-Methylguanosine [ C11 H15 N5 O5, db=96.50, tgt=, overall=96.50, CAS ID=2140-77-4, HMP ID=HMDB05862, METLIN ID=58332 ]" 2140-77-4 "(320.0975, 28573.68)(321.09927, 4146.039)(322.09943, 711.4965)" 2-Methylguanosine + 1.6447222 FindByFormula HMDB05862 + 319.0899 1.6447222 2-Methylguanosine + 1.6486297 "2-Methylguanosine [ C11 H15 N5 O5, db=96.04, tgt=, overall=96.04, CAS ID=2140-77-4, HMP ID=HMDB05862, METLIN ID=58332 ]" 2140-77-4 "(617.20404, 1556.9491)(618.20874, 509.78006)(619.2023, 159.90001)(298.1146, 1797.6282)(299.11722, 308.03067)(300.11725, 97.658005)(336.07166, 8267.32)(337.07404, 1069.9012)(338.07114, 811.4516)(320.0976, 23979.125)(321.0995, 3448.589)(322.0991, 602.93884)" 2-Methylguanosine + 1.6486297 FindByFormula HMDB05862 + 297.1087 1.6486297 2-Methylguanosine + 1.6713201 "2-Methylguanosine [ C11 H15 N5 O5, db=94.29, tgt=, overall=94.29, CAS ID=2140-77-4, HMP ID=HMDB05862, METLIN ID=58332 ]" 2140-77-4 "(282.14203, 3167.67)(283.14514, 728.01337)(320.0978, 22802.72)(321.0994, 3307.8933)(322.10016, 622.5174)" 2-Methylguanosine + 1.6713201 FindByFormula HMDB05862 + 281.1341 1.6713201 2-Methylguanosine + 1.7175939 "2-Methylguanosine [ C11 H15 N5 O5, mfg=92.72, db=92.62, tgt=, overall=92.67, CAS ID=2140-77-4, HMP ID=HMDB05862, METLIN ID=58332 ]" 2140-77-4 "(617.2057, 1031.6525)(618.2099, 570.05005)(619.2003, 198.73)(298.1151, 1290.2845)(299.1162, 199.64845)(300.11984, 66.89333)(336.0714, 5575.0884)(337.0737, 829.48303)(338.07056, 587.5715)(320.09753, 15771.676)(321.0979, 2500.1116)(322.1013, 434.2908)" 2-Methylguanosine + 1.7175939 FindByFormula HMDB05862 + 297.1084 1.7175939 2-O-Galloylgalactaric acid "2-O-Galloylgalactaric acid [ C13 H14 O12, db=48.04, tgt=, overall=48.04, CAS ID=, HMP ID=HMDB36932, METLIN ID=91921 ]" "(385.03632, 975.75574)(386.0381, 372.21286)" 2-O-Galloylgalactaric acid FindByFormula HMDB36932 + 384.029 4.419572 2''-O-Galloylhyperin "2''-O-Galloylhyperin [ C28 H24 O16, mfg=65.69, db=65.78, tgt=, overall=65.74, CAS ID=53209-27-1, Lipid ID=LMPK12112071, KEGG ID=, HMP ID=, METLIN ID=50487, AGILENTID=29361 ]" 53209-27-1 "(617.1114, 4411.3267)(618.1164, 991.8833)(619.1061, 432.95667)" 2''-O-Galloylhyperin FindByFormula + LMPK12112071 616.1025 1.321 2-Phenylethyl beta-D-glucopyranoside "2-Phenylethyl beta-D-glucopyranoside [ C14 H20 O6, db=97.39, tgt=, overall=97.39, CAS ID=18997-54-1, HMP ID=HMDB29819, METLIN ID=86524 ]" 18997-54-1 "(307.11575, 24873.12)(308.1194, 4107.706)(309.12296, 944.17)" 2-Phenylethyl beta-D-glucopyranoside FindByFormula HMDB29819 + 306.1074 7.991251 2-Phenylethyl beta-D-glucopyranoside + 7.9717274 "2-Phenylethyl beta-D-glucopyranoside [ C14 H20 O6, db=79.15, tgt=, overall=79.15, CAS ID=18997-54-1, HMP ID=HMDB29819, METLIN ID=86524 ]" 18997-54-1 "(307.1161, 17858.57)(308.1203, 3285.7593)" 2-Phenylethyl beta-D-glucopyranoside + 7.9717274 FindByFormula HMDB29819 + 306.1087 7.9717274 2-Phenylethyl beta-D-glucopyranoside + 7.98 "2-Phenylethyl beta-D-glucopyranoside [ C14 H20 O6, db=93.68, tgt=, overall=93.68, CAS ID=18997-54-1, HMP ID=HMDB29819, METLIN ID=86524 ]" 18997-54-1 "(307.1162, 22174.475)(308.12012, 3786.5903)(309.12207, 1007.888)" 2-Phenylethyl beta-D-glucopyranoside + 7.98 FindByFormula HMDB29819 + 306.1084 7.98 2-Phenylethyl beta-D-glucopyranoside + 8.400333 "2-Phenylethyl beta-D-glucopyranoside [ C14 H20 O6, db=82.62, tgt=, overall=82.62, CAS ID=18997-54-1, HMP ID=HMDB29819, METLIN ID=86524 ]" 18997-54-1 "(307.1151, 2501.7532)(308.1184, 475.66333)" 2-Phenylethyl beta-D-glucopyranoside + 8.400333 FindByFormula HMDB29819 + 306.1073 8.400333 2-Phenylethyl beta-D-glucopyranoside + 8.408501 "2-Phenylethyl beta-D-glucopyranoside [ C14 H20 O6, db=83.26, tgt=, overall=83.26, CAS ID=18997-54-1, HMP ID=HMDB29819, METLIN ID=86524 ]" 18997-54-1 "(307.11542, 1586.545)(308.11865, 294.16998)" 2-Phenylethyl beta-D-glucopyranoside + 8.408501 FindByFormula HMDB29819 + 306.1077 8.408501 2-Propenyl 2-aminobenzoate "2-Propenyl 2-aminobenzoate [ C10 H11 N O2, db=81.42, tgt=, overall=81.42, CAS ID=7493-63-2, HMP ID=HMDB37693, METLIN ID=92517 ]" 7493-63-2 "(200.06888, 2682.6675)(201.07089, 377.89752)" 2-Propenyl 2-aminobenzoate FindByFormula HMDB37693 + 199.0624 0.89075005 2-Propenyl 2-aminobenzoate + 6.325667 "2-Propenyl 2-aminobenzoate [ C10 H11 N O2, db=59.07, tgt=, overall=59.07, CAS ID=7493-63-2, HMP ID=HMDB37693, METLIN ID=92517 ]" 7493-63-2 "(178.08678, 1571.2599)(179.08717, 363.09668)" 2-Propenyl 2-aminobenzoate + 6.325667 FindByFormula HMDB37693 + 177.0793 6.325667 2-Protocatechoylphloroglucinolcarboxylate "2-Protocatechoylphloroglucinolcarboxylate [ C14 H10 O8, db=76.05, tgt=, overall=76.05, KEGG ID=C04524, METLIN ID=66200 ]" "(307.04532, 193685.14)(308.04782, 26414.828)(309.04468, 19650.186)(310.04825, 2528.946)(311.0628, 196.79)(344.99902, 433.46)(329.02744, 954.25183)" 2-Protocatechoylphloroglucinolcarboxylate FindByFormula + C04524 306.0391 1.2814585 2R-hydroxylauric acid "2R-hydroxylauric acid [ C12 H24 O3, db=83.11, tgt=, overall=83.11, Lipid ID=LMFA01050361, METLIN ID=45824 ]" "(215.16449, 2508.6248)(216.16766, 379.925)" 2R-hydroxylauric acid FindByFormula - LMFA01050361 216.1719 12.22475 2R-hydroxylauric acid - 13.138636 "2R-hydroxylauric acid [ C12 H24 O3, db=83.18, tgt=, overall=83.18, Lipid ID=LMFA01050361, METLIN ID=45824 ]" "(215.16466, 2463.3044)(216.16725, 359.74548)" 2R-hydroxylauric acid - 13.138636 FindByFormula - LMFA01050361 216.1717 13.138636 2-Tetracosanamidoethanesulfonic acid "2-Tetracosanamidoethanesulfonic acid [ C26 H53 N O4 S, db=52.06, tgt=, overall=52.06, CAS ID=807370-75-8, METLIN ID=3736 ]" 807370-75-8 "(498.3569, 5717.8896)(499.35394, 1941.955)(500.3587, 1414.58)" 2-Tetracosanamidoethanesulfonic acid FindByFormula + 497.3506 7.4925 "3-((3R,5S)-3-Butyloctahydroindolizin-5-yl)propan-1-ol" "3-((3R,5S)-3-Butyloctahydroindolizin-5-yl)propan-1-ol [ C15 H29 N O, db=81.83, tgt=, overall=81.83, METLIN ID=263837 ]" "(240.23224, 1973.125)(241.23515, 424.66)" "3-((3R,5S)-3-Butyloctahydroindolizin-5-yl)propan-1-ol" FindByFormula + 239.2251 10.989 "3,12-Dioxochola-1,4-dien-24-oic Acid" "3,12-Dioxochola-1,4-dien-24-oic Acid [ C24 H32 O4, db=62.59, tgt=, overall=62.59, Lipid ID=LMST04010281, METLIN ID=84594 ]" "(385.2356, 1390.025)(386.24078, 516.45)" "3,12-Dioxochola-1,4-dien-24-oic Acid" FindByFormula + LMST04010281 384.2276 13.6385 "3,16-Dideoxymexicanolide-3?-diol" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=98.84, tgt=, overall=98.84, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.23538, 7140.7515)(496.23938, 2197.8047)(497.23993, 453.82846)" "3,16-Dideoxymexicanolide-3?-diol" FindByFormula + 494.229 13.578651 "3,16-Dideoxymexicanolide-3?-diol - 11.516999" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=79.49, tgt=, overall=79.49, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(471.23853, 2444.4802)(472.24197, 722.91504)(473.24197, 398.76334)(474.2409, 46.12)" "3,16-Dideoxymexicanolide-3?-diol - 11.516999" FindByFormula - 472.246 11.516999 "3,16-Dideoxymexicanolide-3?-diol - 11.53125" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=85.28, tgt=, overall=85.28, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(471.23892, 2886.435)(472.24237, 800.0775)(473.2415, 353.0)(474.2422, 63.679996)" "3,16-Dideoxymexicanolide-3?-diol - 11.53125" FindByFormula - 472.2468 11.53125 "3,16-Dideoxymexicanolide-3?-diol - 11.606" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=78.58, tgt=, overall=78.58, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(471.2387, 1942.385)(472.24136, 451.37)(473.2398, 212.07)" "3,16-Dideoxymexicanolide-3?-diol - 11.606" FindByFormula - 472.2462 11.606 "3,16-Dideoxymexicanolide-3?-diol - 12.261285" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=88.30, tgt=, overall=88.30, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(471.2386, 7322.643)(472.24194, 1975.6902)(473.24213, 817.04596)(474.2398, 20.76)" "3,16-Dideoxymexicanolide-3?-diol - 12.261285" FindByFormula - 472.2468 12.261285 "3,16-Dideoxymexicanolide-3?-diol - 12.407857" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=84.86, tgt=, overall=84.86, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(471.23965, 20724.879)(472.2429, 5638.9126)(473.2419, 1832.4844)(474.2438, 1355.71)" "3,16-Dideoxymexicanolide-3?-diol - 12.407857" FindByFormula - 472.2478 12.407857 "3,16-Dideoxymexicanolide-3?-diol - 12.432332" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=97.20, tgt=, overall=97.20, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(471.2395, 4709.8237)(472.24277, 1361.2401)(473.2416, 166.15)" "3,16-Dideoxymexicanolide-3?-diol - 12.432332" FindByFormula - 472.2478 12.432332 "3,16-Dideoxymexicanolide-3?-diol + 12.950334" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=75.49, tgt=, overall=75.49, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.2351, 3077.4734)(496.23755, 1128.68)(497.2438, 626.68)" "3,16-Dideoxymexicanolide-3?-diol + 12.950334" FindByFormula + 494.2281 12.950334 "3,16-Dideoxymexicanolide-3?-diol + 13.1065" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=82.08, tgt=, overall=82.08, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.2357, 5331.674)(496.23877, 1918.0212)(497.23575, 685.2857)" "3,16-Dideoxymexicanolide-3?-diol + 13.1065" FindByFormula + 494.226 13.1065 "3,16-Dideoxymexicanolide-3?-diol + 13.152222" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=90.67, tgt=, overall=90.67, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.23633, 6886.966)(496.23962, 2352.311)(497.239, 661.7125)" "3,16-Dideoxymexicanolide-3?-diol + 13.152222" FindByFormula + 494.2312 13.152222 "3,16-Dideoxymexicanolide-3?-diol + 13.157234" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=88.97, tgt=, overall=88.97, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.23575, 6475.2847)(496.2392, 2282.955)(497.2385, 723.6056)(517.2184, 118.07)" "3,16-Dideoxymexicanolide-3?-diol + 13.157234" FindByFormula + 494.2323 13.157234 "3,16-Dideoxymexicanolide-3?-diol + 13.580909" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=97.96, tgt=, overall=97.96, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.23517, 5964.9146)(496.23953, 1854.2156)(497.2398, 426.98798)" "3,16-Dideoxymexicanolide-3?-diol + 13.580909" FindByFormula + 494.2282 13.580909 "3,16-Dideoxymexicanolide-3?-diol + 13.586001" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=84.26, tgt=, overall=84.26, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.23508, 6439.3696)(496.23962, 2195.4465)(497.2337, 668.53)" "3,16-Dideoxymexicanolide-3?-diol + 13.586001" FindByFormula + 494.2291 13.586001 "3,16-Dideoxymexicanolide-3?-diol + 14.029" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=66.68, tgt=, overall=66.68, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.23462, 2556.875)(496.2412, 948.315)" "3,16-Dideoxymexicanolide-3?-diol + 14.029" FindByFormula + 494.2275 14.029 "3,16-Dideoxymexicanolide-3?-diol + 14.03" "3,16-Dideoxymexicanolide-3?-diol [ C27 H36 O7, db=85.50, tgt=, overall=85.50, CAS ID=124601-65-6, METLIN ID=43636 ]" 124601-65-6 "(495.23483, 3122.2832)(496.24075, 1063.0267)(497.237, 330.34)" "3,16-Dideoxymexicanolide-3?-diol + 14.03" FindByFormula + 494.2279 14.03 "3,3-Bis(4-hydroxyphenyl)pentane" "3,3-Bis(4-hydroxyphenyl)pentane [ C17 H20 O2, db=75.77, tgt=, overall=75.77, KEGG ID=C15206, METLIN ID=70693 ]" "(279.13504, 806.84)(280.13858, 208.29)" "3,3-Bis(4-hydroxyphenyl)pentane" FindByFormula + C15206 278.1277 2.8576667 "3,3'-Bisanigorufone" "3,3'-Bisanigorufone [ C38 H22 O4, db=60.26, tgt=, overall=60.26, CAS ID=, HMP ID=HMDB39472, METLIN ID=94044 ]" "(543.1569, 7136.051)(544.1596, 2016.0962)(545.1575, 933.2912)" "3,3'-Bisanigorufone" FindByFormula HMDB39472 + 542.1503 1.379625 "3,3-Difluoro-5alpha-androstan-17beta-yl acetate" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate [ C21 H32 F2 O2, db=79.87, tgt=, overall=79.87, CAS ID=1827-75-4, KEGG ID=C14477, METLIN ID=70090 ]" 1827-75-4 "(353.23123, 6845.221)(354.23468, 1466.2781)(355.24222, 524.815)" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate" FindByFormula - C14477 354.2399 10.217625 "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 10.136499" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate [ C21 H32 F2 O2, db=77.93, tgt=, overall=77.93, CAS ID=1827-75-4, KEGG ID=C14477, METLIN ID=70090 ]" 1827-75-4 "(353.23096, 11728.735)(354.2356, 2555.775)" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 10.136499" FindByFormula - C14477 354.2392 10.136499 "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 10.136499 :1" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate [ C21 H32 F2 O2, db=77.72, tgt=, overall=77.72, CAS ID=1827-75-4, KEGG ID=C14477, METLIN ID=70090 ]" 1827-75-4 "(353.23102, 11709.34)(354.2356, 2559.865)" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 10.136499 :1" FindByFormula - C14477 354.2389 10.136499 "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 10.516883" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate [ C21 H32 F2 O2, db=89.64, tgt=, overall=89.64, CAS ID=1827-75-4, KEGG ID=C14477, METLIN ID=70090 ]" 1827-75-4 "(353.2315, 3151.867)(354.2351, 750.7646)(355.24078, 122.614)" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 10.516883" FindByFormula - C14477 354.2391 10.516883 "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 11.414499" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate [ C21 H32 F2 O2, db=77.03, tgt=, overall=77.03, CAS ID=1827-75-4, KEGG ID=C14477, METLIN ID=70090 ]" 1827-75-4 "(353.23083, 2953.2349)(354.2352, 775.4)" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 11.414499" FindByFormula - C14477 354.2394 11.414499 "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 11.424666" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate [ C21 H32 F2 O2, db=79.33, tgt=, overall=79.33, CAS ID=1827-75-4, KEGG ID=C14477, METLIN ID=70090 ]" 1827-75-4 "(353.23062, 2496.68)(354.23465, 656.66)" "3,3-Difluoro-5alpha-androstan-17beta-yl acetate - 11.424666" FindByFormula - C14477 354.2391 11.424666 "3',4',5'-Trimethoxycinnamyl alcohol acetate" "3',4',5'-Trimethoxycinnamyl alcohol acetate [ C14 H18 O5, mfg=88.09, db=88.08, tgt=, overall=88.08, CAS ID=87200-84-8, HMP ID=HMDB40891, METLIN ID=95344 ]" 87200-84-8 "(267.123, 2081.71)(268.1272, 443.48)(269.1297, 137.76)(289.1033, 126.25)" "3',4',5'-Trimethoxycinnamyl alcohol acetate" FindByFormula HMDB40891 + 266.117 13.257 "3',4',5'-Trimethoxycinnamyl alcohol acetate + 12.515599" "3',4',5'-Trimethoxycinnamyl alcohol acetate [ C14 H18 O5, mfg=85.41, db=85.40, tgt=, overall=85.41, CAS ID=87200-84-8, HMP ID=HMDB40891, METLIN ID=95344 ]" 87200-84-8 "(267.12274, 1667.946)(268.12808, 350.244)(269.12808, 115.47)(289.10654, 603.89996)" "3',4',5'-Trimethoxycinnamyl alcohol acetate + 12.515599" FindByFormula HMDB40891 + 266.1158 12.515599 "3,4-Dehydrochlorambucil" "3,4-Dehydrochlorambucil [ C14 H17 Cl2 N O2, db=57.17, tgt=, overall=57.17, CAS ID=103658-52-2, METLIN ID=636 ]" 103658-52-2 "(324.05234, 1091.4)(325.05698, 375.96)" "3,4-Dehydrochlorambucil" FindByFormula + 323.0435 1.198 "3,4-Hexahydroxydiphenoylarabinose" "3,4-Hexahydroxydiphenoylarabinose [ C19 H16 O13, db=71.07, tgt=, overall=71.07, CAS ID=19833-16-0, HMP ID=HMDB34113, METLIN ID=89722 ]" 19833-16-0 "(453.0646, 3611.9639)(454.06705, 836.49744)" "3,4-Hexahydroxydiphenoylarabinose" FindByFormula HMDB34113 + 452.0556 1.9528123 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=97.81, tgt=, overall=97.81, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(811.31006, 264.87)(812.3208, 100.985)(795.3331, 466.26627)(796.3374, 306.1)(797.3313, 143.89)(387.18112, 3873.3413)(388.18365, 957.16547)(389.1856, 220.28307)(425.13657, 22487.602)(426.13983, 5529.154)(427.1377, 2548.3516)(428.13882, 510.59845)(429.1309, 147.59)(409.1628, 155310.22)(410.16577, 41852.73)(411.16864, 6901.5)(412.17084, 1003.78503)(413.17163, 155.0425)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol" FindByFormula + LMPK12020216 386.1723 13.122384 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 12.4345" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=99.01, tgt=, overall=99.01, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(387.18066, 25425.121)(388.1842, 6004.2754)(389.18677, 1105.39)(425.13635, 58684.53)(426.1397, 14428.97)(427.13776, 6318.465)(428.1409, 800.48)(409.16275, 426323.75)(410.16605, 100931.56)(411.16833, 18278.225)(412.1722, 1782.31)(413.1705, 186.64)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 12.4345" FindByFormula + LMPK12020216 386.1741 12.4345 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.115666" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=98.11, tgt=, overall=98.11, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(409.16284, 89541.37)(410.16586, 23669.307)(411.16833, 3947.2903)(412.1709, 681.9167)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.115666" FindByFormula + LMPK12020216 408.157 13.115666 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.117167" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=96.82, tgt=, overall=96.82, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(409.1632, 142469.05)(410.16617, 37448.13)(411.1686, 6471.26)(412.1711, 1030.35)(413.1645, 119.84)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.117167" FindByFormula + LMPK12020216 408.158 13.117167 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.119334" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=97.98, tgt=, overall=97.98, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(811.3088, 89.88)(812.3276, 56.83)(795.3377, 312.34)(796.337, 258.7)(797.3233, 173.23)(387.18143, 2525.165)(388.1825, 613.1733)(389.1858, 182.89998)(425.13663, 18281.361)(426.13998, 4365.442)(427.1381, 2209.2717)(428.1381, 510.31396)(409.1629, 83174.33)(410.16583, 21894.848)(411.16837, 3613.2974)(412.17093, 719.5967)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.119334" FindByFormula + LMPK12020216 386.1743 13.119334 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.123134" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=98.13, tgt=, overall=98.13, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(855.2749, 103.04)(409.16272, 158917.8)(410.16568, 42641.566)(411.16824, 7329.5005)(412.17087, 1085.2264)(413.17545, 146.20999)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.123134" FindByFormula + LMPK12020216 408.155 13.123134 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.123401" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=97.70, tgt=, overall=97.70, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(795.332, 275.52)(796.3267, 175.7)(797.3262, 31.86)(387.18106, 2639.436)(388.1819, 619.566)(389.18683, 181.0625)(390.1788, 59.99)(425.13632, 18519.46)(426.1396, 4271.208)(427.13812, 2148.692)(428.13876, 446.48004)(429.1362, 123.08)(409.16278, 114303.19)(410.16577, 31059.375)(411.16827, 5137.708)(412.17117, 887.7425)(413.17172, 146.59666)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.123401" FindByFormula + LMPK12020216 386.173 13.123401 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.124667" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=97.38, tgt=, overall=97.38, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(409.1628, 126536.94)(410.16577, 34660.855)(411.16824, 5778.2485)(412.1713, 848.296)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.124667" FindByFormula + LMPK12020216 408.1562 13.124667 "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.126667" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=97.90, tgt=, overall=97.90, Lipid ID=LMPK12020216, METLIN ID=47432 ]" "(409.16257, 120478.69)(410.1655, 32980.99)(411.168, 5418.0137)(412.17102, 845.98505)(413.1861, 147.26)" "3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 13.126667" FindByFormula + LMPK12020216 408.1552 13.126667 "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol [ C40 H58 O5, db=76.29, tgt=, overall=76.29, CAS ID=181046-82-2, HMP ID=HMDB29654, METLIN ID=86402 ]" 181046-82-2 "(619.4377, 2947.4446)(620.44073, 969.21094)(621.4347, 349.0333)" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol" FindByFormula HMDB29654 + 618.4291 19.314524 "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol + 19.0579" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol [ C40 H58 O5, mfg=72.14, db=72.18, tgt=, overall=72.16, CAS ID=181046-82-2, HMP ID=HMDB29654, METLIN ID=86402 ]" 181046-82-2 "(619.4377, 2031.2058)(620.4402, 765.2261)(621.4353, 407.78802)" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol + 19.0579" FindByFormula HMDB29654 + 618.4309 19.0579 "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol + 19.25025" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol [ C40 H58 O5, db=64.19, tgt=, overall=64.19, CAS ID=181046-82-2, HMP ID=HMDB29654, METLIN ID=86402 ]" 181046-82-2 "(619.43787, 3604.415)(620.44037, 1221.235)" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol + 19.25025" FindByFormula HMDB29654 + 618.4315 19.25025 "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol + 19.3365" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol [ C40 H58 O5, db=81.93, tgt=, overall=81.93, CAS ID=181046-82-2, HMP ID=HMDB29654, METLIN ID=86402 ]" 181046-82-2 "(619.43756, 4697.9443)(620.4402, 1568.1038)(621.4361, 201.364)" "3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol + 19.3365" FindByFormula HMDB29654 + 618.4283 19.3365 "3,9-Dimethyluric acid" "3,9-Dimethyluric acid [ C7 H8 N4 O3, db=85.54, tgt=, overall=85.54, CAS ID=, HMP ID=HMDB59704, METLIN ID=96275 ]" "(195.05171, 4764.78)(196.05428, 408.37)" "3,9-Dimethyluric acid" FindByFormula HMDB59704 - 196.0593 3.9210002 "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, db=97.84, tgt=, overall=97.84, METLIN ID=42917 ]" "(407.27728, 1619.885)(408.27945, 442.93)(409.28198, 59.2)(445.2334, 1286.46)(446.2352, 431.63)(429.26184, 7305.34)(430.26447, 1993.11)(431.2648, 267.13)" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid" FindByFormula + 406.2746 10.7045 "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 10.316167" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, db=64.75, tgt=, overall=64.75, METLIN ID=42917 ]" "(405.26282, 3813.7666)(406.26575, 1082.785)(407.2769, 762.09)" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 10.316167" FindByFormula - 406.2692 10.316167 "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 10.4800005" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, db=75.07, tgt=, overall=75.07, METLIN ID=42917 ]" "(405.26315, 6025.2427)(406.26578, 1625.235)" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 10.4800005" FindByFormula - 406.2694 10.4800005 "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 10.4800005 :1" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, db=75.03, tgt=, overall=75.03, METLIN ID=42917 ]" "(405.2631, 5680.7495)(406.26584, 1532.7534)" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 10.4800005 :1" FindByFormula - 406.2699 10.4800005 "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid + 10.710667" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, db=81.16, tgt=, overall=81.16, METLIN ID=42917 ]" "(407.27774, 1776.3168)(408.281, 599.39996)(429.26172, 8788.094)(430.26465, 2429.52)" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid + 10.710667" FindByFormula + 406.2722 10.710667 "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid + 10.759666" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, db=81.67, tgt=, overall=81.67, METLIN ID=42917 ]" "(429.26144, 6150.1265)(430.26413, 1675.3934)" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid + 10.759666" FindByFormula + 428.2547 10.759666 "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid + 9.726" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid [ C24 H38 O5, db=90.70, tgt=, overall=90.70, METLIN ID=42917 ]" "(407.27695, 3800.725)(408.2844, 1195.19)(409.2759, 154.88)(445.2435, 3463.48)(429.2618, 29433.21)(430.2671, 8422.89)(431.2688, 2310.41)" "3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid + 9.726" FindByFormula + 406.2712 9.726 "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid [ C24 H38 O4, db=67.49, tgt=, overall=67.49, KEGG ID=C15375, METLIN ID=42809 ]" "(819.5135, 311.465)(391.2838, 1775.69)(392.2867, 672.99084)(413.26602, 1452.2065)(414.26932, 394.00003)" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid" FindByFormula + C15375 390.2772 24.404387 "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.023999" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid [ C24 H38 O4, db=65.84, tgt=, overall=65.84, KEGG ID=C15375, METLIN ID=42809 ]" "(391.2837, 4021.5752)(392.28714, 1172.745)(393.2818, 322.62)(429.2343, 866.76)(413.26648, 5264.68)(414.27515, 1567.72)" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.023999" FindByFormula + C15375 390.2755 12.023999 "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.657333" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid [ C24 H38 O4, db=96.59, tgt=, overall=96.59, KEGG ID=C15375, METLIN ID=42809 ]" "(803.5263, 424.64)(391.2839, 11290.163)(392.286, 3165.485)(393.28384, 396.4067)(429.23343, 1468.18)(430.2424, 396.7767)(413.26566, 22715.322)(414.26938, 6330.483)(415.26685, 857.53)" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.657333" FindByFormula + C15375 390.2775 12.657333 "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.6675" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid [ C24 H38 O4, mfg=82.04, db=82.49, tgt=, overall=41.24, KEGG ID=C15375, METLIN ID=42809 ]" "(413.2665, 34955.52)(414.27002, 9492.958)" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.6675" FindByFormula + C15375 412.2587 12.6675 "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.6698" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid [ C24 H38 O4, db=82.03, tgt=, overall=82.03, KEGG ID=C15375, METLIN ID=42809 ]" "(413.26675, 32697.928)(414.27042, 8712.488)" "3?,12?-Dihydroxy-5?-chol-8(14)-en-24-oic Acid + 12.6698" FindByFormula + C15375 412.2588 12.6698 "3?,7?-Diacetoxydeoxodeacetoxydeoxydihydrogedunin" "3?,7?-Diacetoxydeoxodeacetoxydeoxydihydrogedunin [ C30 H40 O7, db=52.26, tgt=, overall=52.26, CAS ID=23638-84-8, METLIN ID=43789 ]" 23638-84-8 "(513.2869, 11105.237)(514.29047, 1526.8267)" "3?,7?-Diacetoxydeoxodeacetoxydeoxydihydrogedunin" FindByFormula + 512.2771 9.043334 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=95.26, tgt=, overall=95.26, METLIN ID=42698 ]" "(407.27957, 4294.4736)(408.2822, 1180.1809)(409.28406, 95.42667)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid" FindByFormula - 408.284 10.1391 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.091399" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=77.03, tgt=, overall=77.03, METLIN ID=42698 ]" "(815.5589, 60.46)(443.2499, 254.66)(407.27847, 4243.759)(408.2816, 1182.046)(409.28006, 404.785)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.091399" FindByFormula - 408.2828 10.091399 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.156" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=92.07, tgt=, overall=92.07, METLIN ID=42698 ]" "(407.27972, 4776.7075)(408.28238, 1313.4088)(409.282, 342.35)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.156" FindByFormula - 408.2849 10.156 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.26325" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=74.97, tgt=, overall=74.97, METLIN ID=42698 ]" "(407.2788, 3538.975)(408.2815, 973.6975)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.26325" FindByFormula - 408.2857 10.26325 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.954" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=77.85, tgt=, overall=77.85, METLIN ID=42698 ]" "(407.2789, 1485.255)(408.2822, 380.205)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 10.954" FindByFormula - 408.288 10.954 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 11.293445" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=89.68, tgt=, overall=89.68, METLIN ID=42698 ]" "(407.27835, 16571.508)(408.2812, 4519.651)(409.28625, 871.2934)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 11.293445" FindByFormula - 408.2849 11.293445 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 11.39" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=74.34, tgt=, overall=74.34, METLIN ID=42698 ]" "(407.27856, 26956.14)(408.28165, 7357.14)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 11.39" FindByFormula - 408.283 11.39 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 9.6108" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=91.46, tgt=, overall=91.46, METLIN ID=42698 ]" "(407.27948, 10535.6)(408.28192, 2760.5679)(409.2745, 27.07)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid - 9.6108" FindByFormula - 408.2901 9.6108 "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid + 11.394" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid [ C24 H40 O5, db=74.76, tgt=, overall=74.76, METLIN ID=42698 ]" "(861.5458, 3592.1748)(862.5476, 2128.48)(863.54376, 829.17)(864.5359, 236.21)(883.5306, 1548.25)(884.5343, 916.48)(885.5313, 333.91)(431.27545, 12008.325)(432.27808, 4081.44)(433.2727, 864.16003)(434.2831, 279.37)(453.258, 3699.15)(454.2619, 1059.9)(455.263, 257.685)" "3?,9?,11?-Trihydroxy-5?-cholan-24-oic Acid + 11.394" FindByFormula + 430.2705 11.394 "3?-Acetoxydeoxyangolensic acid, methyl ester" "3?-Acetoxydeoxyangolensic acid, methyl ester [ C29 H38 O8, db=62.72, tgt=, overall=62.72, CAS ID=, METLIN ID=43795 ]" "(515.2656, 7047.1436)(516.2704, 2724.2642)" "3?-Acetoxydeoxyangolensic acid, methyl ester" FindByFormula + 514.2545 6.8054 3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid "3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid [ C24 H36 O4, db=67.61, tgt=, overall=67.61, METLIN ID=42956 ]" "(389.26807, 3879.73)(390.2706, 1430.31)" 3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid FindByFormula + 388.2618 10.5245 3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid + 10.5245 "3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid [ C24 H36 O4, db=75.55, tgt=, overall=75.55, METLIN ID=42956 ]" "(389.26807, 3879.73)(390.2706, 1430.31)(391.2749, 697.43)" 3?-Hydroxy-12-oxo-5?-chol-8-en-24-oic Acid + 10.5245 FindByFormula + 388.2626 10.5245 3?--Hydroxy-3-deoxyangolensic acid methyl ester "3?--Hydroxy-3-deoxyangolensic acid methyl ester [ C27 H36 O7, db=91.11, tgt=, overall=91.11, CAS ID=30300-36-8, METLIN ID=43680 ]" 30300-36-8 "(471.24036, 4616.4)(472.24365, 1191.9451)(473.2452, 348.29)" 3?--Hydroxy-3-deoxyangolensic acid methyl ester FindByFormula - 472.2474 10.8055 3?--Hydroxy-3-deoxyangolensic acid methyl ester - 10.685666 "3?--Hydroxy-3-deoxyangolensic acid methyl ester [ C27 H36 O7, db=75.83, tgt=, overall=75.83, CAS ID=30300-36-8, METLIN ID=43680 ]" 30300-36-8 "(471.24026, 2493.2)(472.2434, 740.0366)" 3?--Hydroxy-3-deoxyangolensic acid methyl ester - 10.685666 FindByFormula - 472.2475 10.685666 3-[(3-Methylbutyl)nitrosoamino]-2-butanone "3-[(3-Methylbutyl)nitrosoamino]-2-butanone [ C9 H18 N2 O2, db=97.20, tgt=, overall=97.20, CAS ID=71016-15-4, HMP ID=HMDB33553, METLIN ID=89363 ]" 71016-15-4 "(187.14392, 1667.8363)(188.14528, 219.20833)(225.1002, 1916.9033)(226.10455, 455.625)(227.0982, 769.99)(209.12627, 13908.176)(210.128, 1562.9888)(211.13026, 185.84666)" 3-[(3-Methylbutyl)nitrosoamino]-2-butanone FindByFormula HMDB33553 + 186.137 3.151 301.1643@1.8253332 "(641.2838, 1716.76)(302.17307, 7105.69)(303.173, 1406.7233)(324.153, 7139.49)(325.1542, 1634.01)" 301.1643@1.8253332 FindByFormula + 301.1643 1.8253332 301.2008@7.7192497 "(302.20877, 5522.265)(303.21216, 1174.2233)(340.1703, 903.75)(324.1908, 2767.1277)(325.1974, 396.3925)" 301.2008@7.7192497 FindByFormula + 301.2008 7.7192497 301.2984@13.130999 "(302.30487, 3309.229)(303.30774, 699.1359)(304.3064, 103.84713)(324.28415, 120.825)" 301.2984@13.130999 FindByFormula + 301.2984 13.130999 301.2994@13.149667 "(302.30624, 2655.41)(303.3076, 609.76)(304.3064, 63.205)" 301.2994@13.149667 FindByFormula + 301.2994 13.149667 3011.7173@9.540501 "(1506.8713, 4914.4326)(1507.3789, 6805.992)(1507.8774, 5459.6304)(1508.3822, 3564.5576)(1508.8882, 2072.5266)" 3011.7173@9.540501 FindByFormula + 3011.7173 9.540501 302.1627@10.549 "(303.17038, 6820.6333)(304.17444, 1674.6034)(305.1758, 741.65)(325.1518, 1559.07)" 302.1627@10.549 FindByFormula + 302.1627 10.549 302.1659@8.5135 "(605.3223, 242.87)(303.1719, 7348.87)(304.17633, 1785.715)(305.1739, 393.97498)(325.15338, 444.04498)" 302.1659@8.5135 FindByFormula + 302.1659 8.5135 303.2045@8.2300005 "(304.2126, 10966.74)(305.21457, 2127.3625)(306.2096, 145.78)(326.19385, 2809.98)" 303.2045@8.2300005 FindByFormula + 303.2045 8.2300005 304.0792@1.813875 "(305.08655, 8020.83)(306.08554, 679.66003)(307.08417, 340.42624)" 304.0792@1.813875 FindByFormula + 304.0792 1.813875 304.1693@10.01075 "(305.1753, 27324.977)(306.17834, 6329.795)(307.18082, 980.04004)" 304.1693@10.01075 FindByFormula + 304.1693 10.01075 304.1704@8.737499 "(305.1792, 1276.4199)(306.1808, 544.115)" 304.1704@8.737499 FindByFormula + 304.1704 8.737499 304.1784@9.1585 "(305.1844, 1904.69)(306.189, 374.8)(327.16885, 2100.5151)(328.1715, 545.72)(329.1696, 134.57)" 304.1784@9.1585 FindByFormula + 304.1784 9.1585 304.1789@8.9395 "(305.18738, 7510.1)(306.1893, 1657.925)(307.1709, 1091.58)" 304.1789@8.9395 FindByFormula + 304.1789 8.9395 304.1803@8.9395 "(305.1872, 5483.46)(306.18945, 1194.93)(307.1826, 297.31)" 304.1803@8.9395 FindByFormula + 304.1803 8.9395 304.1808@7.5705 "(305.18625, 12036.715)(306.19095, 2180.395)(307.1778, 151.41)" 304.1808@7.5705 FindByFormula + 304.1808 7.5705 304.1811@9.617333 "(305.18594, 5858.1055)(306.18903, 1320.215)(307.19415, 154.04)(327.16843, 19825.748)(328.17273, 3853.2598)" 304.1811@9.617333 FindByFormula + 304.1811 9.617333 3055.7644@9.5285 "(1528.886, 13408.065)(1529.3866, 20545.045)(1529.8907, 16884.74)(1530.3894, 10767.561)(1530.8937, 5646.79)(1531.3971, 3222.6401)(1531.8948, 1208.72)" 3055.7644@9.5285 FindByFormula + 3055.7644 9.5285 306.0805@7.641 "(305.0733, 2790.715)(306.07785, 407.78497)" 306.0805@7.641 FindByFormula - 306.0805 7.641 306.1087@8.40325 "(307.1173, 2484.0898)(308.12054, 397.805)" 306.1087@8.40325 FindByFormula + 306.1087 8.40325 306.1534@8.341249 "(307.16254, 3658.11)(308.1649, 742.76337)(309.174, 368.76)(329.1497, 1966.71)(330.1531, 668.06)" 306.1534@8.341249 FindByFormula + 306.1534 8.341249 306.1599@8.341832 "(307.16653, 3839.9402)(308.16708, 993.35004)(329.14926, 4752.3784)(330.15326, 1044.8817)" 306.1599@8.341832 FindByFormula + 306.1599 8.341832 306.2159@0.9997999 "(307.22342, 7023.3037)(308.2249, 1287.39)(309.22604, 321.034)" 306.2159@0.9997999 FindByFormula + 306.2159 0.9997999 306.2254@0.98800004 "(307.23297, 1210.8301)(308.2305, 282.52)" 306.2254@0.98800004 FindByFormula + 306.2254 0.98800004 308.0774@10.5060005 "(309.0819, 325.11)(347.04034, 3215.4202)(348.04437, 508.355)" 308.0774@10.5060005 FindByFormula + 308.0774 10.5060005 308.1729@8.531401 "(309.1808, 2602.0)(310.18494, 533.0575)(311.1797, 202.64)(347.1363, 996.1)(331.1639, 3949.2117)(332.1649, 961.1221)(333.1634, 181.62001)" 308.1729@8.531401 FindByFormula + 308.1729 8.531401 3086.5325@6.9595003 "(1544.2781, 1436.33)(1544.7734, 3224.62)(1545.2815, 2803.445)(1545.7825, 2084.955)(1546.2693, 1049.655)(1546.7758, 1166.43)(1547.2867, 374.33)" 3086.5325@6.9595003 FindByFormula + 3086.5325 6.9595003 3099.7988@9.55425 "(1550.9006, 7504.96)(1551.4006, 11306.27)(1551.9039, 9882.533)(1552.4048, 6682.17)(1552.9053, 3025.6328)(1553.4022, 1672.8975)(1553.8989, 1060.0966)(1554.4187, 551.985)" 3099.7988@9.55425 FindByFormula + 3099.7988 9.55425 310.0241@1.1010001 "(311.03192, 4191.08)(312.0376, 626.125)" 310.0241@1.1010001 FindByFormula + 310.0241 1.1010001 310.1171@2.082 "(311.12515, 2614.555)(312.12708, 459.49)(333.1059, 1008.375)" 310.1171@2.082 FindByFormula + 310.1171 2.082 310.177@12.392667 "(311.181, 1061.12)(312.1885, 384.61)(349.1327, 179.63)(333.16797, 1134.205)(334.1722, 352.605)" 310.177@12.392667 FindByFormula + 310.177 12.392667 310.2619@9.945499 "(333.25098, 1481.8301)(334.25485, 641.63)" 310.2619@9.945499 FindByFormula + 310.2619 9.945499 3101.7842@9.548667 "(1551.902, 11675.813)(1552.4044, 7791.14)(1552.9008, 3681.6602)(1553.4014, 2749.1099)" 3101.7842@9.548667 FindByFormula + 3101.7842 9.548667 311.1233@2.874632 "(312.13464, 597.69104)(313.13245, 178.89749)(350.08658, 3027.9917)(351.08917, 530.8931)(352.0841, 407.75)(334.11328, 8686.528)(335.1146, 1387.4832)" 311.1233@2.874632 FindByFormula + 311.1233 2.874632 311.3558@26.830168 "(312.36243, 3880.5332)(313.36566, 837.9817)" 311.3558@26.830168 FindByFormula + 311.3558 26.830168 312.3589@17.166 "(313.3655, 2478.6667)(314.36646, 311.68167)" 312.3589@17.166 FindByFormula + 312.3589 17.166 313.2002@5.4065 "(314.2081, 903.625)(315.2071, 183.42499)" 313.2002@5.4065 FindByFormula + 313.2002 5.4065 314.1232@10.142556 "(313.1177, 1679.692)(314.12067, 333.08502)" 314.1232@10.142556 FindByFormula - 314.1232 10.142556 314.1276@10.2375 "(315.13535, 3436.3252)(316.13715, 844.02)(337.117, 1010.555)" 314.1276@10.2375 FindByFormula + 314.1276 10.2375 3143.8127@9.564667 "(1572.9115, 8930.844)(1573.4121, 13764.56)(1573.9144, 11774.843)(1574.417, 7986.3804)(1574.9135, 4459.7334)(1575.4159, 1782.18)(1575.9235, 961.6333)" 3143.8127@9.564667 FindByFormula + 3143.8127 9.564667 315.1816@1.012 "(316.1915, 455.11)(317.1827, 191.72)(338.17136, 179.47)(339.16284, 35.345)" 315.1816@1.012 FindByFormula + 315.1816 1.012 315.2154@6.946 "(316.2207, 2441.97)(317.2202, 700.43)(318.2262, 146.3)(338.20505, 867.975)(339.20294, 254.63501)" 315.2154@6.946 FindByFormula + 315.2154 6.946 316.2025@11.8237505 "(315.195, 4035.5615)(316.19867, 941.5613)" 316.2025@11.8237505 FindByFormula - 316.2025 11.8237505 316.2032@11.245334 "(317.21066, 2643.55)(318.21695, 697.48334)" 316.2032@11.245334 FindByFormula + 316.2032 11.245334 316.2047@9.973499 "(317.21155, 2657.6099)(318.21185, 841.245)" 316.2047@9.973499 FindByFormula + 316.2047 9.973499 316.2063@11.298 "(317.2118, 3190.865)(318.216, 862.3)" 316.2063@11.298 FindByFormula + 316.2063 11.298 316.2064@10.454667 "(317.21188, 4359.1367)(318.21402, 1042.0233)(319.213, 200.15999)" 316.2064@10.454667 FindByFormula + 316.2064 10.454667 317.0041@2.028 "(635.0165, 535.96)(318.01337, 1145.1034)(319.01074, 487.1367)(320.0092, 327.73334)" 317.0041@2.028 FindByFormula + 317.0041 2.028 317.1987@7.183182 "(316.19052, 3145.5774)(317.193, 543.1473)" 317.1987@7.183182 FindByFormula - 317.1987 7.183182 318.1279@6.97875 "(659.24475, 193.84999)(660.2471, 59.16)(319.13815, 2167.335)(320.1419, 333.53)(321.13217, 361.51248)(341.11945, 1556.395)(342.1203, 331.11)" 318.1279@6.97875 FindByFormula + 318.1279 6.97875 318.151@13.6970005 "(319.15973, 2190.19)(320.1599, 676.11)" 318.151@13.6970005 FindByFormula + 318.151 13.6970005 318.1577@9.0459175 "(637.3331, 337.375)(638.3189, 232.86)(639.346, 291.89)(659.30817, 219.08998)(319.16547, 2943.832)(320.16748, 675.8323)(357.11758, 872.95166)(341.14804, 4967.22)(342.15213, 1204.9963)" 318.1577@9.0459175 FindByFormula + 318.1577 9.0459175 318.159@9.06175 "(637.3099, 8926.65)(638.3095, 4129.53)(319.16504, 2897.9766)(320.16568, 742.50336)(357.1183, 863.41)(341.1478, 8030.607)(342.1511, 1989.8134)" 318.159@9.06175 FindByFormula + 318.159 9.06175 318.1592@9.113501 "(317.1507, 1514.415)(318.1536, 321.7625)" 318.1592@9.113501 FindByFormula - 318.1592 9.113501 318.2166@15.404999 "(319.2222, 1379.9266)(320.22534, 223.36499)(321.20996, 465.09497)(341.20624, 1767.2251)(342.21262, 370.84497)" 318.2166@15.404999 FindByFormula + 318.2166 15.404999 3182.8782@9.5529995 "(1592.4475, 3549.96)(1592.9503, 5084.8047)(1593.449, 4973.785)(1593.9485, 3144.4248)(1594.4536, 1738.875)" 3182.8782@9.5529995 FindByFormula + 3182.8782 9.5529995 3189.8433@9.5585 "(1595.928, 10761.005)(1596.4272, 7370.4746)(1596.936, 3461.775)(1597.438, 1911.095)" 3189.8433@9.5585 FindByFormula + 3189.8433 9.5585 319.0753@10.5130005 "(160.5463, 1953.06)(161.04155, 289.125)(320.08258, 2172.06)(321.08246, 453.38998)" 319.0753@10.5130005 FindByFormula + 319.0753 10.5130005 319.2851@10.127001 "(320.2948, 1683.6675)(321.29675, 312.08252)(322.30493, 95.13999)" 319.2851@10.127001 FindByFormula + 319.2851 10.127001 321.0669@1.2120001 "(320.0621, 2252.866)(321.06445, 314.93802)" 321.0669@1.2120001 FindByFormula - 321.0669 1.2120001 322.1165@1.258 "(323.125, 8067.453)(324.12582, 1225.93)(325.1173, 550.51)(345.1033, 588.58)" 322.1165@1.258 FindByFormula + 322.1165 1.258 322.1898@8.943143 "(323.1945, 2145.9832)(324.19727, 461.94998)(345.1785, 5257.0347)(346.18063, 1196.4972)" 322.1898@8.943143 FindByFormula + 322.1898 8.943143 322.1937@8.814 "(667.3774, 426.22)(323.19678, 5272.43)(324.199, 1106.28)(325.19763, 453.45502)(345.1795, 20378.27)(346.18298, 4276.32)(347.1837, 775.8167)" 322.1937@8.814 FindByFormula + 322.1937 8.814 3231.8716@9.575999 "(1616.9381, 10531.057)(1617.441, 16445.92)(1617.9388, 14758.063)(1618.441, 9641.12)(1618.9423, 5204.3735)(1619.4506, 2819.67)(1619.9445, 1491.315)(1620.4471, 351.47)" 3231.8716@9.575999 FindByFormula + 3231.8716 9.575999 324.168@8.158333 "(325.1771, 255.52)(363.13275, 917.91003)(347.15958, 6024.4272)(348.16312, 1400.2933)" 324.168@8.158333 FindByFormula + 324.168 8.158333 3247.782@11.562333 "(1624.8971, 2997.1633)(1625.3973, 3693.7432)(1625.8922, 2695.93)" 3247.782@11.562333 FindByFormula + 3247.782 11.562333 3247.79@11.686001 "(1624.9045, 2821.385)(1625.4003, 3936.7)(1625.8926, 2106.065)" 3247.79@11.686001 FindByFormula + 3247.79 11.686001 325.1408@1.8032 "(326.14764, 6269.424)(327.15204, 1103.908)(328.1502, 209.576)(348.12726, 781.495)" 325.1408@1.8032 FindByFormula + 325.1408 1.8032 325.1984@6.882 "(326.20734, 3851.7698)(327.2095, 680.8733)" 325.1984@6.882 FindByFormula + 325.1984 6.882 326.1892@22.025799 "(325.18323, 2204.512)(326.1862, 465.098)(327.18433, 160.925)" 326.1892@22.025799 FindByFormula - 326.1892 22.025799 326.1901@22.00475 "(325.18256, 3352.1074)(326.18555, 645.89)(327.18298, 280.02)" 326.1901@22.00475 FindByFormula - 326.1901 22.00475 326.1904@20.958906 "(325.18298, 2818.73)(326.18607, 629.30725)(327.1797, 213.61)" 326.1904@20.958906 FindByFormula - 326.1904 20.958906 326.1957@7.2062225 "(691.3479, 2826.86)(327.1988, 603.4129)(365.15723, 1203.9342)(366.15976, 285.23428)(349.18335, 20747.354)(350.18866, 3408.2446)(351.1905, 847.5525)" 326.1957@7.2062225 FindByFormula + 326.1957 7.2062225 327.2404@10.347667 "(328.248, 2800.2634)(329.25424, 577.8934)(350.2304, 825.4)" 327.2404@10.347667 FindByFormula + 327.2404 10.347667 327.2774@9.818 "(328.285, 2205.505)(329.28754, 740.02)(350.2632, 487.99)" 327.2774@9.818 FindByFormula + 327.2774 9.818 327.8903@26.9665 "(328.89832, 3142.3774)(329.89764, 816.345)(330.8965, 860.8524)" 327.8903@26.9665 FindByFormula + 327.8903 26.9665 3275.8748@9.598 "(1638.9506, 8092.182)(1639.4518, 13064.398)(1639.9529, 12314.586)(1640.4539, 8188.888)(1640.9564, 4297.2417)(1641.4541, 1831.726)(1641.964, 892.7066)(1642.4498, 713.75)" 3275.8748@9.598 FindByFormula + 3275.8748 9.598 328.2396@20.1175 "(329.24664, 6162.055)(330.25037, 1710.51)(331.25348, 200.72)(351.2255, 2223.05)(352.22586, 711.72)(353.2199, 143.875)" 328.2396@20.1175 FindByFormula + 328.2396 20.1175 329.1984@4.129667 "(328.1889, 2045.9166)(329.18945, 463.77332)" 329.1984@4.129667 FindByFormula - 329.1984 4.129667 329.2334@7.5505 "(330.24023, 3308.9302)(331.24133, 882.575)" 329.2334@7.5505 FindByFormula + 329.2334 7.5505 331.1744@4.618 "(332.18207, 719.11)(333.18915, 185.18)" 331.1744@4.618 FindByFormula + 331.1744 4.618 331.1841@1.095 "(332.19086, 1673.8049)(333.18954, 617.52)" 331.1841@1.095 FindByFormula + 331.1841 1.095 331.3086@10.96725 "(332.3152, 1221.3625)(333.31992, 390.065)" 331.3086@10.96725 FindByFormula + 331.3086 10.96725 3319.896@9.60425 "(1660.9642, 10350.867)(1661.4633, 16233.718)(1661.9642, 15116.028)(1662.4668, 9931.917)(1662.9644, 5736.7173)(1663.4717, 3337.41)(1663.9728, 1070.4532)(1664.464, 1139.53)" 3319.896@9.60425 FindByFormula + 3319.896 9.60425 332.242@9.925 "(333.2496, 2437.3574)(334.25986, 746.265)" 332.242@9.925 FindByFormula + 332.242 9.925 333.2307@9.966332 "(334.2389, 15200.609)(335.23926, 3941.22)(336.2432, 670.64667)(372.19385, 531.2167)(356.21906, 8002.2305)(357.22055, 1904.52)" 333.2307@9.966332 FindByFormula + 333.2307 9.966332 333.2316@9.9539995 "(334.23962, 12356.164)(335.2375, 3305.3325)(336.2423, 627.5375)(372.19406, 502.33667)(356.22055, 12061.19)(357.22348, 2481.0635)" 333.2316@9.9539995 FindByFormula + 333.2316 9.9539995 333.2326@9.0065 "(334.23965, 7092.035)(335.2393, 1863.41)(336.2468, 306.22)" 333.2326@9.0065 FindByFormula + 333.2326 9.0065 333.2692@9.943 "(334.27353, 10636.843)(335.27695, 2628.0667)(336.2773, 498.18335)" 333.2692@9.943 FindByFormula + 333.2692 9.943 334.2138@11.124 "(335.22, 1440.5634)(336.22678, 415.1)" 334.2138@11.124 FindByFormula + 334.2138 11.124 334.2148@10.495723 "(333.20602, 3587.1084)(334.2091, 783.24554)(335.21848, 163.35834)" 334.2148@10.495723 FindByFormula - 334.2148 10.495723 335.0637@1.6775789 "(336.07166, 8658.169)(337.07452, 1186.1737)(338.07138, 773.25104)" 335.0637@1.6775789 FindByFormula + 335.0637 1.6775789 335.2169@9.497 "(336.22583, 1279.8501)(337.2225, 462.72)" 335.2169@9.497 FindByFormula + 335.2169 9.497 335.2398@9.962999 "(336.248, 1113.39)(337.2395, 474.345)" 335.2398@9.962999 FindByFormula + 335.2398 9.962999 336.2301@12.19925 "(335.22156, 2364.4824)(336.22464, 531.1325)(337.22864, 87.7475)" 336.2301@12.19925 FindByFormula - 336.2301 12.19925 337.0679@1.0131667 "(338.07773, 1956.4879)(339.07623, 282.076)(340.06946, 257.81)(376.03174, 4131.204)(377.03033, 712.505)(378.02933, 633.82)(360.0573, 7570.995)(361.05725, 885.37744)(362.0578, 242.18999)" 337.0679@1.0131667 FindByFormula + 337.0679 1.0131667 338.1152@8.689 "(339.1219, 3078.8901)(340.12344, 835.5)(361.1042, 700.94)" 338.1152@8.689 FindByFormula + 338.1152 8.689 340.2058@22.836836 "(339.19888, 1545.0316)(340.20172, 370.54834)(341.1986, 160.91832)" 340.2058@22.836836 FindByFormula - 340.2058 22.836836 340.2623@14.909667 "(341.2695, 1502.9332)(342.27274, 478.31998)(363.25003, 1272.85)(364.24698, 315.35666)" 340.2623@14.909667 FindByFormula + 340.2623 14.909667 341.2342@7.8361998 "(683.4709, 236.93)(342.24094, 6029.8374)(343.24048, 1295.482)(344.2541, 107.84)(380.1911, 463.71)(364.2207, 3287.4734)(365.22485, 1326.765)(366.223, 321.21)" 341.2342@7.8361998 FindByFormula + 341.2342 7.8361998 341.2345@1.6635001 "(683.4797, 1349.49)(684.4828, 502.2)(705.4613, 951.65)(706.44714, 452.74)(342.2433, 631.96)" 341.2345@1.6635001 FindByFormula + 341.2345 1.6635001 341.2571@10.9775 "(342.26425, 19979.04)(343.2723, 4076.8599)(344.2652, 439.92)(364.2471, 1379.35)" 341.2571@10.9775 FindByFormula + 341.2571 10.9775 342.1886@20.475666 "(343.1954, 7307.3696)(344.1984, 1643.57)(345.20126, 411.42)" 342.1886@20.475666 FindByFormula + 342.1886 20.475666 342.2165@15.7155 "(343.22083, 1859.935)(344.2242, 706.0433)(365.20557, 3407.7014)(366.20718, 837.45825)" 342.2165@15.7155 FindByFormula + 342.2165 15.7155 343.8677@27.4784 "(344.8755, 19642.51)(345.87796, 1262.8939)(346.87454, 1127.76)" 343.8677@27.4784 FindByFormula + 343.8677 27.4784 344.0134@1.5595 "(345.02222, 2844.525)(346.0266, 701.015)(347.0141, 381.065)" 344.0134@1.5595 FindByFormula + 344.0134 1.5595 344.0351@7.8157506 "(687.05884, 678.8838)(688.06696, 256.325)(343.02798, 19802.514)(344.03104, 2080.9456)(345.03287, 437.58075)" 344.0351@7.8157506 FindByFormula - 344.0351 7.8157506 344.1696@8.440001 "(345.17996, 2068.48)(346.17545, 617.91504)(347.182, 98.75)" 344.1696@8.440001 FindByFormula + 344.1696 8.440001 345.19@7.2798004 "(346.19864, 2885.802)(347.20193, 868.0721)" 345.19@7.2798004 FindByFormula + 345.19 7.2798004 345.2295@7.7745 "(344.22247, 1649.5375)(345.22537, 301.7925)" 345.2295@7.7745 FindByFormula - 345.2295 7.7745 346.1881@2.4099998 "(345.1812, 1642.635)(346.18298, 313.20502)" 346.1881@2.4099998 FindByFormula - 346.1881 2.4099998 346.2478@12.645 "(347.2547, 3277.92)(348.25323, 557.315)" 346.2478@12.645 FindByFormula + 346.2478 12.645 346.249@11.0275 "(347.25693, 2764.2603)(348.25952, 737.47)" 346.249@11.0275 FindByFormula + 346.249 11.0275 349.0783@2.8701425 "(350.08685, 3346.0828)(351.09088, 653.7772)(352.0854, 382.31284)" 349.0783@2.8701425 FindByFormula + 349.0783 2.8701425 349.8863@1.5 "(350.89334, 2143.855)(351.89923, 131.005)" 349.8863@1.5 FindByFormula + 349.8863 1.5 350.1108@1.2014999 "(351.12094, 1452.6101)(352.1235, 479.71997)(389.0702, 345.09)(373.10266, 1521.31)(374.10126, 749.195)" 350.1108@1.2014999 FindByFormula + 350.1108 1.2014999 350.1823@8.6995 "(351.19232, 2684.1948)(352.193, 755.22)(373.1725, 20449.371)(374.17578, 4864.65)(375.1738, 899.88)" 350.1823@8.6995 FindByFormula + 350.1823 8.6995 350.2055@10.886749 "(351.2155, 1397.8501)(352.2187, 268.68)(373.19702, 3669.843)(374.20102, 993.0667)" 350.2055@10.886749 FindByFormula + 350.2055 10.886749 350.2083@10.0705 "(349.20105, 831.635)(350.2039, 190.185)" 350.2083@10.0705 FindByFormula - 350.2083 10.0705 350.2232@7.4360003 "(701.4499, 3140.1565)(702.451, 1463.6333)(723.4487, 645.1)(351.23126, 1992.1951)" 350.2232@7.4360003 FindByFormula + 350.2232 7.4360003 350.2414@1.0985 "(351.24786, 2089.645)(352.24954, 508.47)" 350.2414@1.0985 FindByFormula + 350.2414 1.0985 351.1798@6.6825 "(352.1861, 1282.435)(353.18567, 360.795)" 351.1798@6.6825 FindByFormula + 351.1798 6.6825 352.2348@9.695499 "(353.24567, 3897.8198)(354.2495, 1579.5901)" 352.2348@9.695499 FindByFormula + 352.2348 9.695499 353.0646@9.070499 "(352.05566, 7517.24)(353.05823, 1489.41)(354.0538, 499.995)" 353.0646@9.070499 FindByFormula - 353.0646 9.070499 354.2545@12.689 "(355.26306, 2428.3733)(356.2654, 770.09326)" 354.2545@12.689 FindByFormula + 354.2545 12.689 354.256@9.642333 "(355.26367, 9883.437)(356.26706, 2997.4531)(357.26657, 468.37997)" 354.256@9.642333 FindByFormula + 354.256 9.642333 355.2137@9.960667 "(356.21997, 2884.3381)(357.22055, 871.4367)" 355.2137@9.960667 FindByFormula + 355.2137 9.960667 356.1971@12.665857 "(357.2028, 8186.1284)(358.206, 1947.6942)(359.2085, 335.01)(379.184, 897.444)(380.1818, 166.59666)" 356.1971@12.665857 FindByFormula + 356.1971 12.665857 356.1976@10.289 "(357.2052, 6712.6304)(358.21118, 1227.6549)" 356.1976@10.289 FindByFormula + 356.1976 10.289 356.2418@1.2344999 "(357.249, 46906.625)(358.25177, 9915.6)(359.2474, 1081.88)(395.2043, 1091.41)(379.23, 3924.1)(380.2308, 833.8)" 356.2418@1.2344999 FindByFormula + 356.2418 1.2344999 357.1943@8.322599 "(358.20108, 6266.2764)(359.204, 1876.6301)(360.2134, 556.85)(380.1862, 181.04)" 357.1943@8.322599 FindByFormula + 357.1943 8.322599 357.2511@9.925111 "(358.25934, 5177.041)(359.259, 1232.9199)(360.26276, 205.42334)(380.24127, 830.41)(381.2368, 398.86)" 357.2511@9.925111 FindByFormula + 357.2511 9.925111 358.1637@10.125 "(359.17114, 3214.7)(360.1737, 713.005)" 358.1637@10.125 FindByFormula + 358.1637 10.125 358.2101@1.115 "(359.21637, 990.70996)(360.2236, 209.16)(381.2036, 141.65)" 358.2101@1.115 FindByFormula + 358.2101 1.115 358.2209@7.1940002 "(359.22723, 499.745)(360.22675, 198.56)(381.2095, 1112.96)" 358.2209@7.1940002 FindByFormula + 358.2209 7.1940002 358.2227@7.883 "(357.21643, 643.275)(358.21484, 160.5)" 358.2227@7.883 FindByFormula - 358.2227 7.883 359.2053@7.759 "(360.21252, 4962.825)(361.2196, 483.39)(362.20953, 2651.2202)" 359.2053@7.759 FindByFormula + 359.2053 7.759 359.2057@7.1825 "(360.21198, 6021.4053)(361.2161, 1281.085)" 359.2057@7.1825 FindByFormula + 359.2057 7.1825 "35-aminobacteriohopane-32,33,34-triol" "35-aminobacteriohopane-32,33,34-triol [ C35 H63 N O3, db=89.41, tgt=, overall=89.41, Lipid ID=LMPR04000005, METLIN ID=53865 ]" "(546.4873, 2201.1602)(547.4906, 959.3)(548.49225, 333.87668)" "35-aminobacteriohopane-32,33,34-triol" FindByFormula + LMPR04000005 545.4786 19.4226 "35-aminobacteriohopane-32,33,34-triol + 19.367601" "35-aminobacteriohopane-32,33,34-triol [ C35 H63 N O3, db=95.24, tgt=, overall=95.24, Lipid ID=LMPR04000005, METLIN ID=53865 ]" "(546.4877, 2398.468)(547.4912, 1053.0)(548.49243, 252.88)" "35-aminobacteriohopane-32,33,34-triol + 19.367601" FindByFormula + LMPR04000005 545.4795 19.367601 35S-Methylokadaic acid 7-hexadecanoate "35S-Methylokadaic acid 7-hexadecanoate [ C61 H100 O14, db=88.23, tgt=, overall=88.23, CAS ID=, HMP ID=HMDB30443, METLIN ID=86982 ]" "(1057.7192, 10020.925)(1058.7251, 5824.145)(1059.7178, 2297.645)(1060.716, 799.73)" 35S-Methylokadaic acid 7-hexadecanoate FindByFormula HMDB30443 + 1056.7115 22.6495 360.2267@12.314501 "(361.23404, 3604.37)(362.2335, 1000.815)(363.2399, 185.775)(383.2152, 341.45)" 360.2267@12.314501 FindByFormula + 360.2267 12.314501 360.228@16.233713 "(361.23477, 1858.8502)(362.2387, 496.90005)" 360.228@16.233713 FindByFormula + 360.228 16.233713 361.0072@0.98200005 "(362.01337, 970.325)(363.0125, 234.06)(364.0155, 267.245)(399.9717, 1083.7)(383.99893, 1531.4701)(384.99268, 404.45004)" 361.0072@0.98200005 FindByFormula + 361.0072 0.98200005 361.0772@1.245 "(360.07028, 3130.1782)(361.0734, 456.8786)" 361.0772@1.245 FindByFormula - 361.0772 1.245 362.0637@0.965 "(363.07156, 22610.256)(364.07242, 3049.1326)" 362.0637@0.965 FindByFormula + 362.0637 0.965 362.149@12.935 "(363.1571, 1740.6832)(364.15726, 536.69336)" 362.149@12.935 FindByFormula + 362.149 12.935 362.1572@7.288 "(363.16275, 2398.65)(364.17206, 580.1)(385.1467, 3439.95)(386.1499, 776.44)" 362.1572@7.288 FindByFormula + 362.1572 7.288 362.1713@22.027 "(747.3339, 564.70996)(748.3389, 366.60336)(363.1789, 297.15)" 362.1713@22.027 FindByFormula + 362.1713 22.027 362.2122@9.104333 "(725.4333, 325.22)(363.21704, 1718.9434)(364.21915, 617.84)" 362.2122@9.104333 FindByFormula + 362.2122 9.104333 362.2455@9.9926 "(363.2508, 1938.2458)(364.2547, 759.306)" 362.2455@9.9926 FindByFormula + 362.2455 9.9926 363.0595@1.209 "(364.06622, 2195.91)(365.07587, 652.845)" 363.0595@1.209 FindByFormula + 363.0595 1.209 363.1489@1.2340001 "(364.1562, 1956.2)(365.1496, 419.2)(402.1112, 1309.4349)(403.1161, 504.625)(386.13782, 797.525)(387.1401, 329.225)" 363.1489@1.2340001 FindByFormula + 363.1489 1.2340001 364.1986@15.71575 "(365.20547, 3156.9897)(366.20712, 806.91504)" 364.1986@15.71575 FindByFormula + 364.1986 15.71575 364.271@10.993668 "(365.27798, 5507.01)(366.2797, 1212.7233)(367.27954, 325.56665)" 364.271@10.993668 FindByFormula + 364.271 10.993668 365.2547@11.634715 "(366.26096, 4505.5215)(367.26285, 1114.0801)" 365.2547@11.634715 FindByFormula + 365.2547 11.634715 365.3313@14.737666 "(366.33804, 6018.547)(367.3403, 1460.5034)" 365.3313@14.737666 FindByFormula + 365.3313 14.737666 367.1824@10.691 "(368.18814, 4320.7754)(369.19574, 1121.73)(370.19025, 364.03003)" 367.1824@10.691 FindByFormula + 367.1824 10.691 367.2731@11.554199 "(368.279, 8959.536)(369.28217, 2223.3398)(370.28186, 439.78552)(390.261, 1413.7017)(391.26675, 317.765)" 367.2731@11.554199 FindByFormula + 367.2731 11.554199 367.3447@15.3515 "(368.3519, 2062.1099)(369.35455, 643.83496)" 367.3447@15.3515 FindByFormula + 367.3447 15.3515 368.1885@10.171 "(369.1987, 1525.8801)(370.19666, 443.02502)" 368.1885@10.171 FindByFormula + 368.1885 10.171 368.2187@9.007333 "(369.22574, 3305.3132)(370.22812, 904.13007)(391.2042, 85.03)" 368.2187@9.007333 FindByFormula + 368.2187 9.007333 368.3438@19.497667 "(369.35123, 1901.7266)(370.3555, 771.64667)(371.3571, 78.86)" 368.3438@19.497667 FindByFormula + 368.3438 19.497667 368.3443@20.460669 "(369.3506, 1609.1699)(370.35446, 575.36334)(371.3516, 176.52)" 368.3443@20.460669 FindByFormula + 368.3443 20.460669 369.0438@1.0028 "(370.05225, 2252.1575)(371.05066, 396.8425)(408.01114, 2660.7998)(409.00204, 1036.115)(410.00195, 476.78247)(392.03522, 1772.9619)" 369.0438@1.0028 FindByFormula + 369.0438 1.0028 369.2812@12.2406 "(370.29306, 15650.023)(371.29565, 4131.1025)(372.2954, 172.89)(392.27512, 999.95)(393.2762, 533.15)" 369.2812@12.2406 FindByFormula + 369.2812 12.2406 370.1547@22.012749 "(371.16272, 9183.475)(372.16638, 1932.8923)(373.1669, 749.12256)" 370.1547@22.012749 FindByFormula + 370.1547 22.012749 370.1548@22.007666 "(371.16263, 7562.1763)(372.16617, 1702.1832)(373.1694, 731.725)" 370.1548@22.007666 FindByFormula + 370.1548 22.007666 370.1672@8.908363 "(369.1568, 1988.8063)(370.15985, 439.56818)" 370.1672@8.908363 FindByFormula - 370.1672 8.908363 370.1798@22.949629 "(369.17145, 3662.3142)(370.17395, 1134.4744)(371.17374, 124.130005)" 370.1798@22.949629 FindByFormula - 370.1798 22.949629 370.2201@7.408334 "(371.2273, 771.99335)(372.2221, 116.895)(409.1859, 2247.6216)(410.18637, 423.93497)(393.21008, 28071.277)(394.21375, 5184.8223)(395.21674, 1218.4875)" 370.2201@7.408334 FindByFormula + 370.2201 7.408334 370.2419@7.417 "(409.20694, 1683.21)(410.1974, 480.975)" 370.2419@7.417 FindByFormula + 370.2419 7.417 370.2488@9.4715 "(371.25812, 2190.89)(372.25876, 980.80005)" 370.2488@9.4715 FindByFormula + 370.2488 9.4715 372.1908@10.929999 "(373.19812, 2752.7349)(374.20007, 721.2375)" 372.1908@10.929999 FindByFormula + 372.1908 10.929999 372.2488@1.3855 "(373.25452, 5748.035)(374.2568, 1589.1901)" 372.2488@1.3855 FindByFormula + 372.2488 1.3855 372.2647@11.399 "(373.27283, 30903.129)(374.27576, 8553.758)(375.2771, 1370.0101)(395.253, 158.81)" 372.2647@11.399 FindByFormula + 372.2647 11.399 372.2686@13.931667 "(373.27258, 2367.24)(374.27518, 672.12335)" 372.2686@13.931667 FindByFormula + 372.2686 13.931667 372.7161@4.31175 "(746.4364, 1714.2426)(747.4375, 900.645)(768.42377, 2392.2024)(769.4199, 1244.35)(770.4256, 482.35748)(373.72528, 1375.2524)" 372.7161@4.31175 FindByFormula + 372.7161 4.31175 373.2216@7.792333 "(785.4051, 205.88)(374.23096, 2145.4834)(375.22696, 639.715)(376.22354, 171.76999)(396.21143, 248.41)" 373.2216@7.792333 FindByFormula + 373.2216 7.792333 374.2069@11.752666 "(375.2128, 5801.2104)(376.21713, 1414.73)" 374.2069@11.752666 FindByFormula + 374.2069 11.752666 374.2086@11.210251 "(375.2148, 12315.925)(376.2179, 2607.3948)" 374.2086@11.210251 FindByFormula + 374.2086 11.210251 374.218@7.4175715 "(373.21146, 2185.1672)(374.2126, 401.74286)" 374.218@7.4175715 FindByFormula - 374.218 7.4175715 375.1737@7.7825003 "(376.1843, 2379.98)(377.18787, 741.0)" 375.1737@7.7825003 FindByFormula + 375.1737 7.7825003 375.184@8.575001 "(376.1915, 1461.35)(377.1951, 596.55)(378.1954, 24.94)(414.1449, 476.0)(398.17322, 6118.3433)(399.1781, 1394.2933)(400.17847, 498.30997)(401.1772, 79.1)" 375.184@8.575001 FindByFormula + 375.184 8.575001 376.0312@9.757667 "(189.0227, 6444.303)(189.52632, 87.32333)(190.0269, 703.5933)" 376.0312@9.757667 FindByFormula + 376.0312 9.757667 376.2209@11.358856 "(377.22842, 5257.6943)(378.23105, 1307.6085)(379.24277, 230.48)(399.2125, 899.11)(400.2116, 20.37)" 376.2209@11.358856 FindByFormula + 376.2209 11.358856 376.2223@11.7715 "(753.4494, 103.22)(377.2301, 1252.665)(378.2341, 204.395)(379.23636, 130.155)(399.2144, 340.43)" 376.2223@11.7715 FindByFormula + 376.2223 11.7715 376.2364@24.0215 "(375.22827, 2127.1475)(376.2318, 413.94998)" 376.2364@24.0215 FindByFormula - 376.2364 24.0215 377.2416@7.1985 "(400.23074, 2243.395)(401.23108, 899.13995)" 377.2416@7.1985 FindByFormula + 377.2416 7.1985 378.0766@9.711 "(377.0683, 9054.465)(378.07147, 1831.57)(379.06342, 574.825)" 378.0766@9.711 FindByFormula - 378.0766 9.711 378.1696@7.6445 "(379.177, 3254.9)(380.18115, 759.89)(381.17685, 196.205)" 378.1696@7.6445 FindByFormula + 378.1696 7.6445 378.2036@1.8569999 "(379.20886, 3008.9475)(380.20898, 820.3375)" 378.2036@1.8569999 FindByFormula + 378.2036 1.8569999 378.2261@1.29 "(379.2302, 2590.0)(380.23065, 652.6)(401.213, 5108.475)(402.21826, 674.06995)" 378.2261@1.29 FindByFormula + 378.2261 1.29 380.1601@11.075143 "(381.16702, 1374.6715)(382.1697, 502.17856)(383.1758, 188.155)" 380.1601@11.075143 FindByFormula + 380.1601 11.075143 380.2079@7.7636666 "(381.21054, 1458.0834)(382.2125, 620.09)(383.2125, 309.93)" 380.2079@7.7636666 FindByFormula + 380.2079 7.7636666 380.3013@10.7595005 "(381.31018, 742.81)(382.3096, 231.805)" 380.3013@10.7595005 FindByFormula + 380.3013 10.7595005 381.4317@19.254002 "(382.4385, 2254.365)(383.44205, 756.15)" 381.4317@19.254002 FindByFormula + 381.4317 19.254002 382.073@1.2754667 "(381.06378, 3650.972)(382.06647, 559.5387)" 382.073@1.2754667 FindByFormula - 382.073 1.2754667 382.1907@9.2705 "(383.1976, 4051.575)(384.20105, 655.21)" 382.1907@9.2705 FindByFormula + 382.1907 9.2705 382.883@7.2425003 "(383.88965, 1294.3201)(384.8898, 278.99)" 382.883@7.2425003 FindByFormula + 382.883 7.2425003 383.1079@2.918 "(384.11435, 1915.4067)(385.11963, 424.79333)(406.0955, 422.26)" 383.1079@2.918 FindByFormula + 383.1079 2.918 383.2665@10.45425 "(384.27512, 4226.34)(385.278, 1241.3375)(386.28204, 258.555)(406.2569, 1120.1)(407.2465, 203.57)" 383.2665@10.45425 FindByFormula + 383.2665 10.45425 384.239@7.5199995 "(385.25006, 1964.5875)(386.2437, 733.95746)(407.2334, 1122.98)(408.236, 448.47)(409.2386, 512.04)" 384.239@7.5199995 FindByFormula + 384.239 7.5199995 385.1086@1.1223334 "(386.1179, 6455.455)(387.1211, 1327.5651)(388.111, 719.28)(424.06985, 12601.175)(425.07193, 2370.49)(426.0703, 1917.81)(408.09546, 10986.128)(409.09836, 2077.7932)(410.095, 901.67)" 385.1086@1.1223334 FindByFormula + 385.1086 1.1223334 386.1202@1.0730001 "(387.12753, 2927.32)(388.12778, 585.9067)(389.1366, 75.72)" 386.1202@1.0730001 FindByFormula + 386.1202 1.0730001 386.121@1.8756666 "(387.1262, 25640.67)(388.13034, 4444.4966)(389.13354, 2836.117)" 386.121@1.8756666 FindByFormula + 386.121 1.8756666 386.1856@11.302999 "(795.3501, 622.76)(796.3585, 161.15)(797.3488, 105.82)(425.14334, 51778.113)(426.14694, 13104.353)(427.14087, 8076.3765)" 386.1856@11.302999 FindByFormula + 386.1856 11.302999 386.3684@25.512001 "(387.37585, 427.98502)(409.3569, 570.87)(410.36, 297.48)" 386.3684@25.512001 FindByFormula + 386.3684 25.512001 387.1757@12.414999 "(388.18372, 7978.388)(389.18732, 1522.78)" 387.1757@12.414999 FindByFormula + 387.1757 12.414999 388.1367@3.3725 "(389.1442, 2401.445)(390.14566, 511.72)" 388.1367@3.3725 FindByFormula + 388.1367 3.3725 388.2329@7.9014997 "(389.24176, 1097.665)(390.2405, 634.03)(411.221, 434.02)(412.2288, 167.82)" 388.2329@7.9014997 FindByFormula + 388.2329 7.9014997 388.2434@1.7075 "(799.4815, 78.83)(389.24817, 2211.255)(390.24905, 520.23)(391.2371, 98.63)(411.232, 1253.9)" 388.2434@1.7075 FindByFormula + 388.2434 1.7075 388.2569@18.937334 "(389.26523, 1198.0267)(390.26968, 357.93835)(391.26657, 286.25665)" 388.2569@18.937334 FindByFormula + 388.2569 18.937334 388.2604@9.687 "(389.26672, 5069.125)(390.2708, 2008.98)" 388.2604@9.687 FindByFormula + 388.2604 9.687 389.2567@21.0025 "(388.25104, 2093.2551)(389.25342, 510.065)" 389.2567@21.0025 FindByFormula - 389.2567 21.0025 390.1544@14.5632 "(391.16278, 4415.948)(392.1667, 928.526)(393.164, 232.854)" 390.1544@14.5632 FindByFormula + 390.1544 14.5632 390.1952@7.6165 "(391.2001, 2325.09)(392.2096, 165.65)(413.18216, 1495.375)(414.18878, 637.86)" 390.1952@7.6165 FindByFormula + 390.1952 7.6165 390.2017@9.065999 "(391.20963, 2998.34)(392.21298, 664.0233)" 390.2017@9.065999 FindByFormula + 390.2017 9.065999 390.2019@10.4817505 "(391.20795, 4274.1924)(392.21265, 1044.53)(413.1924, 195.04)" 390.2019@10.4817505 FindByFormula + 390.2019 10.4817505 390.2033@9.906 "(391.20947, 3906.5828)(392.21378, 936.35)" 390.2033@9.906 FindByFormula + 390.2033 9.906 390.2035@10.468 "(391.20847, 3817.4102)(392.21152, 922.195)(429.1679, 64.18)" 390.2035@10.468 FindByFormula + 390.2035 10.468 390.2115@17.586332 "(391.22018, 4678.443)(392.2228, 1379.6333)" 390.2115@17.586332 FindByFormula + 390.2115 17.586332 390.2786@12.665501 "(803.5357, 2100.02)(391.28372, 11452.475)(392.28613, 3299.0676)(393.28732, 543.7425)(429.2335, 2829.7026)(430.2408, 1565.53)(413.26566, 31289.65)(414.26956, 8347.773)(415.2766, 1804.16)" 390.2786@12.665501 FindByFormula + 390.2786 12.665501 392.1198@10.116666 "(197.0672, 2379.47)(197.56805, 355.15002)(198.0726, 120.649994)(393.12357, 1761.7433)(394.1268, 414.4467)(415.1135, 2372.91)(416.11206, 419.9833)" 392.1198@10.116666 FindByFormula + 392.1198 10.116666 392.2061@7.882 "(391.20062, 2317.3052)(392.1983, 642.155)" 392.2061@7.882 FindByFormula - 392.2061 7.882 392.207@7.799 "(391.20065, 1388.654)(392.20038, 398.98602)" 392.207@7.799 FindByFormula - 392.207 7.799 392.2196@9.995501 "(393.2237, 10834.09)(394.228, 2532.445)(395.23633, 1049.215)" 392.2196@9.995501 FindByFormula + 392.2196 9.995501 392.2893@11.8550005 "(391.2823, 1586.8374)(392.28644, 444.505)(393.2882, 60.9)" 392.2893@11.8550005 FindByFormula - 392.2893 11.8550005 392.2917@13.706445 "(783.5703, 818.86)(784.5748, 437.83398)(391.28336, 22448.428)(392.28632, 6060.739)(393.2886, 969.2178)" 392.2917@13.706445 FindByFormula - 392.2917 13.706445 393.1284@1.453 "(416.1197, 1203.195)(417.11072, 189.005)" 393.1284@1.453 FindByFormula + 393.1284 1.453 393.2913@13.205 "(394.29495, 4981.8604)(395.2953, 1435.5)" 393.2913@13.205 FindByFormula + 393.2913 13.205 393.851@27.049 "(394.8581, 1200.855)(395.8587, 315.54)" 393.851@27.049 FindByFormula + 393.851 27.049 393.8515@27.0155 "(394.8587, 2241.1401)(395.85916, 516.54004)" 393.8515@27.0155 FindByFormula + 393.8515 27.0155 393.8523@27.5795 "(394.85938, 2468.675)(395.86212, 631.6)" 393.8523@27.5795 FindByFormula + 393.8523 27.5795 393.8526@27.664999 "(394.8603, 1687.1226)(395.8589, 376.27002)" 393.8526@27.664999 FindByFormula + 393.8526 27.664999 394.2341@9.802 "(395.24017, 4650.4727)(396.24188, 1144.125)" 394.2341@9.802 FindByFormula + 394.2341 9.802 394.2347@10.1554 "(393.2279, 3993.98)(394.231, 973.7938)(395.2434, 180.82)" 394.2347@10.1554 FindByFormula - 394.2347 10.1554 394.2368@10.695399 "(393.22675, 2003.7201)(394.22943, 532.172)(395.2408, 97.1)" 394.2368@10.695399 FindByFormula - 394.2368 10.695399 396.248@1.07075 "(397.2571, 3909.2502)(398.25882, 1203.4675)(399.2468, 586.35)" 396.248@1.07075 FindByFormula + 396.248 1.07075 396.2813@23.993332 "(395.27597, 1709.4401)(396.27896, 390.3933)" 396.2813@23.993332 FindByFormula - 396.2813 23.993332 397.1663@8.5235 "(398.17468, 5134.335)(399.1786, 944.49)(400.17303, 570.775)(420.15582, 1326.17)(421.1623, 607.57)" 397.1663@8.5235 FindByFormula + 397.1663 8.5235 397.1744@2.5255 "(795.35583, 1061.785)(796.3545, 510.06)(817.3324, 452.53497)(398.1824, 752.64)" 397.1744@2.5255 FindByFormula + 397.1744 2.5255 397.2345@12.6575 "(398.2416, 3164.6099)(399.2443, 1163.48)(400.24524, 257.42502)" 397.2345@12.6575 FindByFormula + 397.2345 12.6575 397.3187@14.6095 "(398.3242, 1467.49)(399.3275, 382.71)(420.3077, 620.73)(421.3195, 214.38)" 397.3187@14.6095 FindByFormula + 397.3187 14.6095 397.3188@14.6095 "(398.3242, 1467.49)(399.3275, 382.71)(420.3077, 620.73)(421.3195, 214.38)" 397.3188@14.6095 FindByFormula + 397.3188 14.6095 399.26@9.454 "(400.2696, 1415.84)(401.27686, 320.5)" 399.26@9.454 FindByFormula + 399.26 9.454 3-Acetylnerbowdine "3-Acetylnerbowdine [ C19 H23 N O6, db=38.18, tgt=, overall=38.18, CAS ID=100196-22-3, KEGG ID=C08514, METLIN ID=67035 ]" 100196-22-3 "(362.15894, 6015.92)(363.1538, 2002.485)" 3-Acetylnerbowdine FindByFormula + C08514 361.1495 9.0955 "3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid" "3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid [ C27 H46 O6, db=74.58, tgt=, overall=74.58, Lipid ID=LMST04030045, METLIN ID=84791 ]" "(489.3189, 2656.8042)(490.3199, 851.45197)" "3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid" FindByFormula + LMST04030045 488.3091 9.5262 "3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid + 9.674" "3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid [ C27 H46 O6, db=63.44, tgt=, overall=63.44, Lipid ID=LMST04030045, METLIN ID=84791 ]" "(489.3177, 1588.7051)(490.3193, 619.045)" "3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholestan-26-oic acid + 9.674" FindByFormula + LMST04030045 488.3081 9.674 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid "3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid [ C33 H50 O5, db=70.27, tgt=, overall=70.27, CAS ID=17019-95-3, HMP ID=HMDB36673, METLIN ID=91713 ]" 17019-95-3 "(549.3566, 2287.5032)(550.3648, 689.75336)(551.35876, 237.94)" 3alpha-Acetomethoxy-11alpha-oxo-12-ursen-24-oic acid FindByFormula HMDB36673 + 548.3552 12.883334 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=87.69, tgt=, overall=87.69, METLIN ID=42909 ]" "(373.27325, 4806.2744)(374.2764, 1560.1)(375.27588, 386.7667)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid" FindByFormula + 372.2653 10.025601 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.019334" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=79.94, tgt=, overall=79.94, METLIN ID=42909 ]" "(373.27347, 3377.5833)(374.27628, 1175.91)(375.2743, 310.36)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.019334" FindByFormula + 372.265 10.019334 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.038001" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=82.85, tgt=, overall=82.85, METLIN ID=42909 ]" "(373.27396, 8786.054)(374.27713, 2741.8098)(375.27924, 1262.04)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.038001" FindByFormula + 372.2684 10.038001 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.04125" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=93.58, tgt=, overall=93.58, METLIN ID=42909 ]" "(373.27362, 3675.9275)(374.2773, 1068.31)(375.2753, 239.67334)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.04125" FindByFormula + 372.2662 10.04125 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.477" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=75.98, tgt=, overall=75.98, METLIN ID=42909 ]" "(373.27454, 2009.335)(374.27582, 605.13)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 10.477" FindByFormula + 372.267 10.477 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 12.635" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=77.29, tgt=, overall=77.29, METLIN ID=42909 ]" "(373.2732, 3964.9248)(374.27612, 1241.385)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 12.635" FindByFormula + 372.2668 12.635 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.4686" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=71.16, tgt=, overall=71.16, METLIN ID=42909 ]" "(373.27432, 3722.218)(374.27536, 1235.858)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.4686" FindByFormula + 372.268 9.4686 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.5305" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=89.54, tgt=, overall=89.54, METLIN ID=42909 ]" "(373.27344, 6155.593)(374.27588, 1872.8525)(375.27438, 392.72336)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.5305" FindByFormula + 372.2655 9.5305 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.594501" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=90.16, tgt=, overall=90.16, METLIN ID=42909 ]" "(373.2736, 7662.336)(374.2755, 2396.315)(375.2759, 117.4)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.594501" FindByFormula + 372.2657 9.594501 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.594501 :1" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=92.25, tgt=, overall=92.25, METLIN ID=42909 ]" "(373.27353, 7610.971)(374.2759, 2405.8584)(375.2796, 611.06)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.594501 :1" FindByFormula + 372.2667 9.594501 "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.9956665" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H36 O3, db=90.95, tgt=, overall=90.95, METLIN ID=42909 ]" "(373.2739, 9353.391)(374.27747, 2895.8015)(375.27585, 696.81665)" "3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid + 9.9956665" FindByFormula + 372.2676 9.9956665 3-Amino-3-(4-hydroxyphenyl)propanoate "3-Amino-3-(4-hydroxyphenyl)propanoate [ C9 H11 N O3, db=89.26, tgt=, overall=89.26, CAS ID=6049-54-3, KEGG ID=C04368, HMP ID=HMDB03831, METLIN ID=6984 ]" 6049-54-3 "(363.15555, 439.5)(401.1062, 2018.652)(402.1119, 460.61224)(182.08122, 127167.89)(183.08432, 14062.863)(184.08179, 6662.859)(185.0789, 1962.97)(220.03534, 390.94003)(204.06342, 1110.2583)" 3-Amino-3-(4-hydroxyphenyl)propanoate FindByFormula HMDB03831 + C04368 181.0745 1.153069 3-Amino-3-(4-hydroxyphenyl)propanoate - 1.1661538 "3-Amino-3-(4-hydroxyphenyl)propanoate [ C9 H11 N O3, db=85.99, tgt=, overall=85.99, CAS ID=6049-54-3, KEGG ID=C04368, HMP ID=HMDB03831, METLIN ID=6984 ]" 6049-54-3 "(180.06714, 3358.4392)(181.07042, 362.92078)" 3-Amino-3-(4-hydroxyphenyl)propanoate - 1.1661538 FindByFormula HMDB03831 - C04368 181.0758 1.1661538 3a-OH Desogestrel "3a-OH Desogestrel [ C22 H30 O2, mfg=70.20, db=70.05, tgt=, overall=70.12, CAS ID=70805-84-4, METLIN ID=1952 ]" 70805-84-4 "(327.2309, 738.33496)(328.23413, 244.45499)" 3a-OH Desogestrel FindByFormula + 326.2235 15.99 3-beta-Hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate "3-beta-Hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate [ C21 H32 O6 S, db=85.98, tgt=, overall=85.98, CAS ID=, METLIN ID=4084 ]" "(435.1831, 1782.6768)(436.18454, 490.90665)(437.18497, 200.48665)" 3-beta-Hydroxy-20-oxopregn-5-en-17-alpha-yl sulfate FindByFormula + 434.1729 20.151 3-bromo-2Z-heptenoic acid "3-bromo-2Z-heptenoic acid [ C7 H11 Br O2, db=64.17, tgt=, overall=64.17, Lipid ID=LMFA01090001, METLIN ID=74819 ]" "(125.98657, 14921.242)(126.48847, 145.065)(126.98937, 813.975)" 3-bromo-2Z-heptenoic acid FindByFormula + LMFA01090001 249.9581 27.359 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid "3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid [ C12 H16 O5, db=86.29, tgt=, overall=86.29, Lipid ID=LMFA01150004, METLIN ID=74897 ]" "(239.09229, 5002.7173)(240.09537, 680.176)" 3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid FindByFormula - LMFA01150004 240.1001 10.52305 "3-decaprenyl-4,5-dihydroxybenzoic acid" "3-decaprenyl-4,5-dihydroxybenzoic acid [ C57 H86 O4, db=65.60, tgt=, overall=65.60, Lipid ID=LMPR02010034, METLIN ID=53836 ]" "(835.66113, 4049.5063)(836.65393, 1979.594)(837.6592, 759.104)" "3-decaprenyl-4,5-dihydroxybenzoic acid" FindByFormula + LMPR02010034 834.6506 22.1908 "3-decaprenyl-4,5-dihydroxybenzoic acid + 26.8219" "3-decaprenyl-4,5-dihydroxybenzoic acid [ C57 H86 O4, db=77.41, tgt=, overall=77.41, Lipid ID=LMPR02010034, METLIN ID=53836 ]" "(835.6627, 2693.078)(836.66174, 1523.233)(837.6669, 793.566)" "3-decaprenyl-4,5-dihydroxybenzoic acid + 26.8219" FindByFormula + LMPR02010034 834.6567 26.8219 3-Deoxy-D-arabinitol "3-Deoxy-D-arabinitol [ C5 H12 O4, db=79.06, tgt=, overall=79.06, CAS ID=92691-36-6, HMP ID=HMDB31201, METLIN ID=87490 ]" 92691-36-6 "(317.11786, 123.3)(159.06282, 5936.4556)(160.06438, 529.58496)(181.04567, 1385.5367)(182.04803, 244.38)" 3-Deoxy-D-arabinitol FindByFormula HMDB31201 + 158.0544 1.39475 3-Deoxyguanosine "3-Deoxyguanosine [ C10 H13 N5 O4, db=93.02, tgt=, overall=93.02, CAS ID=3608-58-0, METLIN ID=4149 ]" 3608-58-0 "(535.2062, 786.08746)(268.1052, 251744.64)(269.1065, 37034.266)(270.10565, 5869.6924)(290.08664, 4442.8467)" 3-Deoxyguanosine FindByFormula + 267.0975 1.1867692 3-Deoxyvitamin D3 "3-Deoxyvitamin D3 [ C27 H44, db=62.72, tgt=, overall=62.72, Lipid ID=LMST03020618, METLIN ID=42544 ]" "(369.352, 507.29498)(370.35385, 229.095)" 3-Deoxyvitamin D3 FindByFormula + LMST03020618 368.3438 19.1445 3-Formylrifampin "3-Formylrifampin [ C38 H47 N O13, db=78.54, tgt=, overall=78.54, CAS ID=13292-22-3, METLIN ID=2317 ]" 13292-22-3 "(748.29553, 1412.6274)(749.29504, 733.165)(750.3033, 324.26)" 3-Formylrifampin FindByFormula + 747.289 15.38525 3-Isochromanone "3-Isochromanone [ C9 H8 O2, db=95.75, tgt=, overall=95.75, CAS ID=4385-35-7, KEGG ID=C07728, METLIN ID=44717 ]" 4385-35-7 "(149.06012, 14989.971)(150.06339, 1567.2595)(151.06142, 470.96555)" 3-Isochromanone FindByFormula + C07728 148.0531 1.9295 3-Methylindole "3-Methylindole [ C9 H9 N, db=84.98, tgt=, overall=84.98, CAS ID=83-34-1, KEGG ID=C08313, HMP ID=HMDB00466, METLIN ID=5453 ]" 83-34-1 "(132.08041, 3622.785)(133.08466, 349.5075)" 3-Methylindole FindByFormula HMDB00466 + C08313 131.0741 4.36725 3'-N-Debenzoyltaxol "3'-N-Debenzoyltaxol [ C40 H47 N O13, db=51.73, tgt=, overall=51.73, CAS ID=133524-70-6, KEGG ID=C16524, METLIN ID=64037 ]" 133524-70-6 "(750.3096, 1680.0925)(751.3113, 669.20996)(752.3076, 447.575)" 3'-N-Debenzoyltaxol FindByFormula + C16524 749.3084 17.235498 3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol "3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol [ C34 H56 O9, db=82.88, tgt=, overall=82.88, Lipid ID=LMST01080077, METLIN ID=84228 ]" "(609.3969, 17680.262)(610.4005, 6495.2476)(611.39905, 1647.8827)(612.40436, 455.88998)" 3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol FindByFormula + LMST01080077 608.3894 18.164843 3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol + 18.167368 "3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol [ C34 H56 O9, db=83.29, tgt=, overall=83.29, Lipid ID=LMST01080077, METLIN ID=84228 ]" "(609.3969, 18802.262)(610.40045, 6831.699)(611.39905, 1647.8827)(612.40436, 455.88998)" 3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol + 18.167368 FindByFormula + LMST01080077 608.3893 18.167368 3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol + 18.18679 "3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol [ C34 H56 O9, db=83.75, tgt=, overall=83.75, Lipid ID=LMST01080077, METLIN ID=84228 ]" "(609.397, 16655.773)(610.4006, 6114.836)(611.39923, 1610.1122)(612.4067, 374.93332)" 3-O-(Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol + 18.18679 FindByFormula + LMST01080077 608.3895 18.18679 3-O-Demethylamorphigenin "3-O-Demethylamorphigenin [ C22 H20 O7, db=80.82, tgt=, overall=80.82, Lipid ID=LMPK12060016, METLIN ID=48029 ]" "(395.1124, 7749.1147)(396.11578, 1655.355)(397.11365, 679.55)" 3-O-Demethylamorphigenin FindByFormula - LMPK12060016 396.1209 9.2165 3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid "3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid [ C26 H48 O9, db=80.99, tgt=, overall=80.99, Lipid ID=LMFA13030001, METLIN ID=46612 ]" "(527.32086, 11453.126)(528.3218, 4106.285)(529.3166, 620.885)" 3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid FindByFormula + LMFA13030001 526.3113 7.991333 3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid + 12.8585 "3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid [ C26 H48 O9, db=70.34, tgt=, overall=70.34, Lipid ID=LMFA13030001, METLIN ID=46612 ]" "(505.33496, 9929.375)(506.3362, 3195.6702)(507.32947, 573.45)" 3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid + 12.8585 FindByFormula + LMFA13030001 504.3288 12.8585 3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid + 7.9462504 "3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid [ C26 H48 O9, db=94.91, tgt=, overall=94.91, Lipid ID=LMFA13030001, METLIN ID=46612 ]" "(505.33694, 614.17)(527.31964, 14115.035)(528.3205, 4332.565)(529.32513, 752.8125)" 3-O-L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid + 7.9462504 FindByFormula + LMFA13030001 504.3282 7.9462504 3-O-Methyl-a-methyldopamine "3-O-Methyl-a-methyldopamine [ C10 H15 N O2, db=95.81, tgt=, overall=95.81, CAS ID=13026-44-3, METLIN ID=1218 ]" 13026-44-3 "(182.11815, 15812.22)(183.12163, 2125.473)(184.1251, 382.51334)" 3-O-Methyl-a-methyldopamine FindByFormula + 181.1114 9.814714 "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid" "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H34 O3, db=73.60, tgt=, overall=73.60, METLIN ID=42911 ]" "(371.2578, 3761.0)(372.26077, 1288.0167)" "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid" FindByFormula + 370.2482 9.689 "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid + 10.669001" "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H34 O3, db=79.76, tgt=, overall=79.76, METLIN ID=42911 ]" "(371.2576, 3015.2002)(372.26245, 863.83997)" "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid + 10.669001" FindByFormula + 370.2509 10.669001 "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid + 10.669001 :1" "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid [ C24 H34 O3, db=80.95, tgt=, overall=80.95, METLIN ID=42911 ]" "(371.25775, 2998.37)(372.2626, 817.22)" "3-Oxo-5beta-chola-7,9(11)-dien-24-oic Acid + 10.669001 :1" FindByFormula + 370.252 10.669001 3-Oxo-OPC4-CoA "3-Oxo-OPC4-CoA [ C35 H54 N7 O19 P3 S, db=61.17, tgt=, overall=61.17, CAS ID=, KEGG ID=C16338, METLIN ID=63354 ]" "(1024.2302, 6381.9854)(1025.2307, 2117.33)(1046.2076, 3338.39)(1047.2222, 1556.12)" 3-Oxo-OPC4-CoA FindByFormula + C16338 1023.2212 7.0315 3S-hydroxypalmitic acid "3S-hydroxypalmitic acid [ C16 H32 O3, db=79.88, tgt=, overall=79.88, Lipid ID=LMFA01050365, METLIN ID=45828 ]" "(271.2266, 4269.7456)(272.22977, 800.67334)" 3S-hydroxypalmitic acid FindByFormula - LMFA01050365 272.2346 19.202166 3-Sulfodeoxycholic acid "3-Sulfodeoxycholic acid [ C24 H40 O7 S, db=90.93, tgt=, overall=90.93, Lipid ID=LMST04010446, METLIN ID=57910 ]" "(471.24008, 21103.691)(472.2433, 5701.8813)(473.24246, 1861.9235)(474.24377, 545.2975)" 3-Sulfodeoxycholic acid FindByFormula - LMST04010446 472.2486 12.382 3-Sulfodeoxycholic acid - 10.723399 "3-Sulfodeoxycholic acid [ C24 H40 O7 S, db=92.46, tgt=, overall=92.46, Lipid ID=LMST04010446, METLIN ID=57910 ]" "(471.24066, 5088.8496)(472.24423, 1333.018)(473.24368, 328.29666)" 3-Sulfodeoxycholic acid - 10.723399 FindByFormula - LMST04010446 472.2477 10.723399 3-Vinylbacteriochlorophyllide d "3-Vinylbacteriochlorophyllide d [ C33 H32 Mg N4 O3, db=59.76, tgt=, overall=59.76, CAS ID=, KEGG ID=C18157, METLIN ID=63979 ]" "(1195.4048, 388.04)(1179.421, 659.89)(1180.4531, 203.56)(579.2241, 16272.234)(580.2286, 5760.56)(581.2269, 1210.27)" 3-Vinylbacteriochlorophyllide d FindByFormula + C18157 578.2161 8.4055 4-(1-piperazinyl)-1H-indole "4-(1-piperazinyl)-1H-indole [ C12 H14 N3, db=78.30, tgt=, overall=78.30, CAS ID=84807-09-0, METLIN ID=44966 ]" 84807-09-0 "(223.10767, 2728.875)(224.11078, 558.73004)(245.0887, 703.2)" 4-(1-piperazinyl)-1H-indole FindByFormula + 222.0998 3.9515 4-(1-piperazinyl)-1H-indole + 2.6737273 "4-(1-piperazinyl)-1H-indole [ C12 H14 N3, db=83.89, tgt=, overall=83.89, CAS ID=84807-09-0, METLIN ID=44966 ]" 84807-09-0 "(223.10829, 2421.4353)(224.11069, 425.56815)(245.08937, 523.9083)" 4-(1-piperazinyl)-1H-indole + 2.6737273 FindByFormula + 222.1005 2.6737273 4-(1-piperazinyl)-1H-indole + 2.7155 "4-(1-piperazinyl)-1H-indole [ C12 H14 N3, db=82.83, tgt=, overall=82.83, CAS ID=84807-09-0, METLIN ID=44966 ]" 84807-09-0 "(223.1081, 1789.4185)(224.11139, 327.905)(245.0907, 368.04248)" 4-(1-piperazinyl)-1H-indole + 2.7155 FindByFormula + 222.1002 2.7155 4-(1-piperazinyl)-1H-indole + 2.7177143 "4-(1-piperazinyl)-1H-indole [ C12 H14 N3, db=82.65, tgt=, overall=82.65, CAS ID=84807-09-0, METLIN ID=44966 ]" 84807-09-0 "(223.10837, 1887.6272)(224.11157, 341.47427)(245.08989, 349.71664)" 4-(1-piperazinyl)-1H-indole + 2.7177143 FindByFormula + 222.101 2.7177143 4-(1-piperazinyl)-1H-indole + 3.9369998 "4-(1-piperazinyl)-1H-indole [ C12 H14 N3, db=72.23, tgt=, overall=72.23, CAS ID=84807-09-0, METLIN ID=44966 ]" 84807-09-0 "(223.10791, 2716.085)(224.1112, 635.77)(245.08975, 616.94)" 4-(1-piperazinyl)-1H-indole + 3.9369998 FindByFormula + 222.1013 3.9369998 4-(1-piperazinyl)-1H-indole + 3.9515 "4-(1-piperazinyl)-1H-indole [ C12 H14 N3, db=77.36, tgt=, overall=77.36, CAS ID=84807-09-0, METLIN ID=44966 ]" 84807-09-0 "(223.10767, 2889.0676)(224.11055, 603.42505)(245.0898, 799.8667)" 4-(1-piperazinyl)-1H-indole + 3.9515 FindByFormula + 222.1002 3.9515 "4,11,13,15-Tetrahydroridentin B" "4,11,13,15-Tetrahydroridentin B [ C15 H24 O4, db=78.75, tgt=, overall=78.75, CAS ID=75991-58-1, HMP ID=HMDB36150, METLIN ID=91305 ]" 75991-58-1 "(291.15753, 14954.781)(292.16202, 1959.984)" "4,11,13,15-Tetrahydroridentin B" FindByFormula HMDB36150 + 290.1501 1.4192 "4,4'-Diapolycopenedial" "4,4'-Diapolycopenedial [ C30 H36 O2, db=59.22, tgt=, overall=59.22, KEGG ID=C19798, METLIN ID=73366 ]" "(857.54724, 6455.2695)(858.55005, 3030.455)(859.5496, 1072.7474)(879.5289, 5209.8203)(880.53174, 2248.9075)(881.5252, 726.975)(429.27954, 1218.4451)(430.2665, 218.73)" "4,4'-Diapolycopenedial" FindByFormula + C19798 428.2687 2.046 "4,4'-Sulfonyldiphenol" "4,4'-Sulfonyldiphenol [ C12 H10 O4 S, db=74.43, tgt=, overall=74.43, CAS ID=80-09-1, KEGG ID=C14216, METLIN ID=69883 ]" 80-09-1 "(249.02225, 5707.34)(250.02545, 945.48)" "4,4'-Sulfonyldiphenol" FindByFormula - C14216 250.0302 10.269501 "4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole" "4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole [ C8 H Cl4 F3 N2, db=64.65, tgt=, overall=64.65, CAS ID=2338-29-6, KEGG ID=C11322, METLIN ID=68989 ]" 2338-29-6 "(344.8753, 16961.266)(345.87817, 1025.81)(346.87408, 1052.115)(347.8633, 262.72)(366.8606, 625.66)" "4,5,6,7-Tetrachloro-2-trifluoromethylbenzimidazole" FindByFormula + C11322 343.8672 27.46 "4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol" "4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=98.44, tgt=, overall=98.44, Lipid ID=LMPK12020217, METLIN ID=47433 ]" "(795.3385, 461.8)(796.3453, 69.72)(797.3356, 194.34)(798.3345, 25.84)(387.18045, 26380.502)(388.18384, 6037.3696)(389.18784, 1117.41)(425.13647, 63404.61)(426.1396, 16248.52)(427.13782, 6511.335)(428.13947, 1375.765)(409.1626, 458024.5)(410.16605, 100858.31)(411.1684, 17640.314)(412.1722, 1782.31)" "4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol" FindByFormula + LMPK12020217 386.1728 12.409333 "4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 12.41275" "4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol [ C22 H26 O6, db=99.18, tgt=, overall=99.18, Lipid ID=LMPK12020217, METLIN ID=47433 ]" "(795.3365, 2054.55)(796.3425, 876.725)(387.1806, 21052.512)(388.18393, 5184.2705)(389.18695, 900.91)(425.13635, 59043.816)(426.13974, 14805.605)(427.13773, 6298.675)(428.1383, 1567.7051)(409.16266, 387199.5)(410.166, 91186.97)(411.16833, 16628.816)(412.17075, 3038.045)" "4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol + 12.41275" FindByFormula + LMPK12020217 386.1738 12.41275 4-[[5-[[(cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-Benzoic acid "4-[[5-[[(cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-Benzoic acid [ C24 H26 N2 O5, db=79.79, tgt=, overall=79.79, CAS ID=107754-20-1, METLIN ID=3055 ]" 107754-20-1 "(423.19125, 9162.42)(424.19327, 2581.8032)(445.1683, 1177.97)(446.1759, 219.685)" 4-[[5-[[(cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-Benzoic acid FindByFormula + 422.1815 9.577001 4-[[5-[[(cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-Benzoic acid + 10.89525 "4-[[5-[[(cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-Benzoic acid [ C24 H26 N2 O5, db=78.23, tgt=, overall=78.23, CAS ID=107754-20-1, METLIN ID=3055 ]" 107754-20-1 "(423.19186, 1878.915)(424.19446, 583.43005)" 4-[[5-[[(cyclopentyloxy)carbonyl]amino]-1-methyl-1H-indol-3-yl]methyl]-3-methoxy-Benzoic acid + 10.89525 FindByFormula + 422.1835 10.89525 400.1982@7.369 "(399.19128, 2497.2666)(400.19202, 472.08667)" 400.1982@7.369 FindByFormula - 400.1982 7.369 400.256@8.114 "(401.2709, 1834.39)(402.2717, 603.61)(423.2423, 671.33)(424.2558, 243.7)" 400.256@8.114 FindByFormula + 400.256 8.114 400.2922@26.019499 "(401.2991, 6102.6465)(402.3032, 1271.0267)(403.29868, 225.56667)" 400.2922@26.019499 FindByFormula + 400.2922 26.019499 400.9704@2.0327501 "(802.9522, 231.22)(401.9787, 2709.2625)(402.98114, 745.255)" 400.9704@2.0327501 FindByFormula + 400.9704 2.0327501 401.3148@12.166 "(402.32098, 1969.3425)(403.32117, 685.99)(424.2977, 377.09998)" 401.3148@12.166 FindByFormula + 401.3148 12.166 401.3419@14.602 "(402.3538, 4689.295)(403.3555, 1456.6951)" 401.3419@14.602 FindByFormula + 401.3419 14.602 402.1682@15.383143 "(403.17538, 1995.6628)(404.1792, 484.57428)(441.12405, 181.85)" 402.1682@15.383143 FindByFormula + 402.1682 15.383143 402.2017@9.019501 "(805.4092, 4274.12)(806.4098, 2358.75)" 402.2017@9.019501 FindByFormula + 402.2017 9.019501 402.2159@9.799333 "(425.2061, 31621.273)(426.20703, 8494.316)" 402.2159@9.799333 FindByFormula + 402.2159 9.799333 402.2379@11.507667 "(403.2443, 3577.4133)(404.24887, 1188.26)(405.24744, 183.23999)" 402.2379@11.507667 FindByFormula + 402.2379 11.507667 403.125@1.4275 "(845.223, 238.96)(404.13184, 1702.0)(405.13593, 499.28497)(406.1288, 456.01)" 403.125@1.4275 FindByFormula + 403.125 1.4275 403.1536@7.3365 "(404.15735, 942.14)(426.13715, 6112.7646)(427.1507, 1693.5901)" 403.1536@7.3365 FindByFormula + 403.1536 7.3365 404.1637@20.526299 "(403.15643, 2691.4182)(404.15814, 883.945)(405.15887, 262.66998)" 404.1637@20.526299 FindByFormula - 404.1637 20.526299 404.2062@7.2865 "(405.2143, 1940.86)(406.21686, 605.5)(407.2182, 192.53)" 404.2062@7.2865 FindByFormula + 404.2062 7.2865 404.2219@1.051 "(405.2362, 2479.32)(406.2364, 763.18)(443.1885, 849.55)(444.1863, 403.94)" 404.2219@1.051 FindByFormula + 404.2219 1.051 404.2548@11.04275 "(405.26065, 21864.03)(406.2657, 5702.99)(407.26633, 1121.6066)(427.24408, 1435.7)(428.2492, 574.485)" 404.2548@11.04275 FindByFormula + 404.2548 11.04275 404.2914@24.823141 "(405.3005, 914.0157)(406.30338, 310.3043)" 404.2914@24.823141 FindByFormula + 404.2914 24.823141 405.1849@1.1524999 "(811.376, 2666.56)(812.3733, 1829.3)(813.373, 597.97)(406.1919, 745.2)(444.15198, 1285.27)(445.15112, 429.505)" 405.1849@1.1524999 FindByFormula + 405.1849 1.1524999 406.1408@12.70243 "(407.14795, 2370.4644)(408.14944, 751.32574)" 406.1408@12.70243 FindByFormula + 406.1408 12.70243 406.2201@6.729 "(407.22424, 1440.495)(408.22226, 392.58)" 406.2201@6.729 FindByFormula + 406.2201 6.729 406.2217@1.8050001 "(407.22992, 1808.3049)(408.2293, 461.56)" 406.2217@1.8050001 FindByFormula + 406.2217 1.8050001 406.2701@10.40325 "(405.26266, 3588.295)(406.266, 1061.415)" 406.2701@10.40325 FindByFormula - 406.2701 10.40325 406.2704@10.7095 "(407.27728, 1416.64)(408.2776, 314.455)(409.2806, 63.7)(429.2609, 6692.245)(430.26575, 1840.01)(431.2641, 263.24)" 406.2704@10.7095 FindByFormula + 406.2704 10.7095 407.0874@1.1270001 "(408.09506, 7864.8447)(409.0986, 1609.605)(410.09637, 469.69998)" 407.0874@1.1270001 FindByFormula + 407.0874 1.1270001 407.2083@8.955334 "(406.20145, 1516.1533)(407.20316, 450.27002)" 407.2083@8.955334 FindByFormula - 407.2083 8.955334 407.9109@26.837168 "(408.91797, 1945.8433)(409.9193, 472.3533)" 407.9109@26.837168 FindByFormula + 407.9109 26.837168 408.2102@1.131 "(855.4042, 775.86)(856.4042, 311.51)(839.4196, 367.85)(409.21826, 2477.0698)(410.2246, 851.255)(411.2291, 1051.29)" 408.2102@1.131 FindByFormula + 408.2102 1.131 410.0877@16.800858 "(411.09366, 2393.963)(412.09402, 934.3443)(413.09076, 673.8251)" 410.0877@16.800858 FindByFormula + 410.0877 16.800858 410.1606@12.4265 "(411.1685, 18338.99)(412.17212, 2503.86)" 410.1606@12.4265 FindByFormula + 410.1606 12.4265 411.2333@0.9915 "(823.4645, 425.02)(824.4846, 297.35)(412.2424, 1946.91)(413.2516, 988.06)" 411.2333@0.9915 FindByFormula + 411.2333 0.9915 411.7674@13.755 "(412.77545, 4309.02)(413.77386, 568.05)" 411.7674@13.755 FindByFormula + 411.7674 13.755 411.8543@28.0545 "(412.86194, 1767.165)(413.86237, 78.695)(414.8671, 200.42)" 411.8543@28.0545 FindByFormula + 411.8543 28.0545 412.1167@9.2055 "(413.1242, 1665.375)(414.12433, 466.77502)" 412.1167@9.2055 FindByFormula + 412.1167 9.2055 412.1297@9.779 "(413.13702, 9708.02)(414.13965, 2058.555)(415.1334, 460.755)(435.1258, 604.64)" 412.1297@9.779 FindByFormula + 412.1297 9.779 412.2455@9.823833 "(411.23657, 1583.5533)(412.24, 444.6)" 412.2455@9.823833 FindByFormula - 412.2455 9.823833 413.2756@11.4125 "(414.28534, 1743.1599)(415.281, 770.66003)" 413.2756@11.4125 FindByFormula + 413.2756 11.4125 413.2909@9.874667 "(414.29947, 1625.0433)(415.30258, 578.45)" 413.2909@9.874667 FindByFormula + 413.2909 9.874667 413.2916@11.52625 "(414.2996, 8227.5)(415.30432, 2595.8125)" 413.2916@11.52625 FindByFormula + 413.2916 11.52625 413.2928@11.534429 "(414.3, 8187.2266)(415.3047, 2505.5015)(416.30096, 218.84999)" 413.2928@11.534429 FindByFormula + 413.2928 11.534429 413.2929@11.560888 "(414.29932, 5935.392)(415.30396, 1840.2667)(416.30664, 250.90668)" 413.2929@11.560888 FindByFormula + 413.2929 11.560888 413.2943@10.45 "(414.3002, 3847.903)(415.3055, 1318.45)(416.3006, 155.28)" 413.2943@10.45 FindByFormula + 413.2943 10.45 414.2076@9.9214 "(413.20078, 1915.932)(414.20245, 528.02795)" 414.2076@9.9214 FindByFormula - 414.2076 9.9214 414.2521@8.389667 "(413.24536, 2180.4565)(414.24844, 566.48004)" 414.2521@8.389667 FindByFormula - 414.2521 8.389667 414.2686@7.09075 "(829.54724, 5340.17)(830.5619, 2793.4526)(831.5471, 1103.3776)(415.27835, 3211.3232)" 414.2686@7.09075 FindByFormula + 414.2686 7.09075 415.1078@1.4795 "(416.11, 1243.22)(417.1151, 214.37)(454.0741, 360.63)(438.097, 1589.125)(439.10736, 432.515)" 415.1078@1.4795 FindByFormula + 415.1078 1.4795 415.2067@2.9243336 "(414.19925, 4128.4067)(415.20312, 741.1633)" 415.2067@2.9243336 FindByFormula - 415.2067 2.9243336 416.2521@16.509499 "(417.2613, 2824.32)(418.26254, 763.1)(419.2561, 706.52997)" 416.2521@16.509499 FindByFormula + 416.2521 16.509499 417.151@7.5074997 "(418.15924, 6658.065)(419.16467, 1643.595)(420.16705, 228.61002)" 417.151@7.5074997 FindByFormula + 417.151 7.5074997 417.2162@11.85975 "(418.22244, 1877.88)(419.22766, 685.32)" 417.2162@11.85975 FindByFormula + 417.2162 11.85975 418.2709@17.882 "(419.27725, 35790.16)(420.28076, 9230.61)(421.2812, 2815.1)(422.2794, 329.09)(423.2839, 60.44)" 418.2709@17.882 FindByFormula + 418.2709 17.882 418.3076@10.1605 "(419.31442, 832.215)(420.3167, 410.92752)" 418.3076@10.1605 FindByFormula + 418.3076 10.1605 418.308@20.217001 "(859.59766, 3423.69)(860.60675, 2190.595)(419.31555, 8690.205)(420.31955, 2465.145)(421.3186, 515.62)(441.298, 8823.644)(442.303, 2144.8865)(443.31238, 183.38335)" 418.308@20.217001 FindByFormula + 418.308 20.217001 419.1826@1.0799999 "(458.155, 495.92)(459.1499, 120.85)(442.1776, 1049.9299)(443.18085, 408.075)" 419.1826@1.0799999 FindByFormula + 419.1826 1.0799999 420.1688@15.5355 "(421.1774, 3375.01)(422.17865, 846.105)(423.18127, 235.98001)" 420.1688@15.5355 FindByFormula + 420.1688 15.5355 420.2744@17.116 "(421.28278, 1439.26)(422.27496, 212.88)" 420.2744@17.116 FindByFormula + 420.2744 17.116 421.099@1.326 "(422.10565, 3453.1099)(423.10657, 1081.655)" 421.099@1.326 FindByFormula + 421.099 1.326 421.3169@25.7205 "(865.619, 8385.138)(866.63074, 3953.4084)(867.63617, 1335.9957)(422.32413, 743.74)(423.3203, 163.20248)" 421.3169@25.7205 FindByFormula + 421.3169 25.7205 422.1717@13.488001 "(423.17764, 1637.95)(424.1789, 519.26)" 422.1717@13.488001 FindByFormula + 422.1717 13.488001 422.1719@12.538699 "(423.17767, 1629.5051)(424.18195, 556.096)" 422.1719@12.538699 FindByFormula + 422.1719 12.538699 423.1858@8.4685 "(424.19305, 22776.86)(425.20117, 5638.04)(426.2017, 2095.355)(462.1471, 4514.99)(463.1507, 958.62)(464.1458, 597.35)(446.1758, 18901.629)(447.18115, 4689.275)(448.1702, 2151.63)" 423.1858@8.4685 FindByFormula + 423.1858 8.4685 424.0745@9.233 "(423.07074, 3055.6099)(424.0727, 758.72)" 424.0745@9.233 FindByFormula - 424.0745 9.233 424.114@12.2745 "(213.06589, 1414.11)(213.56445, 691.555)" 424.114@12.2745 FindByFormula + 424.114 12.2745 424.1448@11.487249 "(425.15002, 42168.062)(426.15375, 10334.984)(427.14883, 3604.58)(428.1352, 1753.58)" 424.1448@11.487249 FindByFormula + 424.1448 11.487249 424.3155@26.011002 "(423.30835, 926.465)(424.31195, 271.995)" 424.3155@26.011002 FindByFormula - 424.3155 26.011002 425.0923@10.285 "(426.10028, 3908.9653)(427.10037, 624.705)(428.09665, 412.6725)" 425.0923@10.285 FindByFormula + 425.0923 10.285 425.1329@11.838641 "(426.13922, 86723.64)(427.13678, 41100.023)" 425.1329@11.838641 FindByFormula + 425.1329 11.838641 425.2009@8.55 "(424.19446, 2928.305)(425.2011, 572.59)(426.1977, 262.56)" 425.2009@8.55 FindByFormula - 425.2009 8.55 425.3499@15.502501 "(426.35684, 5591.565)(427.3612, 1816.7051)(428.362, 200.125)(448.342, 532.22)" 425.3499@15.502501 FindByFormula + 425.3499 15.502501 426.1325@11.318251 "(427.14197, 3840.07)(428.14166, 1100.19)" 426.1325@11.318251 FindByFormula + 426.1325 11.318251 426.1341@2.5283334 "(427.14102, 17672.92)(428.14368, 4381.2886)(429.14523, 530.1225)(449.12247, 263.03665)" 426.1341@2.5283334 FindByFormula + 426.1341 2.5283334 426.2125@3.3385 "(427.21954, 1989.98)(428.2226, 610.095)" 426.2125@3.3385 FindByFormula + 426.2125 3.3385 427.162@1.137 "(428.1714, 4724.135)(429.17215, 1323.335)" 427.162@1.137 FindByFormula + 427.162 1.137 428.255@10.632999 "(429.2622, 7455.02)(430.26685, 2162.7434)(451.24286, 1764.26)" 428.255@10.632999 FindByFormula + 428.255 10.632999 428.2649@8.003 "(429.27084, 4136.94)(430.27313, 1307.845)(431.26483, 526.4)(451.2553, 5159.95)(452.2492, 837.28)" 428.2649@8.003 FindByFormula + 428.2649 8.003 428.3231@24.646666 "(429.33066, 4464.457)(430.33353, 1162.8834)(431.33893, 260.22)" 428.3231@24.646666 FindByFormula + 428.3231 24.646666 429.289@10.3095 "(430.29407, 8906.49)(431.29724, 3014.605)" 429.289@10.3095 FindByFormula + 429.289 10.3095 429.3084@10.7023325 "(430.3157, 7175.4937)(431.321, 2088.55)(432.32022, 441.16666)(468.2695, 445.9)(452.299, 795.62)" 429.3084@10.7023325 FindByFormula + 429.3084 10.7023325 429.3118@10.71375 "(430.3155, 7698.46)(431.31717, 2181.53)" 429.3118@10.71375 FindByFormula + 429.3118 10.71375 429.3226@22.07 "(428.31494, 1759.46)(429.3156, 610.115)" 429.3226@22.07 FindByFormula - 429.3226 22.07 429.3245@9.222142 "(430.33035, 6719.4165)(431.33337, 2314.1433)(432.33878, 316.56003)(452.31024, 5003.102)(453.3108, 1704.292)" 429.3245@9.222142 FindByFormula + 429.3245 9.222142 429.3806@15.3545 "(430.3868, 834.04)(431.3924, 282.26)(452.3709, 1954.24)(453.3736, 720.98)(454.3632, 222.98)" 429.3806@15.3545 FindByFormula + 429.3806 15.3545 429.3811@16.145666 "(430.38837, 1823.7019)(431.392, 626.598)(452.37082, 3902.0432)(453.37418, 1234.8334)" 429.3811@16.145666 FindByFormula + 429.3811 16.145666 429.8524@27.342001 "(430.86032, 4019.3933)(431.86072, 921.48785)(432.8551, 688.2644)" 429.8524@27.342001 FindByFormula + 429.8524 27.342001 429.8538@27.310596 "(430.86026, 2988.5515)(431.86093, 728.3876)(432.85492, 449.48993)(468.81448, 347.35336)" 429.8538@27.310596 FindByFormula + 429.8538 27.310596 429.9065@26.90375 "(898.7749, 206.85)(430.91418, 2704.56)(431.918, 236.6375)(432.917, 257.87)" 429.9065@26.90375 FindByFormula + 429.9065 26.90375 430.1797@14.5386 "(431.18658, 2304.9978)(432.18863, 604.67596)" 430.1797@14.5386 FindByFormula + 430.1797 14.5386 430.2476@7.117333 "(429.2401, 2472.5999)(430.23987, 780.03)" 430.2476@7.117333 FindByFormula - 430.2476 7.117333 432.2406@8.230499 "(433.2467, 3897.5898)(434.24945, 1123.1599)(435.25, 612.82996)(455.2315, 8980.09)(456.2379, 2399.74)" 432.2406@8.230499 FindByFormula + 432.2406 8.230499 434.1808@1.1835 "(435.19287, 1126.775)(436.18796, 386.14502)" 434.1808@1.1835 FindByFormula + 434.1808 1.1835 434.2415@17.599669 "(435.2511, 11188.253)(436.2548, 2818.2)(437.24295, 1089.0566)" 434.2415@17.599669 FindByFormula + 434.2415 17.599669 434.2661@15.275 "(435.2713, 970.01)(436.27924, 432.41998)" 434.2661@15.275 FindByFormula + 434.2661 15.275 435.2982@11.4285 "(436.30573, 1386.835)(437.3097, 747.85)" 435.2982@11.4285 FindByFormula + 435.2982 11.4285 436.2283@7.5642 "(873.4555, 65.08)(437.23575, 49063.895)(438.23917, 10554.0625)(439.2392, 2309.0442)(440.2472, 463.58)" 436.2283@7.5642 FindByFormula + 436.2283 7.5642 436.3183@9.594 "(437.329, 953.48)(459.30585, 1323.72)(460.3122, 318.05502)" 436.3183@9.594 FindByFormula + 436.3183 9.594 437.2622@1.8310001 "(438.266, 5462.6426)(439.2698, 1596.1274)(460.5011, 2229.285)(461.2473, 762.48663)(462.2626, 445.09)" 437.2622@1.8310001 FindByFormula + 437.2622 1.8310001 438.1415@22.359 "(439.14893, 993.82)(440.1485, 309.73)(441.1467, 310.22)" 438.1415@22.359 FindByFormula + 438.1415 22.359 438.2893@15.3165 "(437.28284, 2293.75)(438.28833, 544.475)" 438.2893@15.3165 FindByFormula - 438.2893 15.3165 438.3116@12.983 "(439.3212, 1572.04)(440.325, 443.61)" 438.3116@12.983 FindByFormula + 438.3116 12.983 439.3056@15.0251665 "(440.31277, 4559.7295)(441.3024, 1854.8541)(442.30835, 679.45667)(478.26294, 1858.875)(462.2959, 6504.7314)(463.29825, 1621.816)" 439.3056@15.0251665 FindByFormula + 439.3056 15.0251665 440.1241@11.601666 "(441.13147, 2208.0266)(442.13684, 730.51)(443.1335, 379.43)" 440.1241@11.601666 FindByFormula + 440.1241 11.601666 441.2714@3.659 "(464.25964, 1293.125)(465.26062, 380.38)" 441.2714@3.659 FindByFormula + 441.2714 3.659 441.2981@1.138 "(442.2999, 1655.7349)(443.30264, 606.59503)" 441.2981@1.138 FindByFormula + 441.2981 1.138 442.7666@1.1215 "(886.5324, 3643.2275)(887.53534, 1769.5874)(888.52325, 708.05)(924.4917, 604.33496)(925.4877, 176.09999)(926.4834, 44.27)(908.5122, 1487.3877)(909.51556, 476.03748)(910.4997, 173.29333)(443.77286, 990.195)(444.76984, 216.39249)" 442.7666@1.1215 FindByFormula + 442.7666 1.1215 443.0441@1.186 "(444.0523, 2914.3)(445.0564, 728.6)(466.034, 1517.735)(467.0432, 422.3)" 443.0441@1.186 FindByFormula + 443.0441 1.186 443.2413@7.61425 "(442.2353, 697.63745)(443.23666, 202.23)" 443.2413@7.61425 FindByFormula - 443.2413 7.61425 443.2585@8.624667 "(444.26196, 13874.694)(445.26306, 3865.4236)(446.2662, 731.6067)" 443.2585@8.624667 FindByFormula + 443.2585 8.624667 443.3097@1.5 "(222.6645, 322.35)(223.1661, 136.98)(444.31485, 677.5833)(445.31714, 200.82332)" 443.3097@1.5 FindByFormula + 443.3097 1.5 444.2309@9.2885 "(445.23602, 1856.335)(446.24243, 536.745)" 444.2309@9.2885 FindByFormula + 444.2309 9.2885 445.1627@8.4055 "(446.17194, 4134.725)(447.18164, 1943.0901)" 445.1627@8.4055 FindByFormula + 445.1627 8.4055 445.1627@8.7585 "(446.17407, 1763.4651)(447.17712, 862.175)" 445.1627@8.7585 FindByFormula + 445.1627 8.7585 445.1648@8.7585 "(446.17407, 1763.4651)(447.17712, 862.175)" 445.1648@8.7585 FindByFormula + 445.1648 8.7585 445.1662@9.8376665 "(446.17514, 3434.3333)(447.17627, 1077.6)(468.1558, 17205.6)(469.16, 4983.22)(470.1656, 2913.2)" 445.1662@9.8376665 FindByFormula + 445.1662 9.8376665 445.202@7.259 "(446.2069, 1903.075)(447.21167, 814.38)(468.18515, 772.47)" 445.202@7.259 FindByFormula + 445.202 7.259 445.2583@7.7425003 "(444.24963, 1784.53)(445.24823, 568.67)" 445.2583@7.7425003 FindByFormula - 445.2583 7.7425003 445.2589@6.7945 "(444.25092, 947.225)(445.2495, 244.37)" 445.2589@6.7945 FindByFormula - 445.2589 6.7945 445.2668@1.1236666 "(446.26807, 1924.96)(447.27188, 459.34335)(448.261, 320.91)" 445.2668@1.1236666 FindByFormula + 445.2668 1.1236666 446.1905@9.555667 "(445.18738, 2490.89)(446.1915, 637.96)" 446.1905@9.555667 FindByFormula - 446.1905 9.555667 446.2313@10.020667 "(447.2432, 2746.7168)(448.24326, 778.7266)(449.2399, 607.66)" 446.2313@10.020667 FindByFormula + 446.2313 10.020667 446.2346@11.393666 "(224.12663, 2570.7368)(224.62544, 756.07666)(225.13005, 147.36)(447.2438, 8141.037)(448.24472, 2146.7234)(469.23682, 485.215)" 446.2346@11.393666 FindByFormula + 446.2346 11.393666 446.235@10.0312 "(224.1262, 1876.14)(224.6287, 340.96)(447.24405, 3423.664)(448.24258, 912.5721)(449.2403, 313.14)" 446.235@10.0312 FindByFormula + 446.235 10.0312 446.279@24.319399 "(893.5691, 223.64)(447.28693, 2659.196)(448.28973, 849.53204)(449.2876, 248.663)" 446.279@24.319399 FindByFormula + 446.279 24.319399 446.2941@19.6725 "(447.3031, 812.76)(448.30936, 440.825)" 446.2941@19.6725 FindByFormula + 446.2941 19.6725 447.2287@11.8664 "(448.23505, 3080.6582)(449.236, 855.334)(450.2418, 252.68198)" 447.2287@11.8664 FindByFormula + 447.2287 11.8664 447.2451@6.8513336 "(895.49414, 7477.59)(896.4876, 3339.2234)(897.4996, 163.95)(917.4775, 3178.18)(918.4756, 2978.13)(448.25345, 2420.49)(449.25354, 934.9367)(450.2534, 455.77)" 447.2451@6.8513336 FindByFormula + 447.2451 6.8513336 447.2978@10.285666 "(448.3052, 1479.3016)(449.30737, 544.55)" 447.2978@10.285666 FindByFormula + 447.2978 10.285666 447.7388@7.1085 "(896.4772, 16522.594)(897.4771, 6461.3623)(898.4696, 1462.1499)(918.4616, 20280.604)(919.4651, 8849.934)(920.4631, 1877.41)(448.74744, 2733.205)(449.7437, 725.2125)" 447.7388@7.1085 FindByFormula + 447.7388 7.1085 448.1476@1.1835 "(449.1529, 1793.8501)(450.15875, 657.49)" 448.1476@1.1835 FindByFormula + 448.1476 1.1835 448.2514@13.717501 "(449.25974, 2011.9199)(450.25906, 582.855)" 448.2514@13.717501 FindByFormula + 448.2514 13.717501 449.3101@11.5776005 "(450.31964, 338.14)(472.30054, 6006.0977)(473.3046, 1671.068)(474.29825, 590.37)" 449.3101@11.5776005 FindByFormula + 449.3101 11.5776005 449.7573@6.909 "(450.75806, 1177.235)(451.76505, 611.58)" 449.7573@6.909 FindByFormula + 449.7573 6.909 450.2165@8.080777 "(449.20834, 11004.805)(450.21082, 2714.3057)(451.21378, 598.00665)" 450.2165@8.080777 FindByFormula - 450.2165 8.080777 451.2755@6.713333 "(452.2836, 2743.585)(453.287, 801.895)(454.2998, 61.82)(474.264, 1982.6068)(475.26114, 633.79333)" 451.2755@6.713333 FindByFormula + 451.2755 6.713333 451.3038@9.341 "(452.31015, 5637.3)(453.3137, 2130.62)(454.3166, 954.66)" 451.3038@9.341 FindByFormula + 451.3038 9.341 451.3062@9.3071995 "(452.31192, 6920.797)(453.31387, 2151.343)(454.31802, 635.55597)" 451.3062@9.3071995 FindByFormula + 451.3062 9.3071995 451.3644@15.7112 "(452.372, 2429.95)(453.37442, 814.632)" 451.3644@15.7112 FindByFormula + 451.3644 15.7112 451.8753@0.6342667 "(452.88168, 3157.2373)(453.8809, 719.4233)(454.8781, 542.04535)" 451.8753@0.6342667 FindByFormula + 451.8753 0.6342667 452.1555@1.1935 "(475.14337, 2456.04)(476.148, 725.775)" 452.1555@1.1935 FindByFormula + 452.1555 1.1935 452.1585@24.018 "(453.16666, 1597.0834)(454.16846, 520.61334)" 452.1585@24.018 FindByFormula + 452.1585 24.018 452.1589@13.0305605 "(453.1677, 56588.44)(454.17117, 15700.0625)" 452.1589@13.0305605 FindByFormula + 452.1589 13.0305605 452.2632@8.832001 "(453.27136, 30676.234)(454.27368, 8042.87)" 452.2632@8.832001 FindByFormula + 452.2632 8.832001 453.1634@13.025715 "(454.17133, 16591.59)(455.1686, 7182.866)" 453.1634@13.025715 FindByFormula + 453.1634 13.025715 453.2809@14.52816 "(452.27524, 35400.156)(453.27847, 8516.195)(454.27948, 1617.0078)" 453.2809@14.52816 FindByFormula - 453.2809 14.52816 453.3197@9.645667 "(454.32547, 4935.03)(455.3269, 1416.18)(456.32678, 461.46002)(476.3084, 1019.33)" 453.3197@9.645667 FindByFormula + 453.3197 9.645667 454.0954@9.646501 "(453.08524, 2523.8767)(454.08804, 639.5683)(455.0873, 341.68997)" 454.0954@9.646501 FindByFormula - 454.0954 9.646501 454.1099@6.5515 "(455.1173, 5651.8047)(456.1219, 1413.575)" 454.1099@6.5515 FindByFormula + 454.1099 6.5515 454.1491@12.93425 "(455.1602, 75.34)(493.11374, 770.975)(494.1205, 312.97003)(495.1267, 36.38)" 454.1491@12.93425 FindByFormula + 454.1491 12.93425 454.1501@11.844501 "(455.15588, 2119.0825)(456.15753, 946.3474)(457.15396, 512.9475)(493.11536, 3927.79)(494.11697, 1179.05)(495.11786, 300.69998)" 454.1501@11.844501 FindByFormula + 454.1501 11.844501 454.1896@3.1069999 "(228.10156, 1257.83)(228.6048, 347.28497)" 454.1896@3.1069999 FindByFormula + 454.1896 3.1069999 454.2921@9.57 "(453.28387, 3078.93)(454.28705, 799.355)" 454.2921@9.57 FindByFormula - 454.2921 9.57 454.3191@25.900997 "(455.3278, 2557.2622)(456.33115, 1003.444)(457.33994, 450.60797)(477.31113, 418.0825)" 454.3191@25.900997 FindByFormula + 454.3191 25.900997 455.2752@7.03 "(454.26965, 826.01)(455.26978, 298.325)" 455.2752@7.03 FindByFormula - 455.2752 7.03 455.2758@7.03 "(454.26965, 826.01)(455.26978, 298.325)" 455.2758@7.03 FindByFormula - 455.2758 7.03 455.3024@9.88875 "(456.31, 6823.327)(457.3117, 2251.025)(458.31317, 396.915)" 455.3024@9.88875 FindByFormula + 455.3024 9.88875 456.125@3.2223332 "(457.13217, 4170.07)(458.13614, 1047.96)(459.1358, 384.165)" 456.125@3.2223332 FindByFormula + 456.125 3.2223332 456.1947@15.118626 "(457.203, 4605.6)(458.20566, 1155.6663)" 456.1947@15.118626 FindByFormula + 456.1947 15.118626 456.2812@21.289501 "(457.2889, 1303.87)(458.29236, 464.53998)" 456.2812@21.289501 FindByFormula + 456.2812 21.289501 456.3355@8.614666 "(455.3287, 1870.5201)(456.33194, 614.87335)" 456.3355@8.614666 FindByFormula - 456.3355 8.614666 456.3364@8.591666 "(457.34116, 2747.2402)(458.34012, 838.31006)(459.3431, 149.58)(479.3234, 3754.15)" 456.3364@8.591666 FindByFormula + 456.3364 8.591666 457.3015@11.448 "(458.30774, 1894.14)(459.30835, 790.845)" 457.3015@11.448 FindByFormula + 457.3015 11.448 457.3404@11.82 "(458.34665, 5163.605)(459.3509, 1608.62)(460.3452, 218.64001)" 457.3404@11.82 FindByFormula + 457.3404 11.82 457.4118@17.278 "(458.42267, 1092.7)(459.4141, 376.005)(480.40015, 2406.2698)(481.40317, 762.1667)(482.3955, 710.04)" 457.4118@17.278 FindByFormula + 457.4118 17.278 458.2736@7.7168336 "(955.4934, 235.13)(459.28098, 1329.515)(460.2748, 679.74664)(461.2818, 33.96)(497.2372, 2620.84)(498.2414, 748.80505)(499.23434, 358.71286)(481.26315, 37711.61)(482.2654, 9160.014)(483.26483, 2132.1108)" 458.2736@7.7168336 FindByFormula + 458.2736 7.7168336 458.3002@10.8835 "(459.3057, 2301.65)(460.31427, 811.66003)" 458.3002@10.8835 FindByFormula + 458.3002 10.8835 458.301@10.360333 "(459.3077, 6433.6934)(460.3102, 1964.27)(461.3132, 309.44)" 458.301@10.360333 FindByFormula + 458.301 10.360333 458.3014@10.339666 "(459.30823, 6166.07)(460.31046, 1962.9166)(461.30453, 204.46333)" 458.3014@10.339666 FindByFormula + 458.3014 10.339666 459.2714@7.8346667 "(460.27905, 4065.5632)(461.27847, 969.61005)(462.2636, 337.21)(482.2612, 38315.52)(483.2624, 7990.19)(484.2667, 1106.75)" 459.2714@7.8346667 FindByFormula + 459.2714 7.8346667 459.2717@7.668466 "(458.2643, 2375.9412)(459.2642, 586.0433)" 459.2717@7.668466 FindByFormula - 459.2717 7.668466 459.3535@12.7515 "(460.36105, 1227.81)(461.3613, 256.68)" 459.3535@12.7515 FindByFormula + 459.3535 12.7515 461.2572@13.4065 "(462.26154, 3924.84)(463.26416, 1054.365)" 461.2572@13.4065 FindByFormula + 461.2572 13.4065 461.2906@14.4015 "(462.2977, 951.54004)(463.30176, 370.94)" 461.2906@14.4015 FindByFormula + 461.2906 14.4015 461.3347@11.5855 "(462.33893, 1896.2224)(463.3462, 631.39)(484.32486, 2891.5432)(485.3244, 991.15)" 461.3347@11.5855 FindByFormula + 461.3347 11.5855 461.3494@8.9475 "(462.3587, 4199.89)(463.36188, 1402.72)(464.3601, 323.74)" 461.3494@8.9475 FindByFormula + 461.3494 8.9475 461.8287@27.934 "(462.8357, 1031.915)(463.83356, 423.535)" 461.8287@27.934 FindByFormula + 461.8287 27.934 461.8291@27.022999 "(462.83582, 1716.77)(463.8356, 647.6)" 461.8291@27.022999 FindByFormula + 461.8291 27.022999 461.8305@28.7195 "(462.8366, 389.09)(463.83954, 172.69)" 461.8305@28.7195 FindByFormula + 461.8305 28.7195 462.2004@8.9535 "(463.20813, 11044.98)(464.2116, 3181.6575)(465.21732, 648.04504)(485.19092, 547.56)" 462.2004@8.9535 FindByFormula + 462.2004 8.9535 462.239@7.307 "(461.2296, 940.555)(462.2348, 294.365)" 462.239@7.307 FindByFormula - 462.239 7.307 462.2954@17.8325 "(463.30273, 130381.17)(464.3058, 38264.98)(465.30872, 6079.425)" 462.2954@17.8325 FindByFormula + 462.2954 17.8325 463.1867@9.241 "(464.1988, 1763.095)(465.19507, 702.905)(466.1967, 137.97)(486.17407, 979.20996)" 463.1867@9.241 FindByFormula + 463.1867 9.241 463.3034@15.749001 "(462.29645, 6905.3135)(463.29883, 1845.7542)(464.30478, 361.544)" 463.3034@15.749001 FindByFormula - 463.3034 15.749001 463.3302@12.910999 "(464.337, 2205.79)(465.34186, 850.57)" 463.3302@12.910999 FindByFormula + 463.3302 12.910999 464.2177@15.4609995 "(465.22577, 3229.4624)(466.2281, 1043.7325)" 464.2177@15.4609995 FindByFormula + 464.2177 15.4609995 464.2279@22.0105 "(465.23523, 2832.5051)(466.23883, 810.055)" 464.2279@22.0105 FindByFormula + 464.2279 22.0105 465.149@11.3355 "(233.58234, 863.715)(234.08224, 259.225)" 465.149@11.3355 FindByFormula + 465.149 11.3355 465.3082@10.295555 "(931.61914, 223.91667)(969.56775, 278.93)(970.5658, 136.71)(466.31345, 677.5)(467.31815, 230.68999)(488.29764, 11351.155)(489.30246, 3372.9922)(490.3026, 810.6945)" 465.3082@10.295555 FindByFormula + 465.3082 10.295555 466.2478@20.598 "(467.254, 1591.1635)(468.26184, 447.75833)" 466.2478@20.598 FindByFormula + 466.2478 20.598 466.3063@26.321201 "(465.3021, 1946.8959)(466.30524, 637.396)(467.30273, 199.49333)" 466.3063@26.321201 FindByFormula - 466.3063 26.321201 466.3093@24.0076 "(465.30215, 4531.3037)(466.30548, 1445.088)(467.30795, 613.828)" 466.3093@24.0076 FindByFormula - 466.3093 24.0076 466.7396@8.088 "(934.48376, 2046.7849)(935.4906, 1554.485)(467.7528, 840.79)" 466.7396@8.088 FindByFormula + 466.7396 8.088 467.2985@8.816599 "(468.3038, 7945.198)(469.30234, 2490.3718)(470.30353, 700.2)(490.2811, 730.82)" 467.2985@8.816599 FindByFormula + 467.2985 8.816599 467.2999@12.862334 "(468.30798, 13305.651)(469.3109, 3283.2117)(470.31006, 637.94)(506.26266, 1182.8517)(490.2893, 17313.049)(491.28992, 4264.2397)(492.2938, 983.61395)" 467.2999@12.862334 FindByFormula + 467.2999 12.862334 468.38@21.993668 "(467.3716, 2611.1233)(468.3756, 817.98334)" 468.38@21.993668 FindByFormula - 468.38 21.993668 469.1057@1.1736666 "(470.1121, 4134.277)(471.11447, 1381.2866)(472.1132, 408.11667)(492.0991, 863.41)(493.095, 360.55)" 469.1057@1.1736666 FindByFormula + 469.1057 1.1736666 469.2527@12.6495 "(235.63559, 1563.855)(236.13174, 517.915)" 469.2527@12.6495 FindByFormula + 469.2527 12.6495 469.3347@15.728168 "(470.34378, 3752.3018)(471.34604, 1122.0099)(472.34335, 320.36334)" 469.3347@15.728168 FindByFormula + 469.3347 15.728168 470.2326@10.9135 "(469.2243, 1066.715)(470.228, 233.485)" 470.2326@10.9135 FindByFormula - 470.2326 10.9135 470.2784@1.109 "(471.29205, 10162.25)(472.2883, 4611.49)(473.2799, 3085.0652)(509.2414, 5444.86)" 470.2784@1.109 FindByFormula + 470.2784 1.109 470.3556@22.492 "(471.3613, 1227.62)(472.36545, 363.755)" 470.3556@22.492 FindByFormula + 470.3556 22.492 471.2354@1.6306 "(472.2431, 2815.894)(473.24057, 1212.3579)(494.2206, 1322.77)" 471.2354@1.6306 FindByFormula + 471.2354 1.6306 471.238@9.2375 "(472.2471, 15288.035)(473.252, 4695.445)(510.1971, 2213.3252)(494.22845, 11986.564)(495.2272, 3798.3252)(496.235, 1419.105)" 471.238@9.2375 FindByFormula + 471.238 9.2375 471.2388@1.6926666 "(472.24423, 1751.1832)(473.2438, 709.25995)(510.202, 178.99)(494.22528, 559.605)" 471.2388@1.6926666 FindByFormula + 471.2388 1.6926666 471.2734@7.855 "(470.2655, 2183.59)(471.26477, 610.735)" 471.2734@7.855 FindByFormula - 471.2734 7.855 471.2815@7.1235 "(943.5673, 46096.62)(944.5689, 29600.07)(945.5583, 9416.93)(472.2856, 4686.23)(473.2826, 2697.33)" 471.2815@7.1235 FindByFormula + 471.2815 7.1235 471.3319@14.000667 "(472.3395, 1475.6766)(473.33975, 568.13995)" 471.3319@14.000667 FindByFormula + 471.3319 14.000667 472.0996@5.2805 "(473.10675, 6050.66)(474.11047, 1163.375)(475.1094, 499.255)" 472.0996@5.2805 FindByFormula + 472.0996 5.2805 472.2461@11.109858 "(471.2387, 2778.1057)(472.24222, 796.81854)(473.2429, 282.64142)" 472.2461@11.109858 FindByFormula - 472.2461 11.109858 472.2471@10.831202 "(471.24005, 3949.004)(472.24356, 1135.322)(473.24237, 410.695)(474.2566, 20.73)" 472.2471@10.831202 FindByFormula - 472.2471 10.831202 472.2477@11.53125 "(471.23892, 2886.435)(472.24237, 800.0775)(473.2415, 353.0)(474.2395, 35.47)" 472.2477@11.53125 FindByFormula - 472.2477 11.53125 472.267@7.0575 "(473.27005, 884.83496)(474.2671, 465.19)(495.2586, 4358.34)(496.2574, 1926.25)(497.2422, 761.02)" 472.267@7.0575 FindByFormula + 472.267 7.0575 472.3018@2.8505 "(473.30615, 1979.79)(474.30566, 720.83997)(495.29095, 9717.035)(496.29742, 2987.205)(497.29724, 673.595)" 472.3018@2.8505 FindByFormula + 472.3018 2.8505 472.3164@12.0135 "(471.30856, 1943.2051)(472.31232, 721.04004)" 472.3164@12.0135 FindByFormula - 472.3164 12.0135 473.254@6.8950005 "(472.247, 1490.77)(473.2484, 423.1825)" 473.254@6.8950005 FindByFormula - 473.254 6.8950005 473.2673@1.1833334 "(474.27725, 3136.6902)(475.2754, 1828.9268)(476.2727, 1733.4249)" 473.2673@1.1833334 FindByFormula + 473.2673 1.1833334 473.3127@9.266999 "(474.31973, 1327.2899)(475.31848, 568.8625)" 473.3127@9.266999 FindByFormula + 473.3127 9.266999 473.3146@9.2955 "(474.3227, 1036.365)(475.3153, 489.425)" 473.3146@9.2955 FindByFormula + 473.3146 9.2955 473.8267@27.345034 "(474.83383, 13062.212)(475.8361, 1242.8265)(476.8335, 709.88226)" 473.8267@27.345034 FindByFormula + 473.8267 27.345034 473.8272@27.360575 "(474.83398, 13807.538)(475.83636, 1316.1606)(476.8337, 709.4584)" 473.8272@27.360575 FindByFormula + 473.8272 27.360575 473.8273@27.35592 "(474.83398, 13510.669)(475.83633, 1287.2987)(476.83356, 733.52496)" 473.8273@27.35592 FindByFormula + 473.8273 27.35592 474.1367@1.2323333 "(475.14404, 3226.5999)(476.14917, 402.77)(497.1302, 569.12)(498.1343, 249.65)" 474.1367@1.2323333 FindByFormula + 474.1367 1.2323333 474.2661@1.138 "(475.27914, 1159.22)(513.23126, 3178.6)(514.23425, 899.14)(515.228, 421.30002)" 474.2661@1.138 FindByFormula + 474.2661 1.138 474.3312@11.582001 "(475.3392, 13528.621)(476.3419, 4340.527)(477.34006, 813.8967)" 474.3312@11.582001 FindByFormula + 474.3312 11.582001 475.2242@1.1585 "(476.2363, 793.41)(477.2283, 334.97)(478.2317, 306.27)(498.2083, 1349.82)(499.228, 811.05)" 475.2242@1.1585 FindByFormula + 475.2242 1.1585 476.3089@19.795 "(477.3179, 2444.075)(478.32312, 720.30005)(479.3107, 125.71)" 476.3089@19.795 FindByFormula + 476.3089 19.795 476.3118@18.763 "(477.31848, 17093.36)(478.32178, 4853.69)" 476.3118@18.763 FindByFormula + 476.3118 18.763 477.2614@15.658 "(478.26923, 2675.425)(479.28024, 967.57996)(480.26965, 218.87)" 477.2614@15.658 FindByFormula + 477.2614 15.658 477.8161@27.357998 "(478.82092, 1370.695)(479.81808, 289.95752)" 477.8161@27.357998 FindByFormula + 477.8161 27.357998 478.1632@20.483501 "(479.16968, 3265.505)(480.1752, 1332.94)(481.17303, 347.63)" 478.1632@20.483501 FindByFormula + 478.1632 20.483501 478.2048@9.6695 "(479.21085, 3547.27)(480.21136, 1301.9099)(481.2098, 2893.13)" 478.2048@9.6695 FindByFormula + 478.2048 9.6695 478.275@8.949666 "(479.28183, 2533.32)(480.28345, 746.9367)(481.2701, 482.98)" 478.275@8.949666 FindByFormula + 478.275 8.949666 479.2457@1.255 "(480.24805, 1309.175)(481.2545, 614.905)(482.2609, 27.45)" 479.2457@1.255 FindByFormula + 479.2457 1.255 479.2965@15.005701 "(478.29102, 13507.472)(479.29434, 3488.8367)(480.3019, 1221.7217)(481.30978, 618.3833)(482.3141, 82.285)" 479.2965@15.005701 FindByFormula - 479.2965 15.005701 480.2004@1.1983333 "(481.20346, 1751.0)(482.21533, 888.31)(503.1842, 1376.01)(504.1769, 721.52)" 480.2004@1.1983333 FindByFormula + 480.2004 1.1983333 480.2145@12.900334 "(481.2202, 1374.7433)(482.22168, 379.75)" 480.2145@12.900334 FindByFormula + 480.2145 12.900334 480.2523@7.71525 "(481.2639, 35283.953)(482.26575, 8773.16)(483.2685, 1872.5049)" 480.2523@7.71525 FindByFormula + 480.2523 7.71525 481.2525@8.1545 "(482.2622, 6147.3647)(483.25415, 1595.75)(484.2597, 99.85)(504.2404, 71.86)" 481.2525@8.1545 FindByFormula + 481.2525 8.1545 481.3122@14.815667 "(480.30493, 2577.2834)(481.306, 719.2033)(482.30884, 103.6)" 481.3122@14.815667 FindByFormula - 481.3122 14.815667 482.1983@1.1385 "(483.20865, 2965.8352)(484.2036, 953.62)" 482.1983@1.1385 FindByFormula + 482.1983 1.1385 482.2004@14.143666 "(483.20602, 1521.9834)(484.20493, 451.09668)" 482.2004@14.143666 FindByFormula + 482.2004 14.143666 482.2681@7.474 "(987.52814, 7864.375)(988.52704, 5200.425)" 482.2681@7.474 FindByFormula + 482.2681 7.474 483.845@0.5025 "(484.8501, 826.94)(485.8552, 412.095)" 483.845@0.5025 FindByFormula + 483.845 0.5025 484.2738@8.7575 "(483.26385, 3116.46)(484.26538, 824.79)" 484.2738@8.7575 FindByFormula - 484.2738 8.7575 484.3241@13.2630005 "(507.31354, 5707.8447)(508.31702, 1719.39)(509.31256, 441.38998)" 484.3241@13.2630005 FindByFormula + 484.3241 13.2630005 484.3518@21.547 "(485.35895, 2089.495)(486.35858, 1024.165)(487.35193, 126.835)" 484.3518@21.547 FindByFormula + 484.3518 21.547 484.7691@7.0765 "(485.7727, 471.18)(486.78296, 185.26999)" 484.7691@7.0765 FindByFormula + 484.7691 7.0765 485.246@9.4705 "(243.6324, 3217.585)(244.13199, 1100.655)(486.2559, 1269.71)" 485.246@9.4705 FindByFormula + 485.246 9.4705 485.2898@15.771501 "(486.29758, 5334.902)(487.30008, 1778.0566)" 485.2898@15.771501 FindByFormula + 485.2898 15.771501 486.1707@0.973 "(487.1786, 4568.285)(488.18347, 1522.6699)(489.1751, 404.79498)(509.15787, 4792.8965)(510.16458, 1273.59)" 486.1707@0.973 FindByFormula + 486.1707 0.973 486.2867@7.4353333 "(485.27682, 2593.3967)(486.27646, 579.39667)" 486.2867@7.4353333 FindByFormula - 486.2867 7.4353333 486.2871@22.889334 "(485.2808, 1095.6533)(486.28397, 359.82666)" 486.2871@22.889334 FindByFormula - 486.2871 22.889334 486.2985@11.641001 "(485.2909, 1626.08)(486.29102, 634.68)" 486.2985@11.641001 FindByFormula - 486.2985 11.641001 486.3165@4.2695 "(487.3233, 2113.2651)(488.31952, 839.435)" 486.3165@4.2695 FindByFormula + 486.3165 4.2695 486.3549@19.34275 "(487.35895, 6192.7725)(488.36212, 1433.385)(489.35968, 333.605)" 486.3549@19.34275 FindByFormula + 486.3549 19.34275 487.2342@13.662001 "(975.47546, 2148.664)(976.47687, 1259.78)(977.48566, 585.73)(488.24576, 757.325)(489.2437, 314.5225)" 487.2342@13.662001 FindByFormula + 487.2342 13.662001 487.2695@8.3504 "(486.26154, 1029.8099)(487.2569, 366.832)(488.25238, 55.855)" 487.2695@8.3504 FindByFormula - 487.2695 8.3504 487.2713@6.932 "(488.2802, 1002.775)(489.2717, 347.39)(490.2691, 197.47)" 487.2713@6.932 FindByFormula + 487.2713 6.932 488.249@8.7942 "(487.23965, 2085.326)(488.24176, 628.398)" 488.249@8.7942 FindByFormula - 488.249 8.7942 488.2651@7.7524996 "(489.26947, 1111.9825)(490.27106, 283.36252)(491.2734, 283.26)" 488.2651@7.7524996 FindByFormula + 488.2651 7.7524996 488.2948@9.686001 "(489.29794, 2535.6099)(490.3021, 1064.4299)(491.3009, 183.635)" 488.2948@9.686001 FindByFormula + 488.2948 9.686001 490.1287@1.2235 "(491.13776, 5079.715)(492.13885, 1432.69)(493.149, 1061.1799)(494.144, 100.74)" 490.1287@1.2235 FindByFormula + 490.1287 1.2235 490.1362@10.078501 "(489.13055, 1089.3401)(490.1325, 327.785)" 490.1362@10.078501 FindByFormula - 490.1362 10.078501 490.2457@1.1316667 "(489.2357, 1704.2734)(490.2401, 475.2667)" 490.2457@1.1316667 FindByFormula - 490.2457 1.1316667 490.3249@19.411333 "(491.32712, 2322.7666)(492.3318, 622.7767)(493.3308, 217.74666)" 490.3249@19.411333 FindByFormula + 490.3249 19.411333 492.2831@18.3955 "(493.2928, 1698.385)(494.29572, 596.685)(495.289, 249.515)" 492.2831@18.3955 FindByFormula + 492.2831 18.3955 492.2837@18.807 "(493.29355, 2298.92)(494.29712, 564.235)(495.28857, 486.045)" 492.2837@18.807 FindByFormula + 492.2837 18.807 493.3172@13.054333 "(494.3227, 3409.745)(495.31995, 1463.025)(496.33264, 369.155)(532.2853, 381.16)(516.30493, 6309.017)(517.309, 1836.1934)(518.31775, 726.86993)" 493.3172@13.054333 FindByFormula + 493.3172 13.054333 493.3174@13.032 "(494.3217, 3257.35)(495.3166, 783.79)(496.3321, 99.3)(532.2873, 965.46)(516.30457, 7142.19)(517.3093, 2059.16)(518.3185, 730.07996)" 493.3174@13.032 FindByFormula + 493.3174 13.032 493.3546@20.585 "(494.3605, 3485.2751)(495.35962, 805.62)(496.3664, 263.28)(516.343, 2374.125)(517.3491, 751.64)(518.34924, 563.76)" 493.3546@20.585 FindByFormula + 493.3546 20.585 494.2389@7.8059998 "(495.25125, 4392.225)(496.2485, 1157.55)(497.2401, 358.42)(533.1998, 559.05)(517.22546, 14689.585)(518.2318, 3156.8298)(519.2324, 1032.28)" 494.2389@7.8059998 FindByFormula + 494.2389 7.8059998 494.2512@8.009 "(495.2583, 3243.35)(496.2576, 2054.68)(517.2427, 1495.16)(518.2326, 445.69)(519.2547, 203.19)" 494.2512@8.009 FindByFormula + 494.2512 8.009 494.2707@8.115334 "(495.277, 2269.7134)(496.27902, 1063.3866)(497.2762, 462.2)" 494.2707@8.115334 FindByFormula + 494.2707 8.115334 494.2861@2.8623333 "(495.29077, 4775.9336)(496.29654, 1428.3867)" 494.2861@2.8623333 FindByFormula + 494.2861 2.8623333 494.2936@24.508999 "(495.3013, 4033.6875)(496.30438, 1739.015)" 494.2936@24.508999 FindByFormula + 494.2936 24.508999 494.3197@7.736 "(495.33, 17945.87)(496.322, 6861.19)(497.3176, 349.63)(517.3093, 7039.795)(518.3009, 2695.5)(519.2979, 134.41)" 494.3197@7.736 FindByFormula + 494.3197 7.736 495.1752@9.881 "(496.1863, 3146.39)(497.1902, 982.4733)(498.18536, 249.725)" 495.1752@9.881 FindByFormula + 495.1752 9.881 496.2336@8.817 "(497.24002, 22066.162)(498.243, 6387.9434)(499.2533, 1687.45)" 496.2336@8.817 FindByFormula + 496.2336 8.817 496.4111@24.0215 "(495.40332, 1130.66)(496.4065, 416.485)" 496.4111@24.0215 FindByFormula - 496.4111 24.0215 497.2472@14.541301 "(498.25528, 16465.34)(499.25888, 4173.42)(500.24927, 142.54668)" 497.2472@14.541301 FindByFormula + 497.2472 14.541301 497.3484@14.167749 "(520.338, 9847.137)(521.3412, 3032.2024)" 497.3484@14.167749 FindByFormula + 497.3484 14.167749 498.2257@12.3325 "(499.2334, 2299.55)(500.23743, 833.225)(501.2449, 557.325)" 498.2257@12.3325 FindByFormula + 498.2257 12.3325 498.2827@10.5655 "(497.2746, 1526.71)(498.28046, 408.18)" 498.2827@10.5655 FindByFormula - 498.2827 10.5655 498.899@26.539 "(499.90607, 713.69)(500.90564, 340.505)" 498.899@26.539 FindByFormula + 498.899 26.539 499.3019@7.794 "(498.29642, 17259.787)(499.29947, 4870.8735)(500.295, 2170.45)" 499.3019@7.794 FindByFormula - 499.3019 7.794 499.9396@9.75 "(500.9444, 1978.905)(501.94757, 640.88)(502.94928, 504.995)" 499.9396@9.75 FindByFormula + 499.9396 9.75 4-amino-pentanoic acid "4-amino-pentanoic acid [ C5 H11 N O2, db=92.25, tgt=, overall=92.25, CAS ID=13880-74-5, METLIN ID=35942 ]" 13880-74-5 "(273.11996, 730.8664)(257.1466, 789.7842)(118.08682, 64482.332)(119.089775, 4084.7666)(120.1, 1376.55)" 4-amino-pentanoic acid FindByFormula + 117.0794 0.9610417 4-amino-pentanoic acid + 26.641058 "4-amino-pentanoic acid [ C5 H11 N O2, db=86.17, tgt=, overall=86.17, CAS ID=13880-74-5, METLIN ID=35942 ]" 13880-74-5 "(140.06847, 4228.506)(141.07063, 301.32114)" 4-amino-pentanoic acid + 26.641058 FindByFormula + 139.0615 26.641058 4-amino-pentanoic acid + 27.580502 "4-amino-pentanoic acid [ C5 H11 N O2, db=87.18, tgt=, overall=87.18, CAS ID=13880-74-5, METLIN ID=35942 ]" 13880-74-5 "(140.06805, 767.67004)(141.07155, 36.695)" 4-amino-pentanoic acid + 27.580502 FindByFormula + 139.0615 27.580502 "4'-Apo-beta,psi-caroten-4'-al" "4'-Apo-beta,psi-caroten-4'-al [ C35 H46 O, db=58.72, tgt=, overall=58.72, KEGG ID=C19892, METLIN ID=73414 ]" "(483.36368, 6197.7793)(484.36478, 1359.9584)" "4'-Apo-beta,psi-caroten-4'-al" FindByFormula + C19892 482.3566 15.4244995 4-Deoxyphysalolactone "4-Deoxyphysalolactone [ C28 H39 Cl O7, db=61.29, tgt=, overall=61.29, CAS ID=78286-00-7, HMP ID=HMDB34346, METLIN ID=89865 ]" 78286-00-7 "(523.2468, 8967.94)(524.25073, 2675.1233)(525.25055, 1393.8766)" 4-Deoxyphysalolactone FindByFormula HMDB34346 + 522.2377 19.014 4-Ethoxy-3-methoxybenzaldehyde "4-Ethoxy-3-methoxybenzaldehyde [ C10 H12 O3, db=76.13, tgt=, overall=76.13, CAS ID=120-25-2, HMP ID=HMDB29685, METLIN ID=86424 ]" 120-25-2 "(361.1689, 70.74)(181.08643, 4737.408)(182.0882, 757.2967)" 4-Ethoxy-3-methoxybenzaldehyde FindByFormula HMDB29685 + 180.0794 10.493333 "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide" "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide [ C18 H26 O8, db=75.93, tgt=, overall=75.93, CAS ID=115005-78-2, METLIN ID=2157 ]" 115005-78-2 "(369.15726, 3058.6348)(370.16028, 633.93945)" "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide" FindByFormula - 370.166 8.387165 "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide - 8.404401" "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide [ C18 H26 O8, db=76.79, tgt=, overall=76.79, CAS ID=115005-78-2, METLIN ID=2157 ]" 115005-78-2 "(369.1572, 3173.9302)(370.16022, 625.67804)" "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide - 8.404401" FindByFormula - 370.1635 8.404401 "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide - 8.908" "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide [ C18 H26 O8, db=73.86, tgt=, overall=73.86, CAS ID=115005-78-2, METLIN ID=2157 ]" 115005-78-2 "(369.15723, 2509.9175)(370.1605, 575.55505)" "4-Hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide - 8.908" FindByFormula - 370.1648 8.908 4-Hydroxybenzoic acid "4-Hydroxybenzoic acid [ C7 H6 O3, db=85.00, tgt=, overall=85.00, CAS ID=99-96-7, Lipid ID=, KEGG ID=C00156, HMP ID=HMDB00500, METLIN ID=3263, AGILENTID=6196 ]" 99-96-7 "(137.0242, 2920.236)(138.02634, 229.79)" 4-Hydroxybenzoic acid FindByFormula HMDB00500 - C00156 138.0312 9.093875 4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside "4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside [ C16 H19 N O6 S, db=93.76, tgt=, overall=93.76, CAS ID=73255-41-1, HMP ID=HMDB32802, METLIN ID=88724 ]" 73255-41-1 "(352.08475, 8812.423)(353.0879, 1743.1068)(354.08694, 560.48334)" 4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside FindByFormula HMDB32802 - 353.0915 9.933333 4-Hydroxymethyl-3-methoxyphenoxyacetic acid "4-Hydroxymethyl-3-methoxyphenoxyacetic acid [ C10 H12 O5, mfg=73.68, db=73.67, tgt=, overall=73.68, CAS ID=83590-77-6, METLIN ID=44721 ]" 83590-77-6 "(213.07526, 6686.865)(214.0788, 460.5775)(215.07042, 420.54498)(251.0308, 1127.64)(235.0576, 3013.64)(236.05383, 394.5767)" 4-Hydroxymethyl-3-methoxyphenoxyacetic acid FindByFormula + 212.0689 0.7674 4-Hydroxymidazolam glucuronide "4-Hydroxymidazolam glucuronide [ C24 H21 Cl F N3 O7, db=82.51, tgt=, overall=82.51, CAS ID=81256-82-8, METLIN ID=1298 ]" 81256-82-8 "(518.1127, 3581.6675)(519.1135, 1085.88)(520.1111, 1256.49)(540.0915, 742.75665)" 4-Hydroxymidazolam glucuronide FindByFormula + 517.1066 8.6305 4-Hydroxyphenylretinamide "4-Hydroxyphenylretinamide [ C26 H33 N O2, db=81.54, tgt=, overall=81.54, CAS ID=65646-68-6, KEGG ID=D04162, METLIN ID=43443 ]" 65646-68-6 "(390.24353, 8963.45)(391.24707, 2229.825)" 4-Hydroxyphenylretinamide FindByFormula - D04162 391.2508 8.554501 4-hydroxy-valeric acid "4-hydroxy-valeric acid [ C5 H10 O3, db=86.24, tgt=, overall=86.24, Lipid ID=LMFA01050009, METLIN ID=35393 ]" "(117.0561, 3198.639)(118.05863, 148.84584)" 4-hydroxy-valeric acid FindByFormula - LMFA01050009 118.0632 3.3625832 4-Ketoalloxanthin "4-Ketoalloxanthin [ C40 H50 O3, db=89.85, tgt=, overall=89.85, Lipid ID=LMPR01070073, METLIN ID=41336 ]" "(579.38116, 2319.4734)(580.3843, 901.36993)(581.3893, 222.23999)" 4-Ketoalloxanthin FindByFormula + LMPR01070073 578.371 19.38 4-Quinolone-3-Carboxamide Furan CB2 Agonist "4-Quinolone-3-Carboxamide Furan CB2 Agonist [ C30 H36 N2 O4, db=81.86, tgt=, overall=81.86, CAS ID=1314230-75-5, METLIN ID=96482 ]" 1314230-75-5 "(511.256, 8656.143)(512.2616, 2556.0127)(513.2627, 1212.555)(533.239, 672.5)(534.2302, 309.21)" 4-Quinolone-3-Carboxamide Furan CB2 Agonist FindByFormula + 510.248 8.03525 4-Quinolone-3-Carboxamide Furan CB2 Agonist - 9.2965 "4-Quinolone-3-Carboxamide Furan CB2 Agonist [ C30 H36 N2 O4, db=90.43, tgt=, overall=90.43, CAS ID=1314230-75-5, METLIN ID=96482 ]" 1314230-75-5 "(487.25955, 3431.925)(488.26416, 999.925)(489.27106, 252.545)" 4-Quinolone-3-Carboxamide Furan CB2 Agonist - 9.2965 FindByFormula - 488.2684 9.2965 "4S,5R-antillatoxin A" "4S,5R-antillatoxin A [ C28 H45 N3 O5, db=88.24, tgt=, overall=88.24, METLIN ID=65430 ]" "(482.35956, 9517.263)(483.3623, 2523.298)(484.36234, 437.8514)(520.31744, 1321.45)(504.34174, 16272.262)(505.3441, 4216.3535)(506.34555, 721.115)" "4S,5R-antillatoxin A" FindByFormula + 481.3516 15.428499 "4S,5R-antillatoxin A + 15.445165" "4S,5R-antillatoxin A [ C28 H45 N3 O5, db=86.59, tgt=, overall=86.59, METLIN ID=65430 ]" "(504.34152, 18553.404)(505.34354, 4875.0767)(506.34616, 677.5792)" "4S,5R-antillatoxin A + 15.445165" FindByFormula + 503.3342 15.445165 "4S,5R-antillatoxin A + 15.462734" "4S,5R-antillatoxin A [ C28 H45 N3 O5, db=87.17, tgt=, overall=87.17, METLIN ID=65430 ]" "(482.3597, 11841.295)(483.3631, 3178.4792)(484.36075, 792.00195)(520.3123, 270.82)(504.341, 52602.76)(505.34406, 14820.57)(506.34415, 2058.438)" "4S,5R-antillatoxin A + 15.462734" FindByFormula + 481.351 15.462734 "4Z,15E-Bilirubin IXa" "4Z,15E-Bilirubin IXa [ C33 H36 N4 O6, db=97.48, tgt=, overall=97.48, HMP ID=HMDB00457, METLIN ID=5445 ]" "(585.2708, 6627.243)(586.2743, 2446.8965)(587.2771, 605.69434)(588.2782, 273.60498)(623.227, 383.92)(624.2219, 278.08502)(607.2537, 6116.097)(608.25586, 2410.928)(609.2631, 681.33844)" "4Z,15E-Bilirubin IXa" FindByFormula HMDB00457 + 584.265 24.226353 "4Z,15E-Bilirubin IXa - 24.256332" "4Z,15E-Bilirubin IXa [ C33 H36 N4 O6, db=74.49, tgt=, overall=74.49, HMP ID=HMDB00457, METLIN ID=5445 ]" "(583.25574, 1033.13)(584.25934, 392.08667)" "4Z,15E-Bilirubin IXa - 24.256332" FindByFormula HMDB00457 - 584.2652 24.256332 "4Z,15E-Bilirubin IXa + 12.7605" "4Z,15E-Bilirubin IXa [ C33 H36 N4 O6, db=57.54, tgt=, overall=57.54, HMP ID=HMDB00457, METLIN ID=5445 ]" "(585.26807, 590.46497)(586.2706, 299.875)(623.224, 127.24)(607.2538, 889.47)(608.2567, 28.91)" "4Z,15E-Bilirubin IXa + 12.7605" FindByFormula HMDB00457 + 584.2658 12.7605 "4Z,15E-Bilirubin IXa + 24.22758" "4Z,15E-Bilirubin IXa [ C33 H36 N4 O6, db=97.24, tgt=, overall=97.24, HMP ID=HMDB00457, METLIN ID=5445 ]" "(585.2705, 6010.305)(586.27325, 2211.771)(587.27527, 633.44)(607.2534, 5765.5723)(608.25635, 2297.1562)(609.2543, 324.3)" "4Z,15E-Bilirubin IXa + 24.22758" FindByFormula HMDB00457 + 584.2602 24.22758 "4Z,15E-Bilirubin IXa + 24.227688" "4Z,15E-Bilirubin IXa [ C33 H36 N4 O6, mfg=93.43, db=93.31, tgt=, overall=93.37, HMP ID=HMDB00457, METLIN ID=5445 ]" "(585.27106, 6726.5356)(586.27435, 2563.716)(587.2765, 696.15686)(588.2766, 198.97499)(623.23114, 552.1233)(624.2391, 101.833336)(607.2537, 6769.61)(608.25635, 2659.0586)(609.2625, 774.3833)" "4Z,15E-Bilirubin IXa + 24.227688" FindByFormula HMDB00457 + 584.2655 24.227688 "4Z,15E-Bilirubin IXa + 24.233143" "4Z,15E-Bilirubin IXa [ C33 H36 N4 O6, db=95.38, tgt=, overall=95.38, HMP ID=HMDB00457, METLIN ID=5445 ]" "(1213.4979, 1400.4384)(1214.496, 855.62335)(1215.5005, 709.75)(1235.4777, 1323.65)(1236.4799, 1185.6066)(1237.4823, 593.31)(607.2534, 11357.7295)(608.25684, 4248.56)(609.2623, 1096.5643)(645.2064, 725.8)(629.23346, 5639.9272)(630.2357, 2216.3328)(631.2334, 554.98)" "4Z,15E-Bilirubin IXa + 24.233143" FindByFormula HMDB00457 + 606.2441 24.233143 5-(2-methoxyethyl)isolongifol-5-ene "5-(2-methoxyethyl)isolongifol-5-ene [ C18 H30 O, db=93.19, tgt=, overall=93.19, Lipid ID=LMPR0103500015, METLIN ID=53490 ]" "(263.23788, 7210.7676)(264.24225, 1558.28)(265.24445, 216.48499)" 5-(2-methoxyethyl)isolongifol-5-ene FindByFormula + LMPR0103500015 262.2302 20.77 "5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone glucuronide" "5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone glucuronide [ C18 H22 O10, mfg=91.53, db=95.14, tgt=, overall=47.57, CAS ID=, HMP ID=HMDB29190, METLIN ID=86077 ]" "(791.2472, 463.305)(792.2403, 90.83)(775.2661, 25588.016)(776.26434, 3089.9119)(777.269, 896.60596)(377.14725, 3267.4065)(378.15314, 811.367)(379.14886, 232.89249)(415.1958, 3516.4417)(416.10797, 950.3278)(399.12946, 51784.4)(400.13312, 10854.906)(401.13696, 3133.6748)" "5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone glucuronide" FindByFormula HMDB29190 + 376.1423 7.1796956 "5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone sulfate" "5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone sulfate [ C11 H12 O7 S, db=98.75, tgt=, overall=98.75, CAS ID=, HMP ID=HMDB29191, METLIN ID=86078 ]" "(287.02362, 62603.11)(288.0267, 7919.69)(289.02283, 3797.13)(290.02692, 387.63)" "5'-(3',4'-dihydroxyphenyl)-gamma-valerolactone sulfate" FindByFormula HMDB29191 - 288.0313 7.7255 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=95.85, tgt=, overall=95.85, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(705.451, 73.93)(353.23297, 29715.475)(354.23575, 7308.4727)(355.2398, 1711.4199)(356.2423, 494.31)(375.2136, 1948.5182)(376.21512, 604.062)(377.2197, 72.86)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid" FindByFormula + LMFA01030749 352.2265 9.405428 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.456738" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=90.20, tgt=, overall=90.20, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.19016, 136.49)(351.21613, 18931.03)(352.2196, 4223.2856)(353.22977, 846.18)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.456738" FindByFormula - LMFA01030749 352.2244 10.456738 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.457041" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=66.63, tgt=, overall=66.63, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.1925, 388.655)(351.2161, 18078.256)(352.2195, 4026.2275)(353.2295, 3012.99)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.457041" FindByFormula - LMFA01030749 352.2242 10.457041 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.467458" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=88.13, tgt=, overall=88.13, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.1927, 150.10399)(351.21616, 17465.885)(352.21948, 3907.4922)(353.22867, 1033.5367)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.467458" FindByFormula - LMFA01030749 352.2249 10.467458 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.482631" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=76.86, tgt=, overall=76.86, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(351.2161, 14105.724)(352.21936, 3216.5605)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.482631" FindByFormula - LMFA01030749 352.2223 10.482631 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.484143" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=85.98, tgt=, overall=85.98, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.19266, 258.52)(351.21634, 15881.495)(352.21957, 3582.4038)(353.22995, 1107.02)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.484143" FindByFormula - LMFA01030749 352.2242 10.484143 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.493928" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=80.03, tgt=, overall=80.03, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(351.21652, 15248.618)(352.21976, 3465.2344)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.493928" FindByFormula - LMFA01030749 352.2242 10.493928 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.498357" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=90.85, tgt=, overall=90.85, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.1914, 200.33401)(351.21616, 20707.504)(352.21948, 4609.7466)(353.22708, 120.10571)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 10.498357" FindByFormula - LMFA01030749 352.2234 10.498357 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.200833" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=92.79, tgt=, overall=92.79, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.1919, 71.19)(351.21628, 18221.63)(352.21957, 4050.5183)(353.2299, 240.01)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.200833" FindByFormula - LMFA01030749 352.2226 11.200833 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.2057495" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=81.28, tgt=, overall=81.28, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.19174, 250.825)(351.2167, 14524.984)(352.2199, 3239.3052)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.2057495" FindByFormula - LMFA01030749 352.2246 11.2057495 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.217999" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=96.14, tgt=, overall=96.14, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(351.2168, 18554.043)(352.2202, 4099.3735)(353.2299, 240.01)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.217999" FindByFormula - LMFA01030749 352.2251 11.217999 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.228714" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=76.53, tgt=, overall=76.53, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.1896, 231.88501)(351.21603, 16338.247)(352.2193, 3644.6985)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.228714" FindByFormula - LMFA01030749 352.2245 11.228714 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.2438" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=78.37, tgt=, overall=78.37, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(387.1916, 430.46)(351.21628, 12627.576)(352.21948, 2833.4001)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid - 11.2438" FindByFormula - LMFA01030749 352.2235 11.2438 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.155738" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, mfg=98.44, db=98.44, tgt=, overall=98.44, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.23157, 9761.938)(354.23566, 2181.959)(355.2375, 343.4271)(375.21136, 562.52856)(376.22043, 307.1925)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.155738" FindByFormula + LMFA01030749 352.2234 10.155738 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.1970005" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=96.20, tgt=, overall=96.20, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.23172, 12582.56)(354.23514, 2955.9065)(355.235, 97.06)(375.2129, 2186.9634)(376.21274, 685.8566)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.1970005" FindByFormula + LMFA01030749 352.2259 10.1970005 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.460291" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=96.42, tgt=, overall=96.42, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(375.21414, 14259.535)(376.21677, 3361.825)(377.22232, 853.72595)(413.1733, 150.94)(397.1971, 2321.7888)(398.19977, 514.8478)(399.1895, 39.77)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.460291" FindByFormula + LMFA01030749 374.2071 10.460291 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.493083" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, mfg=97.96, db=98.19, tgt=, overall=49.09, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(375.2141, 12703.876)(376.21683, 3010.8916)(377.22293, 512.366)(413.1701, 167.14)(397.19662, 2632.73)(398.20126, 755.9129)(399.2062, 256.26498)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.493083" FindByFormula + LMFA01030749 374.2073 10.493083 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.586" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=92.22, tgt=, overall=92.22, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(375.2129, 8081.435)(376.21558, 1821.475)(377.229, 143.55)(397.1936, 1493.94)(398.1996, 256.85)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.586" FindByFormula + LMFA01030749 374.206 10.586 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.6605" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=77.07, tgt=, overall=77.07, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.2311, 10699.055)(354.23492, 2463.2202)(355.236, 545.19)(375.2157, 59823.812)(376.21725, 13654.42)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.6605" FindByFormula + LMFA01030749 352.2259 10.6605 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.680667" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=80.74, tgt=, overall=80.74, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.2335, 6750.513)(354.2377, 1508.85)(355.2376, 727.49)(375.21497, 59687.57)(376.21674, 13791.165)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.680667" FindByFormula + LMFA01030749 352.227 10.680667 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.717799" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=58.34, tgt=, overall=58.34, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.23047, 5628.6685)(354.235, 1293.7341)(375.21378, 24106.713)(376.21674, 13813.431)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 10.717799" FindByFormula + LMFA01030749 352.2249 10.717799 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 11.1866" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=82.00, tgt=, overall=82.00, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(375.21384, 11186.738)(376.21606, 2488.8362)(397.1962, 3237.64)(398.1972, 700.85)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 11.1866" FindByFormula + LMFA01030749 374.2066 11.1866 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 11.2024" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=89.57, tgt=, overall=89.57, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(375.21292, 4121.2603)(376.2158, 1033.054)(377.2294, 23.71)(397.1979, 135.255)(398.1966, 64.37)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 11.2024" FindByFormula + LMFA01030749 374.2065 11.2024 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 11.208167" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=78.42, tgt=, overall=78.42, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.2304, 1094.886)(354.23773, 384.875)(355.2341, 270.5)(375.2138, 3238.0679)(376.21722, 883.634)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 11.208167" FindByFormula + LMFA01030749 352.2251 11.208167 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.3806" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=93.05, tgt=, overall=93.05, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.2336, 29924.416)(354.23593, 7555.91)(355.23923, 1167.656)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.3806" FindByFormula + LMFA01030749 352.2266 9.3806 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.414692" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=91.19, tgt=, overall=91.19, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(353.23236, 18940.955)(354.23306, 4697.493)(355.23712, 1019.467)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.414692" FindByFormula + LMFA01030749 352.2239 9.414692 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.429468" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=95.95, tgt=, overall=95.95, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(705.4585, 161.73)(353.23224, 27202.812)(354.23495, 7167.6377)(355.23746, 962.96906)(356.2377, 62.41)(375.21353, 2143.462)(376.21603, 690.1289)(377.21094, 295.84668)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.429468" FindByFormula + LMFA01030749 352.2259 9.429468 "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.499667" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid [ C20 H32 O5, db=86.50, tgt=, overall=86.50, Lipid ID=LMFA01030749, METLIN ID=74339 ]" "(375.21423, 3119.7666)(376.21555, 681.45)(377.2264, 215.55501)" "5,14,15-trihydroxy-6,8,10,12-Eicosatetraenoic acid + 9.499667" FindByFormula + LMFA01030749 374.2085 9.499667 "5,6-Dehydrolupanine" "5,6-Dehydrolupanine [ C15 H22 N2 O, db=79.88, tgt=, overall=79.88, CAS ID=32101-29-4, KEGG ID=C10764, METLIN ID=68559 ]" 32101-29-4 "(247.18166, 10544.814)(248.18555, 1797.95)" "5,6-Dehydrolupanine" FindByFormula + C10764 246.1746 9.7885 "5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone" "5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone [ C22 H24 O6, db=75.45, tgt=, overall=75.45, Lipid ID=LMPK12140453, METLIN ID=52935 ]" "(383.1518, 1564.2871)(384.1546, 388.40143)" "5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone" FindByFormula - LMPK12140453 384.1604 9.462715 "5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone - 9.4428005" "5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone [ C22 H24 O6, db=75.72, tgt=, overall=75.72, Lipid ID=LMPK12140453, METLIN ID=52935 ]" "(383.1518, 1821.824)(384.15485, 431.38403)" "5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone - 9.4428005" FindByFormula - LMPK12140453 384.1575 9.4428005 "5,8,12-trihydroxy-9-octadecenoic acid" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=94.73, tgt=, overall=94.73, METLIN ID=35684 ]" "(353.23074, 8733.89)(354.2349, 1965.5535)(355.23474, 323.96332)" "5,8,12-trihydroxy-9-octadecenoic acid" FindByFormula + 352.2229 10.180001 "5,8,12-trihydroxy-9-octadecenoic acid - 10.19375" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=83.81, tgt=, overall=83.81, METLIN ID=35684 ]" "(329.23355, 3786.0325)(330.23737, 819.74744)" "5,8,12-trihydroxy-9-octadecenoic acid - 10.19375" FindByFormula - 330.2416 10.19375 "5,8,12-trihydroxy-9-octadecenoic acid - 10.200143" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=77.76, tgt=, overall=77.76, METLIN ID=35684 ]" "(329.23178, 3663.0435)(330.23538, 767.62354)" "5,8,12-trihydroxy-9-octadecenoic acid - 10.200143" FindByFormula - 330.2389 10.200143 "5,8,12-trihydroxy-9-octadecenoic acid - 10.201601" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=95.06, tgt=, overall=95.06, METLIN ID=35684 ]" "(329.23206, 3341.472)(330.23578, 688.91)(331.23804, 91.362)" "5,8,12-trihydroxy-9-octadecenoic acid - 10.201601" FindByFormula - 330.2404 10.201601 "5,8,12-trihydroxy-9-octadecenoic acid - 10.739455" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=79.32, tgt=, overall=79.32, METLIN ID=35684 ]" "(329.23215, 2628.601)(330.2351, 558.99634)" "5,8,12-trihydroxy-9-octadecenoic acid - 10.739455" FindByFormula - 330.2407 10.739455 "5,8,12-trihydroxy-9-octadecenoic acid - 10.7527485" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=95.41, tgt=, overall=95.41, METLIN ID=35684 ]" "(329.2324, 2937.4812)(330.23517, 610.84753)(331.2376, 61.15)" "5,8,12-trihydroxy-9-octadecenoic acid - 10.7527485" FindByFormula - 330.2382 10.7527485 "5,8,12-trihydroxy-9-octadecenoic acid + 10.238999" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=94.31, tgt=, overall=94.31, METLIN ID=35684 ]" "(353.2308, 9960.7)(354.23422, 2198.4333)(355.2283, 297.24)" "5,8,12-trihydroxy-9-octadecenoic acid + 10.238999" FindByFormula + 352.2227 10.238999 "5,8,12-trihydroxy-9-octadecenoic acid + 10.686" "5,8,12-trihydroxy-9-octadecenoic acid [ C18 H34 O5, db=82.79, tgt=, overall=82.79, METLIN ID=35684 ]" "(353.22968, 10131.83)(354.23355, 1772.12)(355.2367, 1140.79)" "5,8,12-trihydroxy-9-octadecenoic acid + 10.686" FindByFormula + 352.222 10.686 500.2194@14.524 "(501.2262, 6087.265)(502.22968, 1939.24)(503.22906, 924.495)" 500.2194@14.524 FindByFormula + 500.2194 14.524 500.2904@15.167999 "(251.1513, 2416.185)(251.64929, 1009.785)(252.15186, 640.61)" 500.2904@15.167999 FindByFormula + 500.2904 15.167999 501.2543@15.746666 "(251.6352, 1751.6866)(252.135, 435.62332)(502.26147, 2936.88)(503.26587, 1229.93)(504.26843, 324.04)" 501.2543@15.746666 FindByFormula + 501.2543 15.746666 502.1595@20.108002 "(503.16895, 7249.99)(504.1727, 1762.39)" 502.1595@20.108002 FindByFormula + 502.1595 20.108002 502.2278@12.6985 "(503.23605, 3760.31)(504.23795, 1066.27)" 502.2278@12.6985 FindByFormula + 502.2278 12.6985 503.2633@8.195 "(504.26727, 600.33997)(505.27277, 289.62)" 503.2633@8.195 FindByFormula + 503.2633 8.195 503.2673@7.4535003 "(502.2566, 2670.5)(503.2548, 775.405)" 503.2673@7.4535003 FindByFormula - 503.2673 7.4535003 504.2142@16.786999 "(505.2223, 2681.7852)(506.22552, 949.68994)" 504.2142@16.786999 FindByFormula + 504.2142 16.786999 504.2165@17.159 "(505.22086, 422.435)(506.22888, 178.995)" 504.2165@17.159 FindByFormula + 504.2165 17.159 504.3384@7.955667 "(505.34317, 773.55664)(527.3271, 19633.592)(528.3287, 5875.82)(529.3206, 400.35)" 504.3384@7.955667 FindByFormula + 504.3384 7.955667 504.3552@22.348 "(505.36356, 1606.175)(506.36554, 835.26)" 504.3552@22.348 FindByFormula + 504.3552 22.348 505.2205@7.512 "(1033.4154, 296.41)(506.2235, 10259.51)(507.22687, 2863.245)(508.22504, 480.27002)" 505.2205@7.512 FindByFormula + 505.2205 7.512 505.2741@15.179463 "(504.26688, 7505.74)(505.26862, 1828.7368)(506.2748, 380.566)" 505.2741@15.179463 FindByFormula - 505.2741 15.179463 506.1024@1.074 "(507.11078, 15365.035)(508.1137, 3581.2197)" 506.1024@1.074 FindByFormula + 506.1024 1.074 506.1056@1.121 "(507.1128, 5946.4854)(508.11475, 1469.03)" 506.1056@1.121 FindByFormula + 506.1056 1.121 506.2479@8.581 "(507.2607, 4173.0103)(508.26257, 1437.1266)" 506.2479@8.581 FindByFormula + 506.2479 8.581 506.3193@29.5945 "(507.32745, 3433.2725)(508.3279, 1191.4026)(509.32907, 582.71246)" 506.3193@29.5945 FindByFormula + 506.3193 29.5945 506.5878@7.0004997 "(507.59418, 798.1)(508.59894, 228.47)" 506.5878@7.0004997 FindByFormula + 506.5878 7.0004997 507.102@1.9645 "(508.1099, 624.885)(509.1152, 398.59497)" 507.102@1.9645 FindByFormula + 507.102 1.9645 507.2728@8.301 "(508.27835, 986.835)(509.2742, 421.58502)(510.2712, 316.67)" 507.2728@8.301 FindByFormula + 507.2728 8.301 508.081@11.853001 "(255.04584, 1746.9767)(255.5483, 667.87335)" 508.081@11.853001 FindByFormula + 508.081 11.853001 508.2794@17.4592 "(507.2702, 3299.564)(508.27383, 955.73)(509.27744, 225.276)" 508.2794@17.4592 FindByFormula - 508.2794 17.4592 508.3903@25.388 "(509.3943, 896.38)(510.39722, 425.575)" 508.3903@25.388 FindByFormula + 508.3903 25.388 509.27@10.28175 "(510.28052, 4065.9375)(511.28223, 1275.6226)(512.28424, 282.49)" 509.27@10.28175 FindByFormula + 509.27 10.28175 509.2892@17.66 "(510.2953, 6262.3203)(511.29785, 1487.5566)(512.3008, 347.525)" 509.2892@17.66 FindByFormula + 509.2892 17.66 510.2008@13.56775 "(511.20978, 2583.825)(512.21295, 777.475)(513.20746, 425.96997)" 510.2008@13.56775 FindByFormula + 510.2008 13.56775 510.204@13.5485 "(511.2106, 1466.65)(512.21423, 510.33002)(513.2053, 183.3)" 510.204@13.5485 FindByFormula + 510.204 13.5485 510.247@8.043333 "(511.25577, 6644.5757)(512.2594, 2242.8618)(513.25977, 914.97833)" 510.247@8.043333 FindByFormula + 510.247 8.043333 510.3317@9.984666 "(511.33752, 23514.35)(512.3406, 7959.06)(513.33795, 2032.0865)(514.3327, 606.885)" 510.3317@9.984666 FindByFormula + 510.3317 9.984666 511.3263@11.333499 "(512.33246, 1180.1034)(513.3389, 441.2667)(534.31793, 1830.6526)(535.3232, 678.6725)(536.3243, 191.5875)" 511.3263@11.333499 FindByFormula + 511.3263 11.333499 512.2169@17.944 "(513.2234, 600.815)(514.22437, 292.03)" 512.2169@17.944 FindByFormula + 512.2169 17.944 512.2232@1.15325 "(513.2268, 6297.173)(514.23047, 1516.9375)(515.2308, 260.70334)(535.2114, 3369.27)(536.20776, 1066.865)" 512.2232@1.15325 FindByFormula + 512.2232 1.15325 512.2245@1.1485 "(513.2308, 2935.285)(514.2366, 793.91003)(515.2383, 368.435)(551.187, 690.21)(552.1983, 58.1)(535.2128, 3052.1667)(536.2168, 1096.5465)" 512.2245@1.1485 FindByFormula + 512.2245 1.1485 512.3305@13.16 "(513.33856, 683.655)(514.33984, 309.365)" 512.3305@13.16 FindByFormula + 512.3305 13.16 513.2745@12.450665 "(512.26685, 721.36334)(513.2719, 272.27)" 513.2745@12.450665 FindByFormula - 513.2745 12.450665 514.1417@19.199 "(515.1493, 1086.03)(516.1476, 199.44)" 514.1417@19.199 FindByFormula + 514.1417 19.199 514.3473@6.1253333 "(258.1831, 1982.1768)(258.68423, 581.51666)(259.1856, 206.51)(515.35443, 1635.5234)(516.3532, 562.63)(537.332, 341.22)" 514.3473@6.1253333 FindByFormula + 514.3473 6.1253333 514.3494@2.0149999 "(258.1828, 1446.0226)(258.68408, 414.5425)(259.18015, 163.96)(515.355, 1981.5875)(516.3566, 931.17334)(517.3608, 364.31003)(537.33093, 407.11002)(538.3429, 490.39)(539.3348, 36.21)" 514.3494@2.0149999 FindByFormula + 514.3494 2.0149999 515.2915@9.867833 "(514.28143, 13613.751)(515.2842, 3986.9167)(516.2837, 91.87)" 515.2915@9.867833 FindByFormula - 515.2915 9.867833 515.2993@13.078334 "(516.3048, 7361.847)(517.3095, 1961.3066)(518.32086, 1353.1383)" 515.2993@13.078334 FindByFormula + 515.2993 13.078334 515.3095@7.6122503 "(514.29974, 617.3375)(515.29724, 253.74251)" 515.3095@7.6122503 FindByFormula - 515.3095 7.6122503 515.3333@8.599501 "(514.32654, 3129.815)(515.3273, 828.915)" 515.3333@8.599501 FindByFormula - 515.3333 8.599501 516.2911@6.7749996 "(517.2988, 8992.64)(518.3, 2458.4849)(519.3023, 642.63)(555.2561, 520.69)(539.2825, 6513.585)(540.2827, 1954.0549)(541.28735, 772.73)" 516.2911@6.7749996 FindByFormula + 516.2911 6.7749996 516.2921@6.821333 "(515.2863, 5617.7017)(516.2867, 1561.0485)(517.2865, 388.508)" 516.2921@6.821333 FindByFormula - 516.2921 6.821333 516.2961@7.9500003 "(515.2874, 7801.51)(516.288, 1965.6238)(517.2887, 410.8418)" 516.2961@7.9500003 FindByFormula - 516.2961 7.9500003 516.2961@7.959625 "(515.2868, 8501.322)(516.2876, 2129.7776)(517.29016, 442.77625)" 516.2961@7.959625 FindByFormula - 516.2961 7.959625 516.3647@17.7652 "(517.3707, 3208.066)(518.37244, 1128.8761)" 516.3647@17.7652 FindByFormula + 516.3647 17.7652 517.2913@6.777 "(516.2875, 1234.195)(517.2853, 372.32)" 517.2913@6.777 FindByFormula - 517.2913 6.777 517.2936@7.9663334 "(516.2865, 1173.2433)(517.2893, 275.59)" 517.2936@7.9663334 FindByFormula - 517.2936 7.9663334 517.3137@28.422 "(518.32153, 3455.94)(519.3217, 953.355)" 517.3137@28.422 FindByFormula + 517.3137 28.422 518.2015@7.1005 "(541.19556, 326.405)(542.1933, 179.475)" 518.2015@7.1005 FindByFormula + 518.2015 7.1005 519.31@7.2530003 "(520.3118, 1785.43)(521.315, 714.93)(542.2958, 13212.774)(543.3043, 3583.645)" 519.31@7.2530003 FindByFormula + 519.31 7.2530003 519.3655@21.310501 "(520.3716, 420.82)(542.3535, 526.49)(543.35876, 307.295)" 519.3655@21.310501 FindByFormula + 519.3655 21.310501 519.5007@19.598 "(520.50854, 2662.9834)(521.51166, 1190.8134)(522.5189, 452.33502)" 519.5007@19.598 FindByFormula + 519.5007 19.598 519.5007@27.64275 "(520.5085, 8473.107)(521.5112, 2956.8274)(522.51605, 1844.8325)" 519.5007@27.64275 FindByFormula + 519.5007 27.64275 519.5718@7.0468 "(520.5803, 4614.91)(521.58417, 413.93198)(522.58527, 216.01001)" 519.5718@7.0468 FindByFormula + 519.5718 7.0468 520.0458@1.9769999 "(521.04987, 2587.9233)(522.0469, 943.50665)" 520.0458@1.9769999 FindByFormula + 520.0458 1.9769999 520.1424@1.2426667 "(521.147, 5692.7637)(522.1504, 1086.0934)(523.16113, 1197.0233)" 520.1424@1.2426667 FindByFormula + 520.1424 1.2426667 520.5042@24.214834 "(521.511, 2779.0984)(522.514, 548.9199)" 520.5042@24.214834 FindByFormula + 520.5042 24.214834 520.5051@24.7084 "(521.5108, 1196.054)(522.5122, 225.578)" 520.5051@24.7084 FindByFormula + 520.5051 24.7084 522.0703@10.106267 "(523.0804, 3655.78)(524.0836, 890.706)(561.041, 79.09)(545.0649, 925.1087)(546.06464, 196.37428)" 522.0703@10.106267 FindByFormula + 522.0703 10.106267 522.0738@7.201 "(523.0805, 24493.96)(524.0759, 1135.88)" 522.0738@7.201 FindByFormula + 522.0738 7.201 522.1493@20.761332 "(523.1561, 4591.5435)(524.16254, 1133.1533)" 522.1493@20.761332 FindByFormula + 522.1493 20.761332 523.2642@15.158999 "(524.2708, 7511.0835)(525.27814, 1916.7599)(526.27856, 741.655)" 523.2642@15.158999 FindByFormula + 523.2642 15.158999 523.2649@15.1483345 "(524.2721, 5459.8735)(525.2776, 1465.9233)(526.2783, 536.38)(527.2723, 67.27)" 523.2649@15.1483345 FindByFormula + 523.2649 15.1483345 523.2878@16.932499 "(524.29517, 654.83496)(525.2967, 321.4)" 523.2878@16.932499 FindByFormula + 523.2878 16.932499 523.3643@20.865 "(524.3678, 3066.0234)(525.37665, 825.0234)(546.3527, 1043.5)(547.3577, 77.3)" 523.3643@20.865 FindByFormula + 523.3643 20.865 524.1159@0.975 "(525.12286, 4505.952)(526.1269, 980.8981)" 524.1159@0.975 FindByFormula + 524.1159 0.975 524.1582@20.5005 "(525.1633, 2851.475)(526.1701, 1266.74)(527.1679, 553.78)" 524.1582@20.5005 FindByFormula + 524.1582 20.5005 524.224@6.5175 "(523.21606, 2176.475)(524.2178, 594.29504)" 524.224@6.5175 FindByFormula - 524.224 6.5175 524.3131@13.306333 "(523.3059, 3822.0898)(524.3088, 1257.1733)(525.31, 312.0133)(526.3092, 48.52)" 524.3131@13.306333 FindByFormula - 524.3131 13.306333 525.0536@8.662625 "(1049.0973, 355.15375)(1050.1045, 244.72502)(524.0474, 1184.3251)(525.04926, 317.48874)" 525.0536@8.662625 FindByFormula - 525.0536 8.662625 525.2523@9.943251 "(526.2592, 5363.083)(527.26227, 2022.8501)(528.2614, 796.8675)(548.238, 1039.3267)(549.24915, 608.48)" 525.2523@9.943251 FindByFormula + 525.2523 9.943251 525.5379@7.3065 "(1052.0771, 2021.24)(1053.0726, 905.895)(526.54834, 2037.165)" 525.5379@7.3065 FindByFormula + 525.5379 7.3065 526.1553@1.3924999 "(527.1644, 6303.115)(528.1676, 1823.23)" 526.1553@1.3924999 FindByFormula + 526.1553 1.3924999 528.2744@10.629 "(527.26666, 2009.53)(528.2682, 390.19)(529.2798, 338.435)" 528.2744@10.629 FindByFormula - 528.2744 10.629 528.3282@8.459667 "(527.3239, 9891.733)(528.32135, 2938.5867)" 528.3282@8.459667 FindByFormula - 528.3282 8.459667 528.3289@7.5825 "(527.32263, 2758.895)(528.3213, 982.59503)(529.3239, 417.22)" 528.3289@7.5825 FindByFormula - 528.3289 7.5825 530.2337@9.858666 "(531.2398, 13823.743)(532.24585, 5395.8135)(533.25, 1080.76)(553.2177, 1228.35)(554.2283, 495.48)" 530.2337@9.858666 FindByFormula + 530.2337 9.858666 530.2727@6.9655 "(529.266, 2124.315)(530.2677, 602.08496)(531.27246, 87.95)" 530.2727@6.9655 FindByFormula - 530.2727 6.9655 530.3003@1.1105 "(531.3081, 1172.635)(532.31177, 697.645)(533.3039, 486.61502)" 530.3003@1.1105 FindByFormula + 530.3003 1.1105 530.3112@7.8389997 "(529.2993, 1342.3049)(530.2984, 610.145)" 530.3112@7.8389997 FindByFormula - 530.3112 7.8389997 530.3714@25.471666 "(531.3789, 2408.13)(532.38135, 770.73334)(533.37787, 372.96667)" 530.3714@25.471666 FindByFormula + 530.3714 25.471666 530.3755@19.545666 "(531.38544, 1611.9282)(532.38745, 560.2633)(533.3813, 202.62164)" 530.3755@19.545666 FindByFormula + 530.3755 19.545666 531.2973@1.132 "(532.3128, 3402.447)(533.3006, 2013.4)" 531.2973@1.132 FindByFormula + 531.2973 1.132 531.3294@15.994334 "(532.33765, 36072.895)(533.3394, 10571.747)(534.3393, 1025.29)" 531.3294@15.994334 FindByFormula + 531.3294 15.994334 532.2776@26.387001 "(533.2878, 3249.3835)(534.2909, 1325.9451)(535.2877, 579.6)(555.26636, 4895.9897)(556.2728, 1447.31)" 532.2776@26.387001 FindByFormula + 532.2776 26.387001 532.286@8.129499 "(555.27875, 5231.575)(556.27985, 1994.7451)(557.28406, 497.755)" 532.286@8.129499 FindByFormula + 532.286 8.129499 532.2893@7.2901664 "(531.2813, 11101.277)(532.2838, 2878.321)(533.28595, 601.19995)" 532.2893@7.2901664 FindByFormula - 532.2893 7.2901664 532.3216@1.1545 "(555.3097, 5230.065)(556.3122, 1862.125)(557.3111, 723.775)" 532.3216@1.1545 FindByFormula + 532.3216 1.1545 532.3357@15.93 "(533.3431, 3581.7363)(534.33716, 941.6533)" 532.3357@15.93 FindByFormula + 532.3357 15.93 533.1715@1.954 "(534.182, 1137.97)(572.13403, 6871.0933)(573.13934, 2502.5732)(556.1639, 2539.1768)(557.16486, 1164.2467)" 533.1715@1.954 FindByFormula + 533.1715 1.954 533.3062@11.248 "(534.31494, 2005.73)(535.32043, 731.69)(536.3262, 351.975)" 533.3062@11.248 FindByFormula + 533.3062 11.248 533.4462@14.7535 "(267.7312, 6164.01)(268.23132, 3074.7349)" 533.4462@14.7535 FindByFormula + 533.4462 14.7535 534.3814@22.058498 "(535.3879, 1557.155)(536.39075, 624.82996)" 534.3814@22.058498 FindByFormula + 534.3814 22.058498 536.1568@25.0985 "(537.1645, 522.82)(538.16187, 382.54498)" 536.1568@25.0985 FindByFormula + 536.1568 25.0985 536.2803@1.4446667 "(537.28296, 1145.8268)(538.2775, 595.10333)" 536.2803@1.4446667 FindByFormula + 536.2803 1.4446667 537.2858@7.3426666 "(1075.5737, 13284.313)(1076.5719, 9419.073)(1077.5718, 2339.53)(538.2859, 904.54)(539.2926, 531.14)" 537.2858@7.3426666 FindByFormula + 537.2858 7.3426666 537.7943@8.5745 "(538.8048, 1786.575)(539.7989, 185.945)" 537.7943@8.5745 FindByFormula + 537.7943 8.5745 538.1101@13.094 "(539.117, 170.18)(561.1012, 503.72998)(562.10785, 209.435)" 538.1101@13.094 FindByFormula + 538.1101 13.094 538.2706@12.702334 "(270.14392, 1271.1532)(270.6451, 519.3867)(539.27594, 2950.1367)(540.27814, 938.93994)(541.28705, 431.16333)" 538.2706@12.702334 FindByFormula + 538.2706 12.702334 538.2745@7.9572496 "(539.2818, 11062.609)(540.28326, 3175.81)(541.27496, 891.42334)(577.2329, 760.33)(561.25745, 7024.3896)(562.2667, 2059.385)(563.2623, 389.395)" 538.2745@7.9572496 FindByFormula + 538.2745 7.9572496 538.2797@7.9600005 "(539.28827, 10599.077)(540.2908, 2986.9797)(541.2864, 704.29663)" 538.2797@7.9600005 FindByFormula + 538.2797 7.9600005 538.3261@15.236667 "(537.32086, 3246.3333)(538.32416, 1067.0299)(539.3277, 647.16)" 538.3261@15.236667 FindByFormula - 538.3261 15.236667 538.3277@15.236667 "(537.32086, 3246.3333)(538.32416, 1067.0299)(539.3272, 114.369995)" 538.3277@15.236667 FindByFormula - 538.3277 15.236667 538.7956@1.8399999 "(539.8036, 3293.345)(540.8047, 821.3)" 538.7956@1.8399999 FindByFormula + 538.7956 1.8399999 539.0762@7.0705004 "(540.0838, 153.96)(578.0352, 657.49)(579.0429, 55.98)(562.0663, 5723.27)(563.06836, 1664.425)(564.06696, 399.435)" 539.0762@7.0705004 FindByFormula + 539.0762 7.0705004 539.3193@13.361 "(538.3124, 1175.855)(539.3142, 392.84003)" 539.3193@13.361 FindByFormula - 539.3193 13.361 539.5267@24.260666 "(540.5347, 510.67)(541.5344, 232.29668)(542.52606, 89.27667)(562.5151, 112.93)" 539.5267@24.260666 FindByFormula + 539.5267 24.260666 540.196@7.159 "(541.2045, 6200.23)(542.2046, 2053.995)(543.2063, 559.5)" 540.196@7.159 FindByFormula + 540.196 7.159 540.2923@0.9976001 "(541.2964, 1329.71)(542.30304, 409.424)(543.30304, 242.06201)(579.2532, 360.155)(580.2553, 41.42)(563.279, 903.35)" 540.2923@0.9976001 FindByFormula + 540.2923 0.9976001 540.4352@22.363998 "(539.4285, 1780.09)(540.4328, 746.5833)" 540.4352@22.363998 FindByFormula - 540.4352 22.363998 541.3318@14.4105 "(540.3268, 4415.895)(541.3297, 1417.3999)(542.3314, 321.135)" 541.3318@14.4105 FindByFormula - 541.3318 14.4105 541.6268@9.093333 "(542.63654, 11633.977)(543.63885, 1677.91)" 541.6268@9.093333 FindByFormula + 541.6268 9.093333 541.8117@27.485998 "(542.8195, 2188.15)(543.8202, 268.18573)(544.8235, 163.85)" 541.8117@27.485998 FindByFormula + 541.8117 27.485998 541.8133@27.4042 "(542.82056, 2108.44)(543.8209, 352.28998)" 541.8133@27.4042 FindByFormula + 541.8133 27.4042 542.2123@12.6255 "(543.21655, 998.505)(544.2192, 442.5)(565.2043, 639.64)(566.2065, 314.78)" 542.2123@12.6255 FindByFormula + 542.2123 12.6255 542.3243@16.814667 "(541.317, 1282.41)(542.32, 487.34665)" 542.3243@16.814667 FindByFormula - 542.3243 16.814667 542.3448@7.8493333 "(541.33936, 2419.5999)(542.34076, 733.9634)" 542.3448@7.8493333 FindByFormula - 542.3448 7.8493333 543.3035@0.9585 "(544.3098, 1712.3999)(545.3164, 645.12)(546.31726, 1215.915)(567.7986, 708.18)(568.3057, 154.87)" 543.3035@0.9585 FindByFormula + 543.3035 0.9585 544.2828@7.628 "(543.2803, 8392.656)(544.2827, 2358.5466)(545.29205, 3644.74)(546.2947, 1587.47)" 544.2828@7.628 FindByFormula - 544.2828 7.628 545.3299@8.613875 "(544.32007, 3121.0552)(545.3222, 1031.4637)(546.32404, 695.45996)" 545.3299@8.613875 FindByFormula - 545.3299 8.613875 545.8006@1.2289999 "(1092.6039, 9374.647)(1093.6072, 5648.324)(1094.6116, 2116.7085)(546.8088, 4184.411)(547.81104, 997.2871)" 545.8006@1.2289999 FindByFormula + 545.8006 1.2289999 546.333@8.675 "(545.32666, 1635.9834)(546.32513, 620.46674)" 546.333@8.675 FindByFormula - 546.333 8.675 546.3493@9.0245 "(547.35657, 21163.855)(548.3574, 7974.9004)" 546.3493@9.0245 FindByFormula + 546.3493 9.0245 547.2831@14.868 "(546.2772, 1755.13)(547.27893, 550.78)(548.2892, 315.38)" 547.2831@14.868 FindByFormula - 547.2831 14.868 547.3081@8.3246 "(1093.6082, 2937.238)(1094.6101, 1879.906)" 547.3081@8.3246 FindByFormula - 547.3081 8.3246 549.2714@17.633501 "(550.2813, 2033.5518)(572.26196, 3981.6316)(573.26495, 1338.8049)(574.27344, 544.40497)" 549.2714@17.633501 FindByFormula + 549.2714 17.633501 549.3007@11.1265 "(550.3074, 3087.62)(551.31335, 1236.8)" 549.3007@11.1265 FindByFormula + 549.3007 11.1265 549.3134@8.303 "(550.3229, 9687.905)(551.3165, 2116.825)" 549.3134@8.303 FindByFormula + 549.3134 8.303 550.2864@10.4545 "(551.2927, 3773.97)(552.2969, 1302.25)" 550.2864@10.4545 FindByFormula + 550.2864 10.4545 551.1175@8.627501 "(552.1212, 14332.725)(553.12225, 4913.13)(554.1128, 3541.1)(574.105, 3210.55)" 551.1175@8.627501 FindByFormula + 551.1175 8.627501 551.1243@1.9675 "(552.133, 1961.1599)(553.1401, 1086.27)" 551.1243@1.9675 FindByFormula + 551.1243 1.9675 551.2527@12.796499 "(552.2593, 2677.635)(553.2639, 722.54004)(554.27106, 279.695)(574.24475, 1286.64)(575.2318, 332.24)" 551.2527@12.796499 FindByFormula + 551.2527 12.796499 551.3776@8.9055 "(552.38025, 36358.125)(553.382, 13100.365)(554.3862, 3359.375)(574.3587, 5724.73)(575.3458, 2645.2)" 551.3776@8.9055 FindByFormula + 551.3776 8.9055 552.3054@13.410335 "(551.30096, 1235.11)(552.3035, 430.70667)" 552.3054@13.410335 FindByFormula - 552.3054 13.410335 554.3025@2.3099997 "(555.31006, 3920.4668)(556.3118, 1162.1666)(557.3077, 482.31836)(577.2935, 2225.4475)(578.2991, 1128.7225)" 554.3025@2.3099997 FindByFormula + 554.3025 2.3099997 554.6542@9.1115 "(555.65985, 4043.3176)(556.66736, 634.89996)" 554.6542@9.1115 FindByFormula + 554.6542 9.1115 555.5246@24.902 "(556.5305, 2694.4153)(557.5341, 998.03503)(558.53625, 315.04248)" 555.5246@24.902 FindByFormula + 555.5246 24.902 556.1127@0.7613333 "(579.09796, 1334.2966)(580.09827, 453.08667)(581.0986, 532.86)" 556.1127@0.7613333 FindByFormula + 556.1127 0.7613333 556.37@7.64 "(557.3718, 4357.695)(558.37744, 1536.3999)" 556.37@7.64 FindByFormula + 556.37 7.64 556.6385@9.121001 "(557.64667, 9215.453)(558.64386, 412.90332)" 556.6385@9.121001 FindByFormula + 556.6385 9.121001 557.2691@12.813499 "(558.27563, 3729.355)(559.281, 853.85)(560.27563, 247.115)" 557.2691@12.813499 FindByFormula + 557.2691 12.813499 557.3623@6.89375 "(279.68985, 1011.775)(280.18744, 562.565)" 557.3623@6.89375 FindByFormula + 557.3623 6.89375 558.2014@9.8455 "(559.2079, 5547.9697)(560.21497, 2151.975)(561.2092, 586.97)(581.2012, 1820.19)(582.2031, 847.37)" 558.2014@9.8455 FindByFormula + 558.2014 9.8455 558.3961@22.398 "(559.40906, 3213.4849)(560.4114, 1124.1)(561.4022, 1636.47)(562.4114, 724.69)" 558.3961@22.398 FindByFormula + 558.3961 22.398 560.1968@13.6905 "(1143.3612, 142.02)(561.20483, 4315.499)(562.20825, 1428.819)(563.2118, 673.6511)" 560.1968@13.6905 FindByFormula + 560.1968 13.6905 560.2222@11.401 "(1143.435, 1230.68)(1144.4293, 620.39)(561.23, 8853.25)(562.23706, 2672.93)(563.2333, 1235.56)(583.2156, 5655.33)(584.2202, 1762.585)(585.2156, 1018.43)" 560.2222@11.401 FindByFormula + 560.2222 11.401 561.0574@2.0570002 "(562.0679, 2577.3052)(563.06616, 737.68)(564.06683, 338.95502)" 561.0574@2.0570002 FindByFormula + 561.0574 2.0570002 561.0591@2.0570002 "(562.0679, 2577.3052)(563.06616, 737.68)(564.06683, 338.95502)" 561.0591@2.0570002 FindByFormula + 561.0591 2.0570002 561.0594@7.058334 "(562.06604, 4482.1763)(563.0699, 1279.0366)" 561.0594@7.058334 FindByFormula + 561.0594 7.058334 561.3092@17.421501 "(281.663, 4954.79)(282.1641, 1632.74)(282.6652, 160.57)(562.3203, 25619.334)(563.33, 7625.995)(564.3209, 3647.2449)" 561.3092@17.421501 FindByFormula + 561.3092 17.421501 561.3207@8.538333 "(560.3126, 2893.7432)(561.3116, 984.0267)(562.3101, 409.93)" 561.3207@8.538333 FindByFormula - 561.3207 8.538333 561.337@15.094 "(562.34375, 1541.6399)(563.34735, 388.03998)" 561.337@15.094 FindByFormula + 561.337 15.094 564.3623@19.429 "(565.37, 1851.755)(566.37335, 673.64)(567.3703, 89.66)" 564.3623@19.429 FindByFormula + 564.3623 19.429 564.3627@18.145422 "(565.37036, 19929.29)(566.3738, 7110.791)(567.374, 1605.7761)(568.37683, 380.79776)" 564.3627@18.145422 FindByFormula + 564.3627 18.145422 564.6038@7.6152496 "(565.6126, 3809.9375)(566.61926, 948.71747)" 564.6038@7.6152496 FindByFormula + 564.6038 7.6152496 564.9367@7.5985003 "(1130.8641, 682.0)(565.94446, 3962.49)(566.94415, 706.67505)" 564.9367@7.5985003 FindByFormula + 564.9367 7.5985003 565.2621@9.542999 "(564.2536, 1131.88)(565.25604, 399.005)" 565.2621@9.542999 FindByFormula - 565.2621 9.542999 565.2666@16.7594 "(566.27686, 1659.2545)(567.2738, 182.702)(568.26013, 767.745)(604.23004, 336.08798)(588.2573, 6200.765)(589.2613, 1889.011)(590.24976, 663.579)(591.2347, 181.24)" 565.2666@16.7594 FindByFormula + 565.2666 16.7594 566.2135@13.531667 "(567.22125, 4277.57)(568.2244, 1341.04)(569.2309, 463.37)" 566.2135@13.531667 FindByFormula + 566.2135 13.531667 566.2545@21.806 "(567.26025, 5679.1997)(568.26483, 1928.6865)(569.26227, 528.52997)" 566.2545@21.806 FindByFormula + 566.2545 21.806 566.259@26.1655 "(567.2648, 917.025)(568.26526, 447.22498)" 566.259@26.1655 FindByFormula + 566.259 26.1655 566.271@6.5622497 "(565.26294, 1501.7075)(566.26385, 554.0875)" 566.271@6.5622497 FindByFormula - 566.271 6.5622497 567.2159@9.893 "(568.2264, 2228.07)(569.22815, 574.795)(570.23047, 243.94499)(590.2063, 1539.91)(591.207, 252.51)" 567.2159@9.893 FindByFormula + 567.2159 9.893 567.2169@10.926333 "(568.2264, 1330.3134)(569.2299, 513.85004)(570.2304, 249.42334)(590.2114, 430.695)(591.2101, 190.375)" 567.2169@10.926333 FindByFormula + 567.2169 10.926333 567.2478@17.092 "(568.25684, 461.72498)(569.2595, 180.70999)" 567.2478@17.092 FindByFormula + 567.2478 17.092 567.3276@14.732667 "(568.33594, 3403.0432)(569.3387, 1272.9634)(570.3371, 389.06003)" 567.3276@14.732667 FindByFormula + 567.3276 14.732667 568.2882@7.059 "(567.278, 4508.9053)(568.2865, 1389.13)" 568.2882@7.059 FindByFormula - 568.2882 7.059 568.3214@1.131 "(285.1717, 1174.75)(285.6725, 348.67)(569.32837, 15472.65)(570.3303, 7067.46)(571.3262, 2926.81)" 568.3214@1.131 FindByFormula + 568.3214 1.131 568.3934@7.1956673 "(569.40027, 3515.685)(570.3943, 982.92505)(571.40906, 596.22003)(591.37665, 1434.1366)(592.3793, 624.95667)" 568.3934@7.1956673 FindByFormula + 568.3934 7.1956673 569.1292@8.1875 "(570.1382, 2066.26)(571.1435, 849.91003)(572.1442, 865.13)" 569.1292@8.1875 FindByFormula + 569.1292 8.1875 569.3065@15.51725 "(570.3133, 5808.537)(571.3129, 1827.4775)" 569.3065@15.51725 FindByFormula + 569.3065 15.51725 569.3426@16.020798 "(570.3509, 5673.642)(571.35583, 1907.32)(572.34973, 308.464)" 569.3426@16.020798 FindByFormula + 569.3426 16.020798 569.3634@17.269144 "(568.3578, 5426.382)(569.3605, 1652.7042)(570.36237, 436.4683)" 569.3634@17.269144 FindByFormula - 569.3634 17.269144 569.3657@17.26161 "(568.3579, 6219.33)(569.3608, 1918.4579)(570.36487, 253.03001)" 569.3657@17.26161 FindByFormula - 569.3657 17.26161 569.3844@0.9735 "(570.39355, 1491.585)(571.39105, 605.70996)(608.3462, 611.41)(592.3724, 757.41504)" 569.3844@0.9735 FindByFormula + 569.3844 0.9735 571.3292@6.7869997 "(570.33014, 978.755)(571.31805, 425.29498)" 571.3292@6.7869997 FindByFormula - 571.3292 6.7869997 571.3359@7.9589996 "(570.3262, 2377.9333)(571.33, 715.0433)(572.32654, 150.895)" 571.3359@7.9589996 FindByFormula - 571.3359 7.9589996 572.2992@12.904334 "(573.3055, 1011.4001)(574.3052, 364.92334)" 572.2992@12.904334 FindByFormula + 572.2992 12.904334 572.4243@23.67109 "(1183.8198, 377.05)(573.4317, 8331.296)(574.434, 2972.3467)(575.43445, 925.2482)" 572.4243@23.67109 FindByFormula + 572.4243 23.67109 573.0949@8.568 "(1185.1715, 753.0567)(1186.1809, 615.68)(574.1072, 1290.75)(575.1068, 701.6)" 573.0949@8.568 FindByFormula + 573.0949 8.568 573.3099@14.813 "(574.31744, 750.97)(575.31934, 427.09003)" 573.3099@14.813 FindByFormula + 573.3099 14.813 573.3144@7.7153335 "(572.3062, 6309.2104)(573.30426, 2541.4734)" 573.3144@7.7153335 FindByFormula - 573.3144 7.7153335 573.385@13.228126 "(574.3907, 1196.3862)(575.3928, 493.30124)" 573.385@13.228126 FindByFormula + 573.385 13.228126 574.1772@9.854 "(575.1832, 1442.675)(576.18445, 716.425)" 574.1772@9.854 FindByFormula + 574.1772 9.854 574.4065@19.408699 "(575.4116, 4845.307)(576.41455, 1538.552)(577.4095, 348.368)" 574.4065@19.408699 FindByFormula + 574.4065 19.408699 575.1836@14.529667 "(288.5998, 2419.065)(289.1005, 720.95)(576.1963, 1018.46)(577.1908, 290.10498)" 575.1836@14.529667 FindByFormula + 575.1836 14.529667 575.2669@8.854333 "(574.2573, 2543.3499)(575.2604, 759.0967)(576.2569, 280.24332)" 575.2669@8.854333 FindByFormula - 575.2669 8.854333 576.1895@11.3880005 "(577.19916, 6418.9253)(578.2053, 2003.215)(579.2008, 832.95)" 576.1895@11.3880005 FindByFormula + 576.1895 11.3880005 576.2868@1.1485 "(577.2926, 2600.465)(578.2993, 1433.035)" 576.2868@1.1485 FindByFormula + 576.2868 1.1485 576.3304@11.104 "(577.3345, 89250.35)(578.33777, 31302.383)(579.3418, 5428.7217)(580.3412, 1492.28)" 576.3304@11.104 FindByFormula + 576.3304 11.104 576.8207@6.7675 "(577.8297, 1114.525)(578.8262, 282.625)" 576.8207@6.7675 FindByFormula + 576.8207 6.7675 577.2677@17.523499 "(578.27527, 4806.0947)(579.27686, 1461.535)(580.2833, 856.755)" 577.2677@17.523499 FindByFormula + 577.2677 17.523499 579.2679@26.204 "(580.27594, 606.08)(581.2803, 260.68332)" 579.2679@26.204 FindByFormula + 579.2679 26.204 579.2986@1.6815 "(580.3065, 3515.535)(581.3036, 992.94995)(582.3159, 314.21)" 579.2986@1.6815 FindByFormula + 579.2986 1.6815 579.2987@1.8805 "(580.306, 1858.6799)(581.30817, 835.34503)(582.3119, 798.58496)(618.2493, 84.36)" 579.2987@1.8805 FindByFormula + 579.2987 1.8805 579.361@19.0835 "(580.37177, 1491.7399)(581.359, 756.575)(602.35144, 1602.2351)(603.3492, 735.02246)" 579.361@19.0835 FindByFormula + 579.361 19.0835 580.3366@18.5155 "(581.34424, 2271.3901)(582.3479, 853.58)(583.3452, 488.875)" 580.3366@18.5155 FindByFormula + 580.3366 18.5155 580.3409@14.7439995 "(579.3342, 2229.655)(580.33484, 783.645)" 580.3409@14.7439995 FindByFormula - 580.3409 14.7439995 581.3422@18.943712 "(580.33575, 2421.1758)(581.3392, 886.3471)(582.3397, 229.02571)" 581.3422@18.943712 FindByFormula - 581.3422 18.943712 582.2857@8.042 "(583.3004, 5368.385)(584.2982, 2107.01)(585.2962, 238.57)(621.2441, 659.23)(605.2778, 19244.59)(606.2803, 5835.0)(607.2905, 1784.08)" 582.2857@8.042 FindByFormula + 582.2857 8.042 582.3177@26.840166 "(583.32477, 2755.4648)(584.32684, 785.2183)(585.3326, 405.92166)" 582.3177@26.840166 FindByFormula + 582.3177 26.840166 582.3379@7.498 "(581.3314, 1595.925)(582.3323, 507.1)" 582.3379@7.498 FindByFormula - 582.3379 7.498 583.1654@1.9440668 "(1205.302, 593.68567)(584.171, 6637.446)(585.174, 2330.0513)(586.17957, 749.6427)(587.17737, 231.97202)(606.1462, 137.06334)" 583.1654@1.9440668 FindByFormula + 583.1654 1.9440668 583.2163@17.045 "(584.2261, 953.6467)(585.2343, 322.34335)" 583.2163@17.045 FindByFormula + 583.2163 17.045 583.2843@13.246 "(584.29346, 1115.9401)(585.28577, 377.36002)" 583.2843@13.246 FindByFormula + 583.2843 13.246 583.2859@14.814334 "(584.29144, 2126.1934)(585.2929, 789.42)" 583.2859@14.814334 FindByFormula + 583.2859 14.814334 583.5166@24.05775 "(582.50793, 3419.662)(583.5112, 1380.1326)(584.5195, 850.37665)(585.5264, 217.46332)" 583.5166@24.05775 FindByFormula - 583.5166 24.05775 584.2399@20.4895 "(1169.4836, 2164.47)(1170.4775, 1042.01)(1171.4844, 281.43)(585.24896, 12268.625)(586.2493, 3980.56)(587.2512, 911.275)(588.2381, 251.87)(607.23157, 2666.9)(608.23376, 1059.5049)" 584.2399@20.4895 FindByFormula + 584.2399 20.4895 584.2584@24.258331 "(583.25446, 5352.35)(584.2578, 1989.43)(585.2584, 1275.29)" 584.2584@24.258331 FindByFormula - 584.2584 24.258331 584.2642@24.256332 "(583.25574, 1033.13)(584.25934, 392.08667)(585.2606, 165.84)" 584.2642@24.256332 FindByFormula - 584.2642 24.256332 584.8098@7.639 "(585.81866, 2990.745)(586.8236, 1274.62)" 584.8098@7.639 FindByFormula + 584.8098 7.639 585.2965@14.3825 "(586.3056, 5793.685)(587.3087, 2157.3599)" 585.2965@14.3825 FindByFormula + 585.2965 14.3825 585.3176@7.176 "(584.308, 2058.3801)(585.31006, 580.294)" 585.3176@7.176 FindByFormula - 585.3176 7.176 585.3867@6.8356953 "(584.37933, 8015.394)(585.3815, 2648.5933)(586.37946, 657.07916)" 585.3867@6.8356953 FindByFormula - 585.3867 6.8356953 585.6513@9.1475 "(586.66473, 5167.2515)(587.66656, 975.43335)" 585.6513@9.1475 FindByFormula + 585.6513 9.1475 586.2808@9.327 "(587.28845, 1511.6799)(588.29016, 608.07996)" 586.2808@9.327 FindByFormula + 586.2808 9.327 586.2935@14.752501 "(585.2856, 1593.7)(586.2883, 478.91498)" 586.2935@14.752501 FindByFormula - 586.2935 14.752501 586.3469@20.448 "(585.3385, 14129.735)(586.34155, 5317.1104)(587.3436, 1218.045)" 586.3469@20.448 FindByFormula - 586.3469 20.448 588.2941@9.893333 "(589.3022, 21340.586)(590.30475, 8275.396)(591.3155, 1784.7965)(592.3211, 683.69)" 588.2941@9.893333 FindByFormula + 588.2941 9.893333 589.002@7.8655 "(590.00916, 1781.315)(591.0113, 655.975)" 589.002@7.8655 FindByFormula + 589.002 7.8655 589.1438@1.288 "(590.1505, 1391.56)(591.1447, 555.76)(628.1157, 200.76)" 589.1438@1.288 FindByFormula + 589.1438 1.288 589.3039@6.5685 "(588.29675, 2794.5752)(589.3021, 785.67)" 589.3039@6.5685 FindByFormula - 589.3039 6.5685 589.3155@14.039333 "(590.3212, 8911.207)(591.32477, 3234.923)(592.32574, 928.82)" 589.3155@14.039333 FindByFormula + 589.3155 14.039333 590.2997@11.278 "(591.3085, 2782.2002)(592.3125, 775.605)(593.3264, 686.95)(613.2916, 1592.89)(614.2798, 443.615)" 590.2997@11.278 FindByFormula + 590.2997 11.278 590.3074@8.378 "(591.3169, 1917.165)(592.32605, 920.30005)" 590.3074@8.378 FindByFormula + 590.3074 8.378 590.3114@9.090333 "(589.30615, 6957.2734)(590.3071, 2600.25)(591.3198, 1285.2)" 590.3114@9.090333 FindByFormula - 590.3114 9.090333 590.3444@9.686501 "(591.3513, 4546.81)(592.34705, 2506.35)(593.345, 3502.2651)" 590.3444@9.686501 FindByFormula + 590.3444 9.686501 591.7884@27.4065 "(592.7927, 796.39)(593.79346, 284.8)(594.78235, 405.135)" 591.7884@27.4065 FindByFormula + 591.7884 27.4065 592.2313@8.681666 "(593.2383, 4073.0498)(594.2413, 1413.1068)" 592.2313@8.681666 FindByFormula + 592.2313 8.681666 592.3243@12.035571 "(593.6198, 29576.11)(594.623, 12613.375)(595.7453, 5029.316)(596.3386, 178.48)(615.3132, 10029.47)(616.3143, 4045.452)(617.3186, 730.60504)" 592.3243@12.035571 FindByFormula + 592.3243 12.035571 592.6535@6.8085 "(593.66144, 2031.225)(594.6592, 551.665)" 592.6535@6.8085 FindByFormula + 592.6535 6.8085 593.3276@9.0876665 "(594.33374, 8319.57)(595.3408, 2461.5933)(596.3426, 367.93668)" 593.3276@9.0876665 FindByFormula + 593.3276 9.0876665 594.2805@19.071 "(595.28894, 1540.4751)(596.3029, 651.415)" 594.2805@19.071 FindByFormula + 594.2805 19.071 595.3303@1.893 "(596.3386, 2433.1865)(597.3388, 860.73)(598.3435, 250.25)" 595.3303@1.893 FindByFormula + 595.3303 1.893 596.3207@7.608 "(1215.6301, 707.885)(1216.6348, 697.35)" 596.3207@7.608 FindByFormula + 596.3207 7.608 597.4076@14.5015 "(598.4148, 2549.21)(599.4168, 813.66)(636.36084, 837.33997)(620.3981, 3427.5652)(621.3994, 1515.6)(622.3967, 349.16)" 597.4076@14.5015 FindByFormula + 597.4076 14.5015 598.3061@17.6715 "(597.29987, 3802.1816)(598.3033, 1326.965)(599.30914, 214.36751)" 598.3061@17.6715 FindByFormula - 598.3061 17.6715 598.3153@1.6193333 "(597.30444, 2859.0234)(598.3088, 783.38007)" 598.3153@1.6193333 FindByFormula - 598.3153 1.6193333 598.3206@8.2208 "(599.31854, 3693.3801)(600.31714, 1181.4861)(601.32104, 815.74)" 598.3206@8.2208 FindByFormula + 598.3206 8.2208 599.1412@1.931 "(1200.315, 499.33)(1222.2968, 1239.24)(600.1507, 3054.105)(601.15234, 1389.065)(602.1598, 1800.05)" 599.1412@1.931 FindByFormula + 599.1412 1.931 599.243@12.771667 "(600.2465, 919.09)(601.2456, 404.39334)" 599.243@12.771667 FindByFormula + 599.243 12.771667 599.3393@1.8764999 "(600.3523, 8807.6)(601.35156, 3289.315)(622.3299, 5148.76)" 599.3393@1.8764999 FindByFormula + 599.3393 1.8764999 5-Azauridine "5-Azauridine [ C8 H11 N3 O6, db=59.37, tgt=, overall=59.37, CAS ID=1476-82-0, METLIN ID=686 ]" 1476-82-0 "(268.05444, 2332.94)(269.0604, 504.2)(270.04883, 238.315)" 5-Azauridine FindByFormula + 267.0459 0.95949996 5beta-Androstan-3alpha-ol-17-one sulfate "5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=91.66, tgt=, overall=91.66, CAS ID=977-36-6, METLIN ID=3564 ]" 977-36-6 "(369.17273, 2706.7856)(370.1758, 667.8344)(371.17218, 204.12)" 5beta-Androstan-3alpha-ol-17-one sulfate FindByFormula - 370.1796 11.359223 5beta-Androstan-3alpha-ol-17-one sulfate - 11.331 "5beta-Androstan-3alpha-ol-17-one sulfate [ C19 H30 O5 S, db=86.19, tgt=, overall=86.19, CAS ID=977-36-6, METLIN ID=3564 ]" 977-36-6 "(369.17337, 3337.8218)(370.17633, 843.512)(371.167, 110.74)" 5beta-Androstan-3alpha-ol-17-one sulfate - 11.331 FindByFormula - 370.1806 11.331 "5beta-Chola-3,8(14),11-trien-24-oic Acid" "5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, db=88.71, tgt=, overall=88.71, METLIN ID=42906 ]" "(355.26196, 8163.0845)(356.26566, 2462.6758)(357.26294, 422.02)" "5beta-Chola-3,8(14),11-trien-24-oic Acid" FindByFormula + 354.2579 10.088142 "5beta-Chola-3,8(14),11-trien-24-oic Acid + 10.162666" "5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, db=88.69, tgt=, overall=88.69, METLIN ID=42906 ]" "(355.26224, 6403.5)(356.2659, 2070.0166)(357.2679, 585.69495)" "5beta-Chola-3,8(14),11-trien-24-oic Acid + 10.162666" FindByFormula + 354.2566 10.162666 "5beta-Chola-3,8(14),11-trien-24-oic Acid + 11.402667" "5beta-Chola-3,8(14),11-trien-24-oic Acid [ C24 H34 O2, db=97.07, tgt=, overall=97.07, METLIN ID=42906 ]" "(355.26218, 35017.46)(356.26596, 9415.9795)(357.27197, 1244.625)" "5beta-Chola-3,8(14),11-trien-24-oic Acid + 11.402667" FindByFormula + 354.2542 11.402667 "5beta-Chola-7,9(11)-dien-24-oic Acid" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=98.87, tgt=, overall=98.87, METLIN ID=42907 ]" "(357.2785, 40118.277)(358.2817, 11263.743)(359.28412, 1718.7229)" "5beta-Chola-7,9(11)-dien-24-oic Acid" FindByFormula + 356.2707 13.645998 "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.104335" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=81.00, tgt=, overall=81.00, METLIN ID=42907 ]" "(357.27872, 6657.3867)(358.28177, 1977.5668)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.104335" FindByFormula + 356.2723 11.104335 "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.104335 :1" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=81.00, tgt=, overall=81.00, METLIN ID=42907 ]" "(357.27872, 6657.3867)(358.28177, 1977.5668)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.104335 :1" FindByFormula + 356.27 11.104335 "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.104335 :2" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=96.60, tgt=, overall=96.60, METLIN ID=42907 ]" "(357.2788, 6429.66)(358.28177, 1941.0668)(359.2852, 404.68)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.104335 :2" FindByFormula + 356.2711 11.104335 "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.702499" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=88.49, tgt=, overall=88.49, METLIN ID=42907 ]" "(357.2785, 1607.9451)(358.28076, 501.19)(359.2727, 33.38)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 11.702499" FindByFormula + 356.2705 11.702499 "5beta-Chola-7,9(11)-dien-24-oic Acid + 12.3505" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=88.88, tgt=, overall=88.88, METLIN ID=42907 ]" "(357.2786, 8314.705)(358.286, 2268.77)(359.2788, 214.45)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 12.3505" FindByFormula + 356.2722 12.3505 "5beta-Chola-7,9(11)-dien-24-oic Acid + 13.613334" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=98.15, tgt=, overall=98.15, METLIN ID=42907 ]" "(357.2792, 49033.312)(358.28207, 13853.793)(359.28354, 2371.1326)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 13.613334" FindByFormula + 356.2724 13.613334 "5beta-Chola-7,9(11)-dien-24-oic Acid + 13.632721" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=99.29, tgt=, overall=99.29, METLIN ID=42907 ]" "(357.27893, 41861.72)(358.28198, 11656.947)(359.28452, 1932.6925)(360.2892, 85.8)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 13.632721" FindByFormula + 356.2711 13.632721 "5beta-Chola-7,9(11)-dien-24-oic Acid + 13.695285" "5beta-Chola-7,9(11)-dien-24-oic Acid [ C24 H36 O2, db=98.93, tgt=, overall=98.93, METLIN ID=42907 ]" "(357.27872, 41710.957)(358.2817, 11746.288)(359.28397, 1785.4557)(360.2892, 85.8)" "5beta-Chola-7,9(11)-dien-24-oic Acid + 13.695285" FindByFormula + 356.2711 13.695285 "5beta-Cholestane-3alpha,6alpha,7alpha,25,26-pentol" "5beta-Cholestane-3alpha,6alpha,7alpha,25,26-pentol [ C27 H48 O5, db=96.30, tgt=, overall=96.30, METLIN ID=43041 ]" "(475.33884, 8981.743)(476.34174, 2843.4824)(477.3421, 537.70715)" "5beta-Cholestane-3alpha,6alpha,7alpha,25,26-pentol" FindByFormula + 474.3332 11.486875 "5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol" "5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol [ C27 H48 O6, db=65.41, tgt=, overall=65.41, METLIN ID=43045 ]" "(491.33316, 3490.774)(492.3351, 1138.25)(493.33057, 506.94995)" "5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol" FindByFormula + 490.3273 10.2352 "5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol + 9.996" "5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol [ C27 H48 O6, db=85.55, tgt=, overall=85.55, METLIN ID=43045 ]" "(491.3346, 8334.855)(492.3369, 2419.37)(493.3314, 762.72)" "5beta-Cholestane-3alpha,7alpha,12alpha,24,25,26-hexol + 9.996" FindByFormula + 490.3268 9.996 5-Butyl-2-ethyloxazole "5-Butyl-2-ethyloxazole [ C9 H15 N O, db=82.84, tgt=, overall=82.84, CAS ID=77311-04-7, HMP ID=HMDB37862, METLIN ID=92668 ]" 77311-04-7 "(154.1225, 6289.662)(155.12491, 856.1481)" 5-Butyl-2-ethyloxazole FindByFormula HMDB37862 + 153.1153 1.4254 5-deoxy-J2-IsoP "5-deoxy-J2-IsoP [ C20 H28 O3, db=71.13, tgt=, overall=71.13, Lipid ID=LMFA03110075, METLIN ID=75120 ]" "(317.20975, 3456.3098)(318.2134, 999.37994)" 5-deoxy-J2-IsoP FindByFormula + LMFA03110075 316.2027 11.857667 5-Hexenyl glucosinolate "5-Hexenyl glucosinolate [ C13 H23 N O9 S2, db=89.70, tgt=, overall=89.70, CAS ID=76265-24-2, HMP ID=HMDB38416, METLIN ID=93114 ]" 76265-24-2 "(424.0707, 5079.0063)(425.07455, 1121.3367)(426.0709, 748.9433)" 5-Hexenyl glucosinolate FindByFormula HMDB38416 + 423.061 1.1273334 5-HIAA / 5-Hydroxy-3-indoleacetic acid "5-HIAA / 5-Hydroxy-3-indoleacetic acid [ C10 H9 N O3, db=77.28, tgt=, overall=77.28, CAS ID=54-16-0, Lipid ID=, KEGG ID=C05635, HMP ID=HMDB00763, METLIN ID=2975, AGILENTID=29706 ]" 54-16-0 "(192.06636, 4180.308)(193.06754, 605.088)(214.04887, 331.80997)" 5-HIAA / 5-Hydroxy-3-indoleacetic acid FindByFormula HMDB00763 + C05635 191.0585 1.9638001 5-HIAA / 5-Hydroxy-3-indoleacetic acid - 7.192 "5-HIAA / 5-Hydroxy-3-indoleacetic acid [ C10 H9 N O3, db=83.27, tgt=, overall=83.27, CAS ID=54-16-0, Lipid ID=, KEGG ID=C05635, HMP ID=HMDB00763, METLIN ID=2975, AGILENTID=29706 ]" 54-16-0 "(190.05106, 2624.105)(191.05264, 277.665)" 5-HIAA / 5-Hydroxy-3-indoleacetic acid - 7.192 FindByFormula HMDB00763 - C05635 191.0582 7.192 5'-Hydroxyhydrodolasetron; MDL 102382 "5'-Hydroxyhydrodolasetron; MDL 102382 [ C19 H22 N2 O4, db=78.83, tgt=, overall=78.83, CAS ID=160433-43-2, METLIN ID=2357 ]" 160433-43-2 "(343.164, 8907.855)(344.16687, 2096.9412)(365.1471, 547.3625)(366.1476, 460.73)" 5'-Hydroxyhydrodolasetron; MDL 102382 FindByFormula + 342.1566 9.118625 5'-Hydroxyhydrodolasetron; MDL 102382 + 9.0995 "5'-Hydroxyhydrodolasetron; MDL 102382 [ C19 H22 N2 O4, db=79.53, tgt=, overall=79.53, CAS ID=160433-43-2, METLIN ID=2357 ]" 160433-43-2 "(343.1641, 7054.492)(344.16852, 1672.1125)(365.15, 638.62)" 5'-Hydroxyhydrodolasetron; MDL 102382 + 9.0995 FindByFormula + 342.1551 9.0995 5'-Hydroxyhydrodolasetron; MDL 102382 + 9.147333 "5'-Hydroxyhydrodolasetron; MDL 102382 [ C19 H22 N2 O4, db=88.33, tgt=, overall=88.33, CAS ID=160433-43-2, METLIN ID=2357 ]" 160433-43-2 "(641.349, 1308.19)(642.3459, 351.15)(663.3375, 5385.76)(664.3358, 1041.67)(321.1813, 7192.84)(322.18375, 1327.0)(323.1889, 201.60501)(359.134, 9521.99)(360.1405, 1248.08)(343.16455, 26130.154)(344.16702, 4608.18)(345.1778, 1277.99)" 5'-Hydroxyhydrodolasetron; MDL 102382 + 9.147333 FindByFormula + 320.1739 9.147333 5'-Methylthioadenosine "5'-Methylthioadenosine [ C11 H15 N5 O3 S, db=96.83, tgt=, overall=96.83, CAS ID=2457-80-9, KEGG ID=C00170, HMP ID=HMDB01173, METLIN ID=3425, AGILENTID=29707 ]" 2457-80-9 "(298.0971, 8073.48)(299.09814, 1259.7145)(300.09613, 550.50555)(320.079, 1563.1683)(321.08102, 261.16165)" 5'-Methylthioadenosine FindByFormula HMDB01173 + C00170 297.0898 5.101222 5-Methylthiopentanaldoxime "5-Methylthiopentanaldoxime [ C6 H13 N O S, db=49.92, tgt=, overall=49.92, CAS ID=, KEGG ID=C17245, METLIN ID=64513 ]" "(170.06032, 1327.3134)(171.06099, 286.76334)" 5-Methylthiopentanaldoxime FindByFormula + C17245 169.0526 4.4096665 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid "5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid [ C14 H24 O4, db=92.43, tgt=, overall=92.43, CAS ID=, HMP ID=HMDB30993, METLIN ID=87337 ]" "(279.15686, 32914.5)(280.1596, 5249.19)(281.15384, 1291.7367)" 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid FindByFormula HMDB30993 + 278.149 2.5181668 5-O-Desmethyldonepezil "5-O-Desmethyldonepezil [ C23 H27 N O3, db=76.57, tgt=, overall=76.57, CAS ID=, HMP ID=HMDB13958, METLIN ID=85320 ]" "(364.19086, 5049.96)(365.1929, 1080.9299)" 5-O-Desmethyldonepezil FindByFormula HMDB13958 - 365.197 8.0725 5'-Oxoinosine "5'-Oxoinosine [ C10 H10 N4 O5, db=55.18, tgt=, overall=55.18, KEGG ID=C01993, METLIN ID=65692 ]" "(267.07324, 1105.73)(268.07227, 299.315)" 5'-Oxoinosine FindByFormula + C01993 266.0647 3.994 5'-S-Methyl-5'-thioinosine "5'-S-Methyl-5'-thioinosine [ C11 H14 N4 O4 S, db=90.43, tgt=, overall=90.43, CAS ID=17298-58-7, KEGG ID=C19787, METLIN ID=73361 ]" 17298-58-7 "(321.0623, 3505.048)(322.06265, 465.602)(323.0586, 258.572)" 5'-S-Methyl-5'-thioinosine FindByFormula + C19787 320.0555 6.7116 "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone" "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone [ C33 H46 O7, db=90.62, tgt=, overall=90.62, CAS ID=, KEGG ID=C11961, METLIN ID=63702 ]" "(553.3156, 3573.6)(554.3183, 1294.635)(555.31885, 329.5275)" "6,8a-Seco-6,8a-deoxy-5-oxoavermectin ''1b'' aglycone" FindByFormula - C11961 554.3231 11.6585 "6,8-Di-C-methylmyricetin 4'-methyl ether" "6,8-Di-C-methylmyricetin 4'-methyl ether [ C18 H16 O8, db=59.07, tgt=, overall=59.07, Lipid ID=LMPK12112505, METLIN ID=50921 ]" "(359.0776, 6181.84)(360.081, 894.605)(361.07703, 2352.8599)" "6,8-Di-C-methylmyricetin 4'-methyl ether" FindByFormula - LMPK12112505 360.085 0.96000004 "6,8-Diprenylorobol" "6,8-Diprenylorobol [ C25 H26 O6, mfg=55.26, db=54.94, tgt=, overall=55.10, CAS ID=66777-70-6, Lipid ID=LMPK12050240, KEGG ID=, HMP ID=, METLIN ID=47748, AGILENTID=29404 ]" 66777-70-6 "(423.17813, 1558.9939)(424.17853, 503.82797)" "6,8-Diprenylorobol" FindByFormula + LMPK12050240 422.1691 13.4944 "6,9-Heptadecadiynoic acid" "6,9-Heptadecadiynoic acid [ C17 H26 O2, db=80.57, tgt=, overall=80.57, Lipid ID=LMFA01030477, METLIN ID=74134 ]" "(263.20074, 2981.411)(264.20258, 653.79913)" "6,9-Heptadecadiynoic acid" FindByFormula + LMFA01030477 262.1931 13.679636 6?-Glucuronosylhyodeoxycholate "6?-Glucuronosylhyodeoxycholate [ C30 H48 O10, db=93.76, tgt=, overall=93.76, CAS ID=76060-17-8, Lipid ID=LMST05010016, KEGG ID=C11246, METLIN ID=43177 ]" 76060-17-8 "(567.3172, 4388.4697)(568.32275, 1336.0449)(569.3255, 383.38)" 6?-Glucuronosylhyodeoxycholate FindByFormula - C11246 LMST05010016 568.3221 8.537 6?-Methylprednisolone "6?-Methylprednisolone [ C22 H30 O5, mfg=75.58, db=76.71, tgt=, overall=38.35, CAS ID=83-43-2, Lipid ID=LMST02030178, KEGG ID=D00407, HMP ID=HMDB15094, METLIN ID=1234 ]" 83-43-2 "(397.19812, 4517.691)(398.20334, 1284.3032)" 6?-Methylprednisolone FindByFormula HMDB15094 + D00407 LMST02030178 396.1891 10.467777 6?-Methylprednisolone acetate "6?-Methylprednisolone acetate [ C24 H32 O6, db=80.50, tgt=, overall=80.50, CAS ID=53-36-1, KEGG ID=C08179, METLIN ID=43896 ]" 53-36-1 "(417.22647, 7831.326)(418.22983, 2135.8643)(439.20874, 2413.29)" 6?-Methylprednisolone acetate FindByFormula + C08179 416.2198 10.1628 6?-Methylprednisolone acetate + 10.1335 "6?-Methylprednisolone acetate [ C24 H32 O6, db=75.97, tgt=, overall=75.97, CAS ID=53-36-1, KEGG ID=C08179, METLIN ID=43896 ]" 53-36-1 "(417.22635, 6904.715)(418.22968, 2150.04)(439.2078, 1359.48)" 6?-Methylprednisolone acetate + 10.1335 FindByFormula + C08179 416.221 10.1335 6?-Methylprednisolone acetate + 10.2338 "6?-Methylprednisolone acetate [ C24 H32 O6, db=71.48, tgt=, overall=71.48, CAS ID=53-36-1, KEGG ID=C08179, METLIN ID=43896 ]" 53-36-1 "(417.2259, 4269.6523)(418.22958, 1409.086)(439.2072, 777.38)" 6?-Methylprednisolone acetate + 10.2338 FindByFormula + C08179 416.2186 10.2338 6?-Methylprednisolone acetate + 10.241333 "6?-Methylprednisolone acetate [ C24 H32 O6, db=73.91, tgt=, overall=73.91, CAS ID=53-36-1, KEGG ID=C08179, METLIN ID=43896 ]" 53-36-1 "(417.22592, 6673.4595)(418.22934, 2079.8035)" 6?-Methylprednisolone acetate + 10.241333 FindByFormula + C08179 416.2191 10.241333 6?-Methylprednisolone acetate + 10.5263 "6?-Methylprednisolone acetate [ C24 H32 O6, db=72.91, tgt=, overall=72.91, CAS ID=53-36-1, KEGG ID=C08179, METLIN ID=43896 ]" 53-36-1 "(417.22592, 4696.5967)(418.2298, 1510.487)(439.20844, 670.454)" 6?-Methylprednisolone acetate + 10.5263 FindByFormula + C08179 416.2188 10.5263 6?-Methylprednisolone acetate + 10.550666 "6?-Methylprednisolone acetate [ C24 H32 O6, db=75.31, tgt=, overall=75.31, CAS ID=53-36-1, KEGG ID=C08179, METLIN ID=43896 ]" 53-36-1 "(417.22568, 3576.6943)(418.22934, 1207.5734)(419.24063, 478.22668)(439.2056, 409.0367)(440.22, 69.87)" 6?-Methylprednisolone acetate + 10.550666 FindByFormula + C08179 416.2177 10.550666 6?-Methylprednisolone acetate + 10.569285 "6?-Methylprednisolone acetate [ C24 H32 O6, db=69.69, tgt=, overall=69.69, CAS ID=53-36-1, KEGG ID=C08179, METLIN ID=43896 ]" 53-36-1 "(417.22574, 5031.68)(418.2298, 1697.3357)" 6?-Methylprednisolone acetate + 10.569285 FindByFormula + C08179 416.2186 10.569285 600.2024@26.559 "(601.20874, 1361.0167)(602.2138, 457.80664)" 600.2024@26.559 FindByFormula + 600.2024 26.559 600.3239@27.612 "(599.31537, 2198.3098)(600.31836, 809.45)(601.3196, 239.14)" 600.3239@27.612 FindByFormula - 600.3239 27.612 600.3386@8.624001 "(599.3312, 1245.025)(600.3339, 389.69)" 600.3386@8.624001 FindByFormula - 600.3386 8.624001 600.3398@7.5715 "(599.3332, 893.895)(600.3391, 391.255)" 600.3398@7.5715 FindByFormula - 600.3398 7.5715 600.3527@8.613334 "(599.34186, 2361.2532)(600.34106, 804.3367)(601.3418, 212.60999)" 600.3527@8.613334 FindByFormula - 600.3527 8.613334 600.6619@9.201 "(601.6712, 8212.755)(602.6837, 755.0)" 600.6619@9.201 FindByFormula + 600.6619 9.201 601.1636@1.92575 "(602.16895, 1593.21)(603.1736, 753.16003)(604.1613, 1215.955)(640.12616, 5834.9023)(624.1515, 4204.795)(625.1574, 2187.18)(626.15405, 1283.88)" 601.1636@1.92575 FindByFormula + 601.1636 1.92575 601.3394@19.014 "(602.3489, 1804.545)(603.34674, 763.44)(604.3479, 261.86)" 601.3394@19.014 FindByFormula + 601.3394 19.014 601.3579@6.858667 "(1203.7191, 4907.21)(1204.717, 3401.7998)(1205.7157, 1742.7476)(602.35657, 1038.955)(603.3477, 710.75)" 601.3579@6.858667 FindByFormula + 601.3579 6.858667 602.106@1.288 "(1243.1643, 118.76)(603.1137, 1091.925)(604.11426, 462.485)" 602.106@1.288 FindByFormula + 602.106 1.288 602.3338@7.817 "(601.328, 595.85)(602.3205, 366.13998)" 602.3338@7.817 FindByFormula - 602.3338 7.817 602.6597@6.9560003 "(603.66626, 1377.27)(604.6614, 445.735)" 602.6597@6.9560003 FindByFormula + 602.6597 6.9560003 602.7854@27.404999 "(302.4019, 1188.9867)(302.90024, 460.11337)" 602.7854@27.404999 FindByFormula + 602.7854 27.404999 603.2166@16.839333 "(1207.4589, 526.21)(302.61542, 1449.4701)(303.11792, 507.03998)(604.228, 1063.54)(605.22186, 554.99)" 603.2166@16.839333 FindByFormula + 603.2166 16.839333 603.3018@1.1516668 "(604.30914, 2888.3066)(605.3085, 1114.34)(606.3084, 743.87006)(626.2701, 194.97)" 603.3018@1.1516668 FindByFormula + 603.3018 1.1516668 603.3213@7.3980002 "(602.315, 3490.09)(603.3164, 1075.62)(604.3059, 607.745)" 603.3213@7.3980002 FindByFormula - 603.3213 7.3980002 603.3586@2.9515 "(602.3507, 1006.135)(603.35535, 301.28)" 603.3586@2.9515 FindByFormula - 603.3586 2.9515 603.7844@27.292156 "(604.7919, 5553.692)(605.7927, 551.85767)(606.789, 362.37924)" 603.7844@27.292156 FindByFormula + 603.7844 27.292156 603.7846@27.32343 "(604.7925, 5833.6533)(605.7943, 680.34216)(606.78876, 440.3414)" 603.7846@27.32343 FindByFormula + 603.7846 27.32343 603.786@27.301151 "(604.79266, 5641.749)(605.79376, 563.3945)(606.78986, 408.2375)" 603.786@27.301151 FindByFormula + 603.786 27.301151 603.9934@6.9685 "(605.0047, 1389.145)(606.0156, 598.085)" 603.9934@6.9685 FindByFormula + 603.9934 6.9685 604.3079@26.0737 "(605.3142, 3988.9265)(606.3164, 1381.2511)(607.31934, 303.495)" 604.3079@26.0737 FindByFormula + 604.3079 26.0737 604.7861@6.8809996 "(1210.5801, 6213.205)(1211.5842, 3774.875)(1212.5886, 1617.2)(1213.5767, 840.11)(605.79315, 2248.585)(606.7924, 580.68)(607.7875, 560.86)" 604.7861@6.8809996 FindByFormula + 604.7861 6.8809996 604.8926@25.42 "(605.89874, 529.325)(606.89844, 108.145004)" 604.8926@25.42 FindByFormula + 604.8926 25.42 605.3083@8.908334 "(604.29877, 720.64667)(605.3005, 385.88333)" 605.3083@8.908334 FindByFormula - 605.3083 8.908334 605.345@18.502 "(606.35187, 1638.4434)(607.3533, 682.34674)(608.3511, 465.88333)" 605.345@18.502 FindByFormula + 605.345 18.502 606.3061@9.5824995 "(607.60297, 3693.01)(608.31714, 1436.4567)(609.32837, 1329.7867)(645.2665, 392.59)(629.2948, 2110.3838)(630.2974, 963.3175)(631.3107, 1183.0)" 606.3061@9.5824995 FindByFormula + 606.3061 9.5824995 606.3077@10.26275 "(607.3128, 6507.5527)(608.317, 2563.3374)(609.3252, 2133.365)(646.2764, 324.71)(629.29364, 3035.2)(630.2996, 1130.7933)" 606.3077@10.26275 FindByFormula + 606.3077 10.26275 606.4118@24.740377 "(605.4032, 3925.8198)(606.40686, 1545.0437)(607.4062, 383.625)" 606.4118@24.740377 FindByFormula - 606.4118 24.740377 607.7633@28.4695 "(608.7727, 764.45996)(609.7728, 162.075)" 607.7633@28.4695 FindByFormula + 607.7633 28.4695 607.7668@27.486 "(608.7734, 3912.653)(609.77594, 933.26337)" 607.7668@27.486 FindByFormula + 607.7668 27.486 607.7676@27.463856 "(608.7735, 2977.8943)(609.7755, 686.3129)" 607.7676@27.463856 FindByFormula + 607.7676 27.463856 607.7681@27.907501 "(608.7726, 393.99)(609.78174, 91.09)" 607.7681@27.907501 FindByFormula + 607.7681 27.907501 607.7688@27.068335 "(608.77576, 2196.84)(609.77686, 577.5333)" 607.7688@27.068335 FindByFormula + 607.7688 27.068335 608.3222@8.486 "(607.3165, 603.05005)(608.31537, 281.905)" 608.3222@8.486 FindByFormula - 608.3222 8.486 609.3924@18.508001 "(610.4004, 5457.5767)(611.39996, 1377.8534)" 609.3924@18.508001 FindByFormula + 609.3924 18.508001 609.7629@6.5872498 "(1220.5322, 40319.734)(1221.5343, 23843.195)(1222.5365, 10167.09)(610.7728, 19609.64)(611.77563, 5516.43)" 609.7629@6.5872498 FindByFormula + 609.7629 6.5872498 610.1107@1.2953334 "(1221.2227, 976.97)(1222.21, 643.42)(611.1177, 5547.81)(612.12445, 2118.425)(613.1255, 621.48)(649.08356, 730.485)(650.0786, 209.72)(633.10016, 2217.2866)(634.0976, 773.37665)(635.1179, 375.47)" 610.1107@1.2953334 FindByFormula + 610.1107 1.2953334 610.3351@9.7665 "(611.3439, 3989.58)(612.3468, 1702.88)(613.35156, 457.45502)(633.3232, 3903.41)(634.33, 2150.73)" 610.3351@9.7665 FindByFormula + 610.3351 9.7665 610.3355@9.7628 "(1243.6732, 246.51)(611.3418, 3382.0078)(612.34436, 1267.002)(613.34644, 744.0)(614.3349, 76.33)(633.3248, 4692.5146)(634.3269, 1983.87)(635.3416, 1207.28)" 610.3355@9.7628 FindByFormula + 610.3355 9.7628 610.336@8.8895 "(611.34406, 22446.305)(612.3452, 8711.332)(613.3486, 2119.098)(633.32404, 2836.7969)(634.33716, 1549.405)" 610.336@8.8895 FindByFormula + 610.336 8.8895 610.3377@8.642 "(611.3424, 12969.039)(612.3436, 5549.99)(613.348, 649.455)(633.3363, 1718.81)" 610.3377@8.642 FindByFormula + 610.3377 8.642 610.3381@9.7585 "(1221.7018, 299.48)(611.3447, 4776.14)(612.3468, 2041.3301)(613.3531, 907.12)(649.3036, 954.05)(650.3131, 695.47)(633.32715, 5091.3096)(634.32996, 1944.29)" 610.3381@9.7585 FindByFormula + 610.3381 9.7585 612.1905@1.23 "(651.1551, 6073.235)(652.1549, 3350.35)(635.1791, 8803.695)(636.1841, 2721.665)(637.19495, 2549.51)(638.1875, 465.03)" 612.1905@1.23 FindByFormula + 612.1905 1.23 612.3519@10.038833 "(611.3409, 1334.5533)(612.3422, 563.55005)" 612.3519@10.038833 FindByFormula - 612.3519 10.038833 612.3605@9.923333 "(611.3487, 1872.2667)(612.3497, 758.17)" 612.3605@9.923333 FindByFormula - 612.3605 9.923333 613.1669@11.727333 "(614.1754, 1657.215)(615.17725, 595.295)" 613.1669@11.727333 FindByFormula + 613.1669 11.727333 613.3777@6.93025 "(612.37177, 774.5925)(613.37274, 342.97498)" 613.3777@6.93025 FindByFormula - 613.3777 6.93025 614.1378@20.513 "(615.1437, 2971.715)(616.148, 820.10004)(617.1474, 338.6325)" 614.1378@20.513 FindByFormula + 614.1378 20.513 614.305@12.131572 "(1267.5742, 110.73)(1252.1086, 349.51)(1252.5989, 70.26)(615.3127, 46137.418)(616.3138, 18648.893)(617.3267, 618.22)(653.2602, 2137.39)(654.2609, 825.13)(655.2676, 398.56)" 614.305@12.131572 FindByFormula + 614.305 12.131572 614.3475@7.9935 "(1267.646, 923.58)(1268.6198, 213.79)(615.3474, 59493.277)(616.34875, 18475.49)(617.34546, 3644.5)(637.331, 67845.33)(638.33844, 31590.385)(639.3456, 12498.83)" 614.3475@7.9935 FindByFormula + 614.3475 7.9935 614.4005@10.8614 "(615.40454, 2264.146)(616.40955, 904.812)(637.3834, 914.11)" 614.4005@10.8614 FindByFormula + 614.4005 10.8614 615.3585@7.9995 "(614.3539, 1631.075)(615.3538, 514.875)(616.3538, 204.06)" 615.3585@7.9995 FindByFormula - 615.3585 7.9995 615.3586@7.70875 "(614.354, 1792.1226)(615.35376, 624.5325)" 615.3586@7.70875 FindByFormula - 615.3586 7.70875 615.3606@4.2425003 "(308.6887, 1056.03)(309.189, 447.01)(309.6852, 56.74)(616.3627, 736.81)(617.36145, 178.015)(618.3544, 116.63)(638.3476, 345.87)(639.345, 215.96)(640.3576, 50.75)" 615.3606@4.2425003 FindByFormula + 615.3606 4.2425003 615.3645@8.2145 "(614.3557, 1498.72)(615.35504, 506.12)" 615.3645@8.2145 FindByFormula - 615.3645 8.2145 615.3671@7.6573334 "(614.35516, 1386.8766)(615.3543, 581.02)" 615.3671@7.6573334 FindByFormula - 615.3671 7.6573334 616.2583@16.42 "(617.26556, 4322.8)(618.267, 1469.82)" 616.2583@16.42 FindByFormula + 616.2583 16.42 616.3002@24.026001 "(617.3091, 1339.76)(618.31055, 435.26)" 616.3002@24.026001 FindByFormula + 616.3002 24.026001 616.3206@11.963 "(617.32745, 25985.701)(618.3313, 10792.138)" 616.3206@11.963 FindByFormula + 616.3206 11.963 616.3269@7.0395 "(617.33923, 1098.725)(618.33325, 699.69)" 616.3269@7.0395 FindByFormula + 616.3269 7.0395 616.3581@7.34825 "(617.36206, 27704.07)(618.3569, 9034.737)(619.35956, 3619.6133)(620.3665, 838.27)(655.3172, 1802.81)(639.3415, 11330.511)(640.3418, 3747.4434)(641.34106, 1766.275)" 616.3581@7.34825 FindByFormula + 616.3581 7.34825 616.3597@7.3529997 "(615.3528, 17726.324)(616.35364, 5275.8853)(617.3544, 483.33)" 616.3597@7.3529997 FindByFormula - 616.3597 7.3529997 616.4535@23.606 "(617.45856, 13465.489)(618.46246, 4822.6733)(619.4539, 1542.54)(620.46313, 594.505)" 616.4535@23.606 FindByFormula + 616.4535 23.606 616.6482@7.1735 "(617.65625, 5267.955)(618.6565, 1096.285)" 616.6482@7.1735 FindByFormula + 616.6482 7.1735 617.2284@15.2106 "(618.2361, 1026.306)(619.2356, 367.224)(620.2376, 103.68)" 617.2284@15.2106 FindByFormula + 617.2284 15.2106 617.348@7.348 "(618.357, 3372.06)(619.35815, 1729.56)" 617.348@7.348 FindByFormula + 617.348 7.348 617.6939@8.0060005 "(618.69965, 1035.46)(619.70593, 545.69)" 617.6939@8.0060005 FindByFormula + 617.6939 8.0060005 618.3432@7.6134996 "(617.33466, 9359.355)(618.33655, 2080.3425)(619.3378, 404.28998)" 618.3432@7.6134996 FindByFormula - 618.3432 7.6134996 618.4794@25.3715 "(619.48553, 2483.28)(620.48486, 1344.37)(621.48694, 278.645)(641.4702, 997.92)(642.4702, 127.07)" 618.4794@25.3715 FindByFormula + 618.4794 25.3715 620.1509@1.918 "(1280.2577, 519.36)(1263.2827, 1654.075)(621.16455, 5043.0747)(622.1692, 2379.8699)(623.1699, 1226.8201)(643.1488, 1144.205)" 620.1509@1.918 FindByFormula + 620.1509 1.918 620.2919@15.185445 "(619.2845, 16208.476)(620.28766, 5215.3457)(621.2899, 527.47797)(622.29376, 36.605003)" 620.2919@15.185445 FindByFormula - 620.2919 15.185445 620.5711@7.213 "(621.5763, 8261.6875)(622.59143, 386.586)" 620.5711@7.213 FindByFormula + 620.5711 7.213 621.1883@14.498751 "(622.1934, 5781.13)(623.1973, 1540.9349)(624.19476, 569.27)(644.17786, 2339.9575)(645.17834, 796.60754)" 621.1883@14.498751 FindByFormula + 621.1883 14.498751 621.3177@7.8735 "(620.31177, 823.46497)(621.3163, 428.74)" 621.3177@7.8735 FindByFormula - 621.3177 7.8735 622.0602@13.190001 "(623.0691, 848.32495)(624.07385, 304.1)" 622.0602@13.190001 FindByFormula + 622.0602 13.190001 622.3002@10.081666 "(623.30804, 2152.5698)(624.30817, 1131.17)(645.2904, 3383.05)(646.2896, 1455.73)" 622.3002@10.081666 FindByFormula + 622.3002 10.081666 622.4012@19.289665 "(623.4104, 2112.23)(624.41406, 1104.7334)(625.41455, 396.71335)" 622.4012@19.289665 FindByFormula + 622.4012 19.289665 623.1472@1.9463333 "(1249.2673, 313.16)(1269.2834, 887.325)(1270.2642, 465.23)(624.1479, 2751.5134)(625.1514, 1369.4501)(626.1489, 780.74)(662.1101, 717.8233)(646.1426, 5325.1)" 623.1472@1.9463333 FindByFormula + 623.1472 1.9463333 623.2941@7.504 "(622.2905, 1033.98)(623.28986, 396.1)" 623.2941@7.504 FindByFormula - 623.2941 7.504 623.7679@27.585499 "(624.7715, 1181.72)(625.77026, 328.035)(626.7669, 394.095)" 623.7679@27.585499 FindByFormula + 623.7679 27.585499 623.8073@3.540333 "(624.8149, 1888.5668)(625.814, 541.5833)" 623.8073@3.540333 FindByFormula + 623.8073 3.540333 624.3618@18.514 "(625.37006, 4652.7666)(626.37384, 1593.54)(627.37695, 967.916)" 624.3618@18.514 FindByFormula + 624.3618 18.514 625.7884@6.9875 "(1252.5845, 8183.83)(1253.5807, 5789.07)(1274.5593, 13571.73)(1275.5635, 8125.47)(626.80066, 4158.585)(648.7803, 11521.88)" 625.7884@6.9875 FindByFormula + 625.7884 6.9875 626.2731@18.519554 "(627.28064, 3878.0378)(628.28345, 1801.4989)(629.2829, 1217.8812)(630.2823, 275.11798)" 626.2731@18.519554 FindByFormula + 626.2731 18.519554 626.3131@10.507 "(627.3205, 4667.6797)(628.32275, 1809.095)(629.3341, 538.73)(649.29974, 1943.04)(650.3054, 879.685)(651.291, 911.47)" 626.3131@10.507 FindByFormula + 626.3131 10.507 626.3291@9.129 "(627.3358, 1280.845)(628.3373, 554.82)(629.346, 261.6)" 626.3291@9.129 FindByFormula + 626.3291 9.129 626.3318@8.4305 "(627.343, 4282.065)(628.3417, 1751.115)(629.343, 595.22)" 626.3318@8.4305 FindByFormula + 626.3318 8.4305 626.3318@9.3245 "(627.3441, 1410.05)(628.3425, 960.28)" 626.3318@9.3245 FindByFormula + 626.3318 9.3245 626.3635@13.044749 "(627.3721, 2649.6523)(628.37463, 1070.41)(629.3822, 314.08002)" 626.3635@13.044749 FindByFormula + 626.3635 13.044749 626.5249@26.9475 "(627.53357, 2538.875)(628.54114, 1215.435)(629.544, 513.05)" 626.5249@26.9475 FindByFormula + 626.5249 26.9475 627.4838@20.8455 "(628.49097, 1022.475)(629.495, 352.47998)" 627.4838@20.8455 FindByFormula + 627.4838 20.8455 628.178@12.4314995 "(629.18933, 1213.475)(630.1946, 386.305)(631.2035, 240.69)(651.1738, 394.89)" 628.178@12.4314995 FindByFormula + 628.178 12.4314995 628.2596@17.907501 "(629.26624, 2232.265)(630.2691, 910.66504)" 628.2596@17.907501 FindByFormula + 628.2596 17.907501 628.2839@8.84 "(629.2976, 2426.08)(630.2981, 1056.01)(631.2877, 787.99)(667.2466, 384.39)" 628.2839@8.84 FindByFormula + 628.2839 8.84 628.358@8.6355 "(629.362, 3431.8801)(630.3595, 1753.515)" 628.358@8.6355 FindByFormula + 628.358 8.6355 629.1595@1.9199998 "(1297.2756, 346.63)(1281.2964, 358.44)(630.16534, 2776.482)(631.16895, 1473.572)(632.1656, 842.354)(633.17114, 212.56)(652.1568, 1615.0925)(653.1593, 415.48502)" 629.1595@1.9199998 FindByFormula + 629.1595 1.9199998 629.3833@7.699 "(628.3745, 3140.4668)(629.3714, 1271.78)" 629.3833@7.699 FindByFormula - 629.3833 7.699 629.6869@9.2425 "(630.69006, 6773.735)(631.68896, 1527.9199)" 629.6869@9.2425 FindByFormula + 629.6869 9.2425 630.271@12.1535 "(316.14435, 2057.05)(316.6391, 529.73)(631.27844, 8983.285)(632.28394, 3048.79)" 630.271@12.1535 FindByFormula + 630.271 12.1535 630.2786@9.0865 "(316.1471, 4316.58)(316.6481, 1803.29)(632.2904, 5883.68)(632.2841, 574.4)(653.2656, 1040.45)" 630.2786@9.0865 FindByFormula + 630.2786 9.0865 631.2009@15.6985 "(1264.4196, 78.59)(632.2163, 1843.135)(633.2179, 602.22)(634.2243, 221.87)(654.1995, 1453.31)(655.2027, 529.52)" 631.2009@15.6985 FindByFormula + 631.2009 15.6985 631.2909@1.951 "(632.29333, 1256.065)(633.2976, 782.81995)" 631.2909@1.951 FindByFormula + 631.2909 1.951 632.1432@23.572926 "(633.1492, 2253.21)(634.15076, 1362.506)(635.14716, 1091.6014)(636.1465, 285.17572)" 632.1432@23.572926 FindByFormula + 632.1432 23.572926 632.2919@9.1076 "(1265.5873, 1590.51)(1266.5754, 1155.61)(1267.5883, 2202.9)(1287.5613, 2710.4448)(1288.5638, 3870.84)(1289.5686, 2355.88)(317.15393, 9923.572)(317.65552, 4085.034)(318.15613, 906.556)(318.66037, 180.09)(633.3005, 16175.677)(634.302, 6280.8057)(635.3072, 1663.0961)(655.2872, 3428.39)(656.2818, 1812.1932)(657.2882, 423.205)" 632.2919@9.1076 FindByFormula + 632.2919 9.1076 632.3906@7.5923333 "(631.3789, 4436.9097)(632.38226, 2059.1833)(633.3866, 819.71497)" 632.3906@7.5923333 FindByFormula - 632.3906 7.5923333 633.3017@13.961 "(634.306, 2415.9824)(635.31006, 748.3475)(636.3136, 419.22748)" 633.3017@13.961 FindByFormula + 633.3017 13.961 633.3874@7.9117503 "(632.3814, 4079.7625)(633.3834, 1662.185)(634.3773, 646.59)" 633.3874@7.9117503 FindByFormula - 633.3874 7.9117503 634.2438@15.3405 "(635.2522, 1191.23)(636.2516, 398.43)" 634.2438@15.3405 FindByFormula + 634.2438 15.3405 634.3073@7.3385 "(633.29846, 498.76)(634.29834, 255.185)" 634.3073@7.3385 FindByFormula - 634.3073 7.3385 634.3726@8.873 "(673.32684, 2957.2349)(674.3325, 1690.17)(675.3231, 760.24)(657.3469, 278.51)(658.3398, 186.73)" 634.3726@8.873 FindByFormula + 634.3726 8.873 635.0811@1.1462858 "(634.07654, 2515.4329)(635.0794, 582.6357)" 635.0811@1.1462858 FindByFormula - 635.0811 1.1462858 636.0613@10.097 "(637.0578, 953.85)(638.0636, 480.06)(639.0575, 101.59)(675.0225, 1118.8999)(676.01917, 214.775)(659.0528, 2881.48)(660.05286, 985.975)" 636.0613@10.097 FindByFormula + 636.0613 10.097 636.2862@11.8425 "(635.27875, 851.77)(636.2822, 291.74)" 636.2862@11.8425 FindByFormula - 636.2862 11.8425 636.3145@7.986666 "(635.3083, 4702.9165)(636.3103, 1704.2767)(637.31146, 346.62662)" 636.3145@7.986666 FindByFormula - 636.3145 7.986666 636.3444@9.892 "(637.3573, 3212.19)(638.3533, 1438.68)(639.3566, 559.775)(659.3403, 2142.1)(660.3398, 965.07)(661.3523, 169.72)" 636.3444@9.892 FindByFormula + 636.3444 9.892 637.3436@7.555428 "(636.334, 1354.6443)(637.3392, 522.7843)" 637.3436@7.555428 FindByFormula - 637.3436 7.555428 638.3065@9.097799 "(639.31415, 13566.573)(640.3155, 5100.878)(641.3278, 2644.0867)(661.2977, 4348.096)(662.3008, 1936.948)" 638.3065@9.097799 FindByFormula + 638.3065 9.097799 639.1209@1.923 "(1280.2081, 359.7)(1301.2354, 608.03)(640.12714, 3880.8835)(641.1308, 1584.342)(642.1342, 720.692)(662.1083, 465.07)(663.1134, 252.69)" 639.1209@1.923 FindByFormula + 639.1209 1.923 639.8332@7.198 "(640.84216, 1210.115)(641.8407, 565.95496)" 639.8332@7.198 FindByFormula + 639.8332 7.198 640.3455@1.1186666 "(641.35516, 3777.4033)(642.3582, 1937.41)(663.3373, 2785.26)(664.3489, 1258.49)" 640.3455@1.1186666 FindByFormula + 640.3455 1.1186666 640.3778@14.041091 "(641.38574, 1719.1844)(642.3884, 676.3209)" 640.3778@14.041091 FindByFormula + 640.3778 14.041091 640.4063@17.110857 "(641.41315, 112512.76)(642.41534, 21120.826)" 640.4063@17.110857 FindByFormula + 640.4063 17.110857 641.3033@9.4405 "(642.30695, 3476.775)(643.3108, 1461.7649)" 641.3033@9.4405 FindByFormula + 641.3033 9.4405 642.243@1.6723332 "(643.2473, 32219.24)(644.2513, 9279.293)(645.2603, 3437.5432)" 642.243@1.6723332 FindByFormula + 642.243 1.6723332 642.2878@6.7295 "(322.15027, 3302.8853)(322.6535, 1241.3)(323.14795, 343.57)(643.2909, 3097.395)(644.2982, 1027.3049)(645.29175, 1162.685)(665.2815, 3188.74)(666.2875, 1537.53)(667.2827, 850.1)" 642.2878@6.7295 FindByFormula + 642.2878 6.7295 642.3975@8.564 "(1285.793, 3161.46)(1286.7823, 1774.81)(1287.7765, 652.65)(322.2084, 2610.77)(322.7095, 599.68)(643.4017, 38807.637)(644.404, 14920.554)(645.4007, 3418.6765)(646.4042, 1421.09)(665.3837, 65791.93)(666.3855, 23754.64)(667.3785, 4812.84)" 642.3975@8.564 FindByFormula + 642.3975 8.564 644.0793@1.2913333 "(643.07184, 2233.46)(644.076, 559.9533)" 644.0793@1.2913333 FindByFormula - 644.0793 1.2913333 644.3311@10.13 "(645.33765, 958.105)(646.3422, 425.74002)" 644.3311@10.13 FindByFormula + 644.3311 10.13 645.293@26.7205 "(646.3036, 504.62)(647.30237, 201.035)" 645.293@26.7205 FindByFormula + 645.293 26.7205 645.8551@6.7313333 "(1330.6907, 1380.63)(1331.6945, 1486.23)(1314.7042, 14676.507)(1315.7056, 9988.014)(1316.7097, 4092.0566)(646.8639, 6064.15)(647.8529, 1938.85)" 645.8551@6.7313333 FindByFormula + 645.8551 6.7313333 646.2493@26.393333 "(647.2559, 2169.8)(648.2544, 526.88336)" 646.2493@26.393333 FindByFormula + 646.2493 26.393333 646.4726@25.2625 "(685.4355, 6666.5674)(686.4392, 3324.8274)" 646.4726@25.2625 FindByFormula + 646.4726 25.2625 647.2089@15.078667 "(648.2157, 1642.085)(649.2158, 579.98)(650.2152, 165.48502)(670.1966, 177.175)(671.19, 101.51)" 647.2089@15.078667 FindByFormula + 647.2089 15.078667 647.343@7.3459997 "(646.3367, 4776.695)(647.338, 1594.285)(648.3273, 34.88)" 647.343@7.3459997 FindByFormula - 647.343 7.3459997 647.3465@7.3403335 "(646.3444, 4803.8364)(647.3462, 1682.6901)(648.35114, 335.315)" 647.3465@7.3403335 FindByFormula - 647.3465 7.3403335 647.4769@24.409 "(648.484, 1932.185)(649.47955, 577.495)(650.48083, 66.085)(686.4398, 202.91)" 647.4769@24.409 FindByFormula + 647.4769 24.409 648.3609@23.208666 "(649.3709, 579.34)(650.38116, 398.87332)" 648.3609@23.208666 FindByFormula + 648.3609 23.208666 649.3427@7.017 "(650.34924, 19502.76)(651.348, 6796.315)(652.3479, 2770.77)" 649.3427@7.017 FindByFormula + 649.3427 7.017 650.2092@24.2252 "(651.21545, 3161.1663)(652.2182, 1466.7981)(653.2081, 297.13)" 650.2092@24.2252 FindByFormula + 650.2092 24.2252 650.3285@8.860001 "(651.3392, 376.62)(673.3214, 3069.1)(674.3195, 1508.185)" 650.3285@8.860001 FindByFormula + 650.3285 8.860001 650.3638@24.370667 "(651.36804, 1459.3381)(652.3661, 627.384)(653.3573, 341.13)(689.3275, 446.71)(690.3308, 202.15)(673.3581, 117.88)" 650.3638@24.370667 FindByFormula + 650.3638 24.370667 651.2046@16.575666 "(652.2116, 920.33)(653.2134, 347.81332)" 651.2046@16.575666 FindByFormula + 651.2046 16.575666 651.7236@1.9890001 "(1304.4637, 412.13)(652.73004, 10612.721)(653.7367, 1711.895)(654.73175, 873.885)" 651.7236@1.9890001 FindByFormula + 651.7236 1.9890001 652.2564@12.153 "(653.26025, 1280.595)(654.26373, 442.66998)" 652.2564@12.153 FindByFormula + 652.2564 12.153 652.3181@7.1605 "(653.3263, 20887.84)(654.3367, 4428.44)(655.3426, 386.26)" 652.3181@7.1605 FindByFormula + 652.3181 7.1605 653.9986@8.087999 "(655.00793, 897.815)(656.0126, 440.9)" 653.9986@8.087999 FindByFormula + 653.9986 8.087999 654.1232@20.5135 "(655.1223, 1191.85)(656.1193, 563.72)(657.1188, 502.62)(677.1137, 4067.47)(678.1165, 1346.245)(679.1188, 502.12)" 654.1232@20.5135 FindByFormula + 654.1232 20.5135 654.3077@21.05957 "(653.2979, 871.78284)(654.3027, 371.74713)" 654.3077@21.05957 FindByFormula - 654.3077 21.05957 654.3098@22.356874 "(653.2983, 4025.516)(654.3014, 1471.0825)(655.3034, 568.47)" 654.3098@22.356874 FindByFormula - 654.3098 22.356874 654.3149@8.863334 "(655.3244, 1731.605)(656.324, 951.04004)(677.3014, 2944.635)(678.3051, 1127.375)(679.3003, 154.035)" 654.3149@8.863334 FindByFormula + 654.3149 8.863334 655.3392@0.89699996 "(656.35114, 2359.58)(657.34326, 858.955)" 655.3392@0.89699996 FindByFormula + 655.3392 0.89699996 656.3688@8.461599 "(329.1949, 712.37)(329.6944, 69.82)(657.37555, 14461.2)(658.3732, 5213.6777)(659.3705, 2404.375)(660.3728, 555.96)(679.36255, 5494.41)(680.3616, 3471.6401)" 656.3688@8.461599 FindByFormula + 656.3688 8.461599 656.375@17.056751 "(657.3812, 13057.6875)(658.38104, 3833.9475)" 656.375@17.056751 FindByFormula + 656.375 17.056751 656.84@6.7180004 "(1314.6958, 13636.415)(1315.6984, 9663.7)(1316.697, 3932.3901)(1317.6779, 1201.1699)" 656.84@6.7180004 FindByFormula + 656.84 6.7180004 657.3747@6.756 "(656.3684, 8446.855)(657.3687, 2574.82)(658.36993, 918.14996)" 657.3747@6.756 FindByFormula - 657.3747 6.756 657.6842@7.5146 "(658.6903, 1863.35)(659.6953, 793.598)" 657.6842@7.5146 FindByFormula + 657.6842 7.5146 657.7357@1.9384999 "(658.7414, 31763.113)(659.74243, 4302.135)(660.7574, 497.66)" 657.7357@1.9384999 FindByFormula + 657.7357 1.9384999 658.2181@13.751 "(657.21106, 850.6)(658.21313, 355.97)" 658.2181@13.751 FindByFormula - 658.2181 13.751 658.3719@7.9172497 "(657.3638, 5388.1377)(658.3685, 1832.49)(659.3671, 389.6175)" 658.3719@7.9172497 FindByFormula - 658.3719 7.9172497 658.3756@1.8025 "(659.3826, 4863.19)(660.38293, 2042.16)" 658.3756@1.8025 FindByFormula + 658.3756 1.8025 658.3776@13.1262865 "(659.3788, 3720.7427)(660.38074, 1420.2285)(661.37476, 493.42502)(697.32764, 1735.3429)(698.3319, 659.89856)(699.32495, 346.76334)(681.3605, 6490.09)(682.36285, 2205.7258)(683.3621, 846.4257)" 658.3776@13.1262865 FindByFormula + 658.3776 13.1262865 658.3896@4.214 "(330.20233, 5998.654)(330.6955, 161.09)" 658.3896@4.214 FindByFormula + 658.3896 4.214 659.3844@7.7536664 "(658.3798, 1637.64)(659.3802, 673.11005)" 659.3844@7.7536664 FindByFormula - 659.3844 7.7536664 659.6329@22.889 "(682.62024, 712.48)(683.6195, 494.985)" 659.6329@22.889 FindByFormula + 659.6329 22.889 659.6332@23.523499 "(660.6354, 132.42)(661.6514, 67.55)(662.642, 33.01)(682.62427, 139.72)(683.6219, 125.79)" 659.6332@23.523499 FindByFormula + 659.6332 23.523499 659.6334@22.465 "(660.6376, 1796.6849)(661.6427, 1744.71)(662.6492, 865.53)(682.6179, 695.72)(683.6188, 567.74)" 659.6334@22.465 FindByFormula + 659.6334 22.465 661.7087@27.4935 "(331.8587, 288.805)(332.35995, 152.95)" 661.7087@27.4935 FindByFormula + 661.7087 27.4935 662.0345@1.9685 "(663.0415, 1348.99)(664.0462, 704.4)" 662.0345@1.9685 FindByFormula + 662.0345 1.9685 662.3984@13.417 "(663.40686, 1734.66)(664.4064, 751.15)(665.4026, 224.33)(685.38904, 1473.72)(686.3941, 924.03)(687.38617, 372.11002)" 662.3984@13.417 FindByFormula + 662.3984 13.417 662.4447@24.692501 "(663.4538, 613.52)(664.4549, 398.25)(665.46173, 91.65501)(685.4354, 1033.4501)(686.4401, 235.79)(687.4234, 511.08)" 662.4447@24.692501 FindByFormula + 662.4447 24.692501 662.4464@24.043499 "(663.455, 2894.435)(664.4574, 1251.71)(665.4622, 844.24)(685.4356, 4472.605)(686.4387, 2043.4199)" 662.4464@24.043499 FindByFormula + 662.4464 24.043499 662.7935@7.1966667 "(1365.5719, 1500.23)(1366.5874, 373.45)(663.801, 5541.9297)(664.8047, 2781.86)" 662.7935@7.1966667 FindByFormula + 662.7935 7.1966667 663.0244@6.9545 "(664.0302, 4410.835)(665.03613, 757.055)" 663.0244@6.9545 FindByFormula + 663.0244 6.9545 663.2952@10.242001 "(332.65607, 2224.245)(333.15936, 1199.885)(664.3013, 4829.13)(665.3065, 1795.42)(666.3016, 564.27)(686.2844, 2941.1948)(687.2854, 1038.085)(688.2835, 487.26)" 663.2952@10.242001 FindByFormula + 663.2952 10.242001 663.4503@23.4335 "(664.46155, 726.135)(665.4652, 392.91498)(686.437, 322.76)" 663.4503@23.4335 FindByFormula + 663.4503 23.4335 664.3297@9.613999 "(663.3152, 1719.2599)(664.31793, 704.61835)" 664.3297@9.613999 FindByFormula - 664.3297 9.613999 664.9778@6.8084 "(1352.9353, 1085.185)(1353.9304, 399.125)(1354.9327, 170.7)(665.98376, 1864.88)(666.9796, 464.83002)(667.9734, 230.57)(703.9357, 2733.7)(704.9377, 857.40674)(705.9349, 535.74335)(687.9635, 14094.602)(688.9657, 3040.564)(689.96594, 781.24207)(690.9694, 176.48)" 664.9778@6.8084 FindByFormula + 664.9778 6.8084 665.3932@7.2201996 "(664.3833, 10053.2705)(665.3856, 3733.6882)(666.3828, 888.484)" 665.3932@7.2201996 FindByFormula - 665.3932 7.2201996 668.3084@26.606499 "(667.30194, 1602.0525)(668.30524, 478.825)(669.3014, 54.235)" 668.3084@26.606499 FindByFormula - 668.3084 26.606499 668.389@17.9296 "(669.3972, 2704.92)(670.4005, 1103.336)(671.3934, 606.158)" 668.389@17.9296 FindByFormula + 668.389 17.9296 669.3071@7.0495 "(670.3133, 5878.5303)(671.3207, 2627.9849)" 669.3071@7.0495 FindByFormula + 669.3071 7.0495 670.2392@25.604668 "(671.24725, 1453.0333)(672.2507, 569.9733)(673.24646, 644.4666)" 670.2392@25.604668 FindByFormula + 670.2392 25.604668 670.3898@8.048 "(669.38574, 629.51)(670.38184, 279.245)" 670.3898@8.048 FindByFormula - 670.3898 8.048 671.2032@16.795668 "(672.21155, 1071.42)(673.2181, 536.4967)" 671.2032@16.795668 FindByFormula + 671.2032 16.795668 672.2698@21.042166 "(671.2636, 1172.1749)(672.2679, 420.39664)(673.2624, 477.83)" 672.2698@21.042166 FindByFormula - 672.2698 21.042166 672.3804@1.5174999 "(337.1981, 768.62)(337.6946, 183.64)(338.204, 91.28)(673.3864, 2156.23)(674.3889, 941.69)(675.3847, 216.21)(695.36993, 2805.845)(696.36914, 1260.985)(697.37024, 709.65497)" 672.3804@1.5174999 FindByFormula + 672.3804 1.5174999 673.8845@9.7085 "(674.88794, 4029.37)(675.9021, 2151.97)" 673.8845@9.7085 FindByFormula + 673.8845 9.7085 674.2681@23.980667 "(675.27997, 2882.5566)(676.2832, 1073.3099)" 674.2681@23.980667 FindByFormula + 674.2681 23.980667 674.2894@22.557335 "(675.2985, 1778.04)(676.2993, 870.4533)(677.2947, 548.1567)(678.3055, 185.69)" 674.2894@22.557335 FindByFormula + 674.2894 22.557335 674.385@11.922 "(673.3766, 8316.92)(674.37854, 3098.635)(675.3785, 759.745)" 674.385@11.922 FindByFormula - 674.385 11.922 674.4041@24.753252 "(673.39075, 2874.6675)(674.3941, 1186.64)(675.3951, 325.44998)" 674.4041@24.753252 FindByFormula - 674.4041 24.753252 675.294@7.353 "(676.3084, 3754.53)(677.3198, 1036.35)(698.2798, 2383.085)(699.28467, 1194.0349)" 675.294@7.353 FindByFormula + 675.294 7.353 675.7442@27.469332 "(676.75165, 2659.2)(677.7456, 865.7967)" 675.7442@27.469332 FindByFormula + 675.7442 27.469332 676.2117@7.6499996 "(677.2207, 745.34)(678.22363, 425.23)" 676.2117@7.6499996 FindByFormula + 676.2117 7.6499996 678.3477@8.736667 "(1357.698, 3118.25)(1358.7028, 2241.0735)(1359.6993, 923.73)(679.35455, 814.43335)(680.3603, 593.74)" 678.3477@8.736667 FindByFormula + 678.3477 8.736667 678.3513@8.64025 "(1355.6924, 936.59)(1356.6987, 687.065)(677.34534, 631.6825)(678.3508, 283.68)" 678.3513@8.64025 FindByFormula - 678.3513 8.64025 679.2344@10.9795 "(680.2427, 1909.6699)(681.2483, 682.605)" 679.2344@10.9795 FindByFormula + 679.2344 10.9795 679.2561@16.76775 "(678.25037, 974.01)(679.254, 327.70752)" 679.2561@16.76775 FindByFormula - 679.2561 16.76775 680.3053@9.59725 "(681.3119, 6063.4976)(682.3158, 1853.315)(683.3216, 797.41)(684.3228, 366.46)" 680.3053@9.59725 FindByFormula + 680.3053 9.59725 680.432@12.762333 "(681.4393, 2038.6434)(682.4382, 737.3499)" 680.432@12.762333 FindByFormula + 680.432 12.762333 681.3185@17.273333 "(682.32, 3430.5)(683.3213, 2016.1234)(684.3191, 998.38995)" 681.3185@17.273333 FindByFormula + 681.3185 17.273333 681.7468@1.9475 "(680.74426, 3377.45)(681.7471, 471.035)" 681.7468@1.9475 FindByFormula - 681.7468 1.9475 682.4368@7.5915 "(705.4265, 4666.875)(706.4184, 2156.28)" 682.4368@7.5915 FindByFormula + 682.4368 7.5915 682.4726@1.567 "(342.24475, 1287.5901)(342.74548, 637.015)(683.4798, 1907.92)(684.486, 935.07)(685.4901, 218.51)(721.4288, 77.46)(705.4559, 1543.58)(706.4628, 909.29)" 682.4726@1.567 FindByFormula + 682.4726 1.567 683.1536@11.5475 "(684.1616, 18600.043)(685.1639, 7791.28)(686.1608, 2082.355)(706.1422, 1315.3925)(707.14594, 777.03)" 683.1536@11.5475 FindByFormula + 683.1536 11.5475 683.1541@11.841332 "(684.1635, 6965.233)(685.1652, 3011.6833)(686.16376, 817.37665)(706.1426, 888.06)(707.148, 593.13)" 683.1541@11.841332 FindByFormula + 683.1541 11.841332 683.1943@24.5835 "(684.20166, 777.76)(685.20386, 474.495)" 683.1943@24.5835 FindByFormula + 683.1943 24.5835 683.3943@7.311 "(684.39685, 2841.0552)(685.3982, 1667.5549)" 683.3943@7.311 FindByFormula + 683.3943 7.311 684.3877@3.0853336 "(343.20108, 1571.7867)(343.7054, 798.6667)(344.1934, 357.675)(685.3891, 2021.01)(686.3863, 580.38)" 684.3877@3.0853336 FindByFormula + 684.3877 3.0853336 684.4051@13.9932 "(685.411, 1666.6058)(686.412, 669.42804)" 684.4051@13.9932 FindByFormula + 684.4051 13.9932 684.4281@25.161999 "(685.43475, 2843.405)(686.4404, 1451.5)(687.4477, 946.79504)" 684.4281@25.161999 FindByFormula + 684.4281 25.161999 684.4372@7.1859994 "(685.4447, 6469.52)(686.4479, 3515.15)(707.4363, 8485.305)(708.43994, 4705.555)" 684.4372@7.1859994 FindByFormula + 684.4372 7.1859994 684.857@7.374 "(685.86804, 3331.56)(686.86304, 1611.535)" 684.857@7.374 FindByFormula + 684.857 7.374 686.3716@7.8765 "(685.3661, 676.34)(686.36554, 327.98)(687.36743, 192.07501)" 686.3716@7.8765 FindByFormula - 686.3716 7.8765 686.601@8.635 "(687.60986, 4031.4001)(688.60815, 1249.06)" 686.601@8.635 FindByFormula + 686.601 8.635 687.06@8.452 "(688.062, 1158.525)(689.06226, 642.375)" 687.06@8.452 FindByFormula + 687.06 8.452 688.3474@7.4925003 "(689.35767, 1933.125)(690.36, 1221.1101)" 688.3474@7.4925003 FindByFormula + 688.3474 7.4925003 688.4367@13.051001 "(689.44366, 2854.619)(690.4467, 1313.9744)(691.4504, 388.92856)" 688.4367@13.051001 FindByFormula + 688.4367 13.051001 688.8986@8.205667 "(689.90576, 4487.31)(690.9124, 2196.89)" 688.8986@8.205667 FindByFormula + 688.8986 8.205667 689.489@24.958 "(690.5001, 2234.11)(691.49646, 582.315)(692.4935, 347.55)" 689.489@24.958 FindByFormula + 689.489 24.958 689.6812@1.961 "(690.6885, 1604.51)(691.6875, 185.935)(692.6804, 144.665)" 689.6812@1.961 FindByFormula + 689.6812 1.961 690.2297@22.8194 "(691.23816, 3043.134)(692.2402, 1449.21)" 690.2297@22.8194 FindByFormula + 690.2297 22.8194 690.2341@26.445333 "(691.2412, 2060.2466)(692.24384, 621.81)(693.24945, 199.49)" 690.2341@26.445333 FindByFormula + 690.2341 26.445333 690.4855@22.099167 "(691.4947, 2083.18)(692.4975, 880.0916)(693.4903, 489.97168)" 690.4855@22.099167 FindByFormula + 690.4855 22.099167 690.4877@22.094198 "(691.49524, 3349.464)(692.4979, 1361.6859)(693.494, 576.534)" 690.4877@22.094198 FindByFormula + 690.4877 22.094198 690.7179@7.0885 "(691.7226, 2455.92)(692.7303, 794.26495)" 690.7179@7.0885 FindByFormula + 690.7179 7.0885 691.2882@10.242001 "(692.3016, 2103.0251)(693.3002, 1071.4651)" 691.2882@10.242001 FindByFormula + 691.2882 10.242001 691.73@27.492 "(692.7372, 2268.33)(693.7368, 519.63)(694.738, 395.59)" 691.73@27.492 FindByFormula + 691.73 27.492 692.31@6.7843337 "(691.31134, 844.14996)(692.3101, 336.34665)" 692.31@6.7843337 FindByFormula - 692.31 6.7843337 692.311@6.7807503 "(691.31384, 914.1)(692.30945, 436.8225)" 692.311@6.7807503 FindByFormula - 692.311 6.7807503 692.4637@17.55375 "(693.4736, 5337.915)(694.4771, 2101.6875)(695.4726, 217.89)" 692.4637@17.55375 FindByFormula + 692.4637 17.55375 692.9015@7.116 "(1386.8044, 2569.28)(1387.7976, 1635.52)(1388.8103, 1107.145)(693.9122, 670.03)" 692.9015@7.116 FindByFormula + 692.9015 7.116 693.2732@14.791201 "(694.2743, 766.5675)(695.26996, 567.4267)(696.26135, 586.385)(732.23645, 1535.5039)(733.2411, 702.704)" 693.2732@14.791201 FindByFormula + 693.2732 14.791201 693.3363@7.3780003 "(692.3297, 606.69)(693.33093, 255.795)" 693.3363@7.3780003 FindByFormula - 693.3363 7.3780003 693.3394@8.5005 "(692.34, 1948.51)(693.3418, 810.32)" 693.3394@8.5005 FindByFormula - 693.3394 8.5005 693.3939@24.2296 "(694.3998, 2747.01)(695.40924, 1248.3479)(696.4057, 418.924)" 693.3939@24.2296 FindByFormula + 693.3939 24.2296 694.3622@1.4944999 "(695.3684, 5850.7)(696.3677, 1941.175)(697.3614, 452.94998)(733.32544, 2438.65)(734.3172, 441.055)(735.3173, 690.24)(717.3505, 8853.005)(718.3527, 3527.2673)(719.3583, 1067.545)" 694.3622@1.4944999 FindByFormula + 694.3622 1.4944999 695.184@14.57 "(696.19995, 1485.2051)(697.2014, 624.99)(698.196, 246.55)" 695.184@14.57 FindByFormula + 695.184 14.57 695.8544@7.4575 "(696.8602, 2542.6602)(697.86084, 1113.0576)(698.86426, 536.27)" 695.8544@7.4575 FindByFormula + 695.8544 7.4575 696.393@23.811 "(697.4036, 1658.345)(698.40356, 706.79)" 696.393@23.811 FindByFormula + 696.393 23.811 696.5164@19.560501 "(697.52185, 4856.86)(698.528, 1996.96)(699.52856, 561.865)" 696.5164@19.560501 FindByFormula + 696.5164 19.560501 697.3684@7.6673994 "(1395.7183, 385.27)(1419.7686, 642.81)(698.37494, 8116.8643)(699.37683, 2853.102)(700.3731, 679.084)(701.3778, 144.42)(736.329, 229.13)(720.36255, 2811.5032)(721.37964, 1727.615)(722.3728, 555.56)" 697.3684@7.6673994 FindByFormula + 697.3684 7.6673994 "6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione" "6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione [ C21 H31 F O3, db=3.61, tgt=, overall=3.61, KEGG ID=C15071, METLIN ID=70564 ]" "(373.2138, 4753.1797)(373.71362, 1427.785)(374.2131, 880.05505)(745.3999, 4287.21)(746.3994, 942.07)" "6beta-Fluoro-5alpha-hydroxypregnane-3,20-dione" FindByFormula + C15071 744.4047 6.862 "6-bromo-23-methyl-tetracosa-5E,9Z-dienoic acid" "6-bromo-23-methyl-tetracosa-5E,9Z-dienoic acid [ C25 H45 Br O2, db=51.50, tgt=, overall=51.50, Lipid ID=LMFA01090095, METLIN ID=96822 ]" "(455.25507, 1526.01)(456.2578, 444.17)" "6-bromo-23-methyl-tetracosa-5E,9Z-dienoic acid" FindByFormula - LMFA01090095 456.2622 8.6525 "6-bromo-eicosa-5E,9Z-dienoic acid" "6-bromo-eicosa-5E,9Z-dienoic acid [ C20 H35 Br O2, db=39.97, tgt=, overall=39.97, Lipid ID=LMFA01090098, METLIN ID=96825 ]" "(387.1907, 3141.21)(388.1984, 899.14996)(389.19495, 267.15)" "6-bromo-eicosa-5E,9Z-dienoic acid" FindByFormula + LMFA01090098 386.1833 9.2994995 "6-bromo-tetracosa-5E,9Z-dienoic acid" "6-bromo-tetracosa-5E,9Z-dienoic acid [ C24 H43 Br O2, db=51.59, tgt=, overall=51.59, Lipid ID=LMFA01090102, METLIN ID=96829 ]" "(465.23584, 1218.845)(466.23895, 405.27502)" "6-bromo-tetracosa-5E,9Z-dienoic acid" FindByFormula + LMFA01090102 464.2287 22.3805 "6-bromo-tetracosa-5E,9Z-dienoic acid + 22.020334" "6-bromo-tetracosa-5E,9Z-dienoic acid [ C24 H43 Br O2, db=46.06, tgt=, overall=46.06, Lipid ID=LMFA01090102, METLIN ID=96829 ]" "(465.23605, 2639.2534)(466.2407, 653.02)" "6-bromo-tetracosa-5E,9Z-dienoic acid + 22.020334" FindByFormula + LMFA01090102 464.2292 22.020334 "6-bromo-tricosa-5E,9Z-dienoic acid" "6-bromo-tricosa-5E,9Z-dienoic acid [ C23 H41 Br O2, db=50.82, tgt=, overall=50.82, Lipid ID=LMFA01090101, METLIN ID=96828 ]" "(429.2346, 3368.105)(430.23706, 868.23)" "6-bromo-tricosa-5E,9Z-dienoic acid" FindByFormula + LMFA01090101 428.2277 12.6185 "6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin" "6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin [ C24 H24 O5, db=94.76, tgt=, overall=94.76, Lipid ID=LMPK12100017, METLIN ID=48378 ]" "(393.16895, 5751.176)(394.1713, 1459.6439)(395.1721, 280.62454)" "6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-phenylcoumarin" FindByFormula + LMPK12100017 392.1623 13.602121 6-Butyryl-5-hydroxy-4-phenylseselin "6-Butyryl-5-hydroxy-4-phenylseselin [ C24 H22 O5, db=74.87, tgt=, overall=74.87, Lipid ID=LMPK12100022, METLIN ID=48383 ]" "(391.1527, 2053.7852)(392.15585, 613.385)" 6-Butyryl-5-hydroxy-4-phenylseselin FindByFormula + LMPK12100022 390.1459 14.898 6-Butyryl-5-hydroxy-4-phenylseselin + 14.839351 "6-Butyryl-5-hydroxy-4-phenylseselin [ C24 H22 O5, mfg=91.61, db=91.59, tgt=, overall=91.60, Lipid ID=LMPK12100022, METLIN ID=48383 ]" "(391.1532, 5368.027)(392.15533, 1500.8539)(393.1535, 190.60555)" 6-Butyryl-5-hydroxy-4-phenylseselin + 14.839351 FindByFormula + LMPK12100022 390.1459 14.839351 6-Chloropurine riboside "6-Chloropurine riboside [ C10 H11 Cl N4 O4, db=64.82, tgt=, overall=64.82, HMP ID=HMDB00914, METLIN ID=5869 ]" "(285.0383, 17625.05)(286.04175, 2783.94)(287.0454, 315.72)" 6-Chloropurine riboside FindByFormula HMDB00914 - 286.0461 10.1995 6-Chloropurine riboside - 10.1995 "6-Chloropurine riboside [ C10 H11 Cl N4 O4, db=62.56, tgt=, overall=62.56, HMP ID=HMDB00914, METLIN ID=5869 ]" "(285.0383, 17625.05)(286.04175, 2783.94)(287.0441, 674.04)" 6-Chloropurine riboside - 10.1995 FindByFormula HMDB00914 - 286.046 10.1995 "6-hydroxy-3,7-dimethyloctanoic acid" "6-hydroxy-3,7-dimethyloctanoic acid [ C10 H20 O3, db=85.42, tgt=, overall=85.42, Lipid ID=LMFA01050370, KEGG ID=C18067, METLIN ID=45833 ]" "(187.13332, 3320.2083)(188.13689, 380.5217)" "6-hydroxy-3,7-dimethyloctanoic acid" FindByFormula - C18067 LMFA01050370 188.1399 11.040751 "6-hydroxy-3,7-dimethyloctanoic acid - 11.689" "6-hydroxy-3,7-dimethyloctanoic acid [ C10 H20 O3, db=85.21, tgt=, overall=85.21, Lipid ID=LMFA01050370, KEGG ID=C18067, METLIN ID=45833 ]" "(187.13335, 3328.7559)(188.13683, 405.8514)" "6-hydroxy-3,7-dimethyloctanoic acid - 11.689" FindByFormula - C18067 LMFA01050370 188.1405 11.689 "6-hydroxy-3,7-dimethyloctanoic acid - 11.6917" "6-hydroxy-3,7-dimethyloctanoic acid [ C10 H20 O3, db=85.95, tgt=, overall=85.95, Lipid ID=LMFA01050370, KEGG ID=C18067, METLIN ID=45833 ]" "(187.13353, 3280.1262)(188.13687, 404.69598)" "6-hydroxy-3,7-dimethyloctanoic acid - 11.6917" FindByFormula - C18067 LMFA01050370 188.1411 11.6917 6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside] "6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside] [ C27 H28 O16, db=53.78, tgt=, overall=53.78, Lipid ID=LMPK12111209, METLIN ID=49634 ]" "(609.14294, 702.05005)(610.15, 359.265)" 6-Hydroxyluteolin 7-[4''-(3-hydroxy-3-methylglutaryl)glucoside] FindByFormula + LMPK12111209 608.1385 15.4615 6'-Hydroxysiphonaxanthin "6'-Hydroxysiphonaxanthin [ C40 H56 O5, db=63.03, tgt=, overall=63.03, Lipid ID=LMPR01070204, METLIN ID=41455 ]" "(639.40344, 1739.8)(640.40857, 774.015)" 6'-Hydroxysiphonaxanthin FindByFormula + LMPR01070204 638.3964 28.6065 6-Keto-PGF1apla "6-Keto-PGF1apla [ C20 H34 O6, db=98.26, tgt=, overall=98.26, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(785.4461, 160.92)(807.42816, 249.38501)(808.41925, 106.994995)(393.22433, 71545.78)(394.22818, 16499.48)(395.23462, 2610.176)(431.18317, 351.22)(415.20715, 3259.2207)(416.2083, 865.59155)(417.19754, 195.68)" 6-Keto-PGF1apla FindByFormula HMDB02886 + C05961 LMFA03010001 392.2176 9.408084 6-Keto-PGF1apla - 10.50075 "6-Keto-PGF1apla [ C20 H34 O6, db=94.08, tgt=, overall=94.08, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(369.22742, 2546.1326)(370.2313, 623.23755)(371.2391, 127.2475)" 6-Keto-PGF1apla - 10.50075 FindByFormula HMDB02886 - C05961 LMFA03010001 370.2348 10.50075 6-Keto-PGF1apla - 10.501801 "6-Keto-PGF1apla [ C20 H34 O6, db=91.80, tgt=, overall=91.80, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(369.22693, 2556.216)(370.2301, 623.94604)(371.2418, 41.53)" 6-Keto-PGF1apla - 10.501801 FindByFormula HMDB02886 - C05961 LMFA03010001 370.2376 10.501801 6-Keto-PGF1apla - 9.392091 "6-Keto-PGF1apla [ C20 H34 O6, db=95.00, tgt=, overall=95.00, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(369.22723, 15484.653)(370.23044, 3518.6892)(371.236, 868.945)" 6-Keto-PGF1apla - 9.392091 FindByFormula HMDB02886 - C05961 LMFA03010001 370.2367 9.392091 6-Keto-PGF1apla + 10.4685 "6-Keto-PGF1apla [ C20 H34 O6, db=96.69, tgt=, overall=96.69, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(807.412, 167.44)(393.22418, 5712.125)(394.22775, 1210.05)(395.23602, 235.94499)(415.2058, 353.51)" 6-Keto-PGF1apla + 10.4685 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2177 10.4685 6-Keto-PGF1apla + 9.37925 "6-Keto-PGF1apla [ C20 H34 O6, db=98.62, tgt=, overall=98.62, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(393.225, 75604.766)(394.22818, 17280.2)(395.23465, 2819.01)(415.2085, 2543.3748)(416.2107, 758.785)" 6-Keto-PGF1apla + 9.37925 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2177 9.37925 6-Keto-PGF1apla + 9.403916 "6-Keto-PGF1apla [ C20 H34 O6, db=98.89, tgt=, overall=98.89, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(393.22464, 90422.4)(394.22836, 20440.99)(395.2345, 3196.866)(415.20847, 3911.8264)(416.2067, 440.58502)" 6-Keto-PGF1apla + 9.403916 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2191 9.403916 6-Keto-PGF1apla + 9.408538 "6-Keto-PGF1apla [ C20 H34 O6, db=98.62, tgt=, overall=98.62, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(785.426, 241.31)(807.4216, 279.885)(393.22424, 90853.54)(394.2278, 20680.97)(395.23383, 3196.7783)(431.18198, 339.03)(415.20724, 3460.8892)(416.20883, 972.612)(417.19876, 415.21667)" 6-Keto-PGF1apla + 9.408538 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2172 9.408538 6-Keto-PGF1apla + 9.9355545 "6-Keto-PGF1apla [ C20 H34 O6, db=90.10, tgt=, overall=90.10, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(807.4279, 56.07)(393.2241, 14687.364)(394.22784, 3367.9307)(395.2355, 1045.8615)(396.23187, 392.33502)(415.2094, 1092.2615)(416.20654, 366.04202)" 6-Keto-PGF1apla + 9.9355545 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2165 9.9355545 6-Keto-PGF1apla + 9.941286 "6-Keto-PGF1apla [ C20 H34 O6, db=91.12, tgt=, overall=91.12, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(393.22403, 16491.867)(394.22778, 3795.1465)(395.23492, 1204.0477)(415.2082, 952.986)(416.2095, 306.74875)" 6-Keto-PGF1apla + 9.941286 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2163 9.941286 6-Keto-PGF1apla + 9.9654 "6-Keto-PGF1apla [ C20 H34 O6, db=82.46, tgt=, overall=82.46, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(393.22415, 16369.479)(394.22815, 3802.8984)(395.23676, 1351.8401)(396.2366, 871.69)(415.20865, 875.8875)(416.2129, 869.96)" 6-Keto-PGF1apla + 9.9654 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2169 9.9654 6-Keto-PGF1apla + 9.9684 "6-Keto-PGF1apla [ C20 H34 O6, db=90.08, tgt=, overall=90.08, CAS ID=58962-34-8, Lipid ID=LMFA03010001, KEGG ID=C05961, HMP ID=HMDB02886, METLIN ID=2558 ]" 58962-34-8 "(393.22443, 14904.367)(394.22833, 3443.556)(395.23526, 1166.7646)(415.20834, 1057.7)(416.2303, 362.14)" 6-Keto-PGF1apla + 9.9684 FindByFormula HMDB02886 + C05961 LMFA03010001 392.2182 9.9684 6-Mercaptopurine "6-Mercaptopurine [ C5 H4 N4 S, db=88.43, tgt=, overall=88.43, CAS ID=50-44-2, KEGG ID=C02380, METLIN ID=503 ]" 50-44-2 "(175.00491, 23775.895)(176.00693, 1611.775)(177.00406, 2140.965)" 6-Mercaptopurine FindByFormula + C02380 173.9978 1.078 6-MethQuinolin-8-ol "6-MethQuinolin-8-ol [ C10 H9 N O, db=85.21, tgt=, overall=85.21, CAS ID=5263-87-6, METLIN ID=34519 ]" 5263-87-6 "(160.0759, 14355.567)(161.07803, 1758.765)" 6-MethQuinolin-8-ol FindByFormula + 159.0684 1.6358888 6-MethQuinolin-8-ol + 1.6526667 "6-MethQuinolin-8-ol [ C10 H9 N O, db=87.66, tgt=, overall=87.66, CAS ID=5263-87-6, METLIN ID=34519 ]" 5263-87-6 "(160.07567, 14436.54)(161.07875, 1722.9467)" 6-MethQuinolin-8-ol + 1.6526667 FindByFormula + 159.0678 1.6526667 "7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate)" "7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate) [ C26 H38 O9, db=67.42, tgt=, overall=67.42, CAS ID=137088-15-4, HMP ID=HMDB33655, METLIN ID=89454 ]" 137088-15-4 "(495.25854, 5519.3247)(496.25366, 1799.1334)(497.25824, 499.9875)(533.1969, 265.75)(517.2302, 684.35)" "7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate)" FindByFormula HMDB33655 + 494.2478 7.0785003 "7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate) - 7.2835" "7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate) [ C26 H38 O9, db=74.02, tgt=, overall=74.02, CAS ID=137088-15-4, HMP ID=HMDB33655, METLIN ID=89454 ]" 137088-15-4 "(493.24316, 1342.1)(494.24588, 416.315)" "7,11-Bisdeacetylvaltrate 7-(3-methylpentanoate) 11-(3-hydroxy-3-methylbutanoate) - 7.2835" FindByFormula HMDB33655 - 494.2499 7.2835 "7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone" "7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone [ C25 H26 O8, db=68.84, tgt=, overall=68.84, Lipid ID=LMPK12111409, METLIN ID=49833 ]" "(455.17148, 2132.245)(456.1689, 467.2475)" "7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone" FindByFormula + LMPK12111409 454.1627 20.78125 "7,8-Didehydroastaxanthin" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=78.49, tgt=, overall=78.49, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.3807, 1286517.0)(596.3848, 424715.72)(597.38745, 93699.65)(598.3899, 16152.347)(599.391, 2304.473)" "7,8-Didehydroastaxanthin" FindByFormula + LMPR01070051 594.3736 17.217531 "7,8-Didehydroastaxanthin + 15.276525" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=78.93, tgt=, overall=78.93, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.3807, 4547.9043)(596.3839, 1493.2557)(597.3846, 446.31738)" "7,8-Didehydroastaxanthin + 15.276525" FindByFormula + LMPR01070051 594.3738 15.276525 "7,8-Didehydroastaxanthin + 15.284411" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=78.19, tgt=, overall=78.19, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.38074, 4542.977)(596.38367, 1472.6906)(597.38434, 434.3147)" "7,8-Didehydroastaxanthin + 15.284411" FindByFormula + LMPR01070051 594.3733 15.284411 "7,8-Didehydroastaxanthin + 17.217756" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=78.59, tgt=, overall=78.59, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.3806, 1313069.4)(596.3849, 433791.78)(597.3875, 95527.04)(598.38983, 16447.865)(599.3904, 3555.22)" "7,8-Didehydroastaxanthin + 17.217756" FindByFormula + LMPR01070051 594.3735 17.217756 "7,8-Didehydroastaxanthin + 17.6055" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=80.02, tgt=, overall=80.02, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.38025, 142011.16)(596.3834, 51827.637)(597.3851, 23167.65)(598.3891, 3355.36)" "7,8-Didehydroastaxanthin + 17.6055" FindByFormula + LMPR01070051 594.3722 17.6055 "7,8-Didehydroastaxanthin + 28.400501" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=87.20, tgt=, overall=87.20, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.3794, 1741.39)(596.3806, 896.57996)(597.3863, 128.34)" "7,8-Didehydroastaxanthin + 28.400501" FindByFormula + LMPR01070051 594.3708 28.400501 "7,8-Didehydroastaxanthin + 29.398998" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=90.78, tgt=, overall=90.78, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.3796, 2757.588)(596.3832, 1326.2361)(597.3823, 263.75333)" "7,8-Didehydroastaxanthin + 29.398998" FindByFormula + LMPR01070051 594.3728 29.398998 "7,8-Didehydroastaxanthin + 29.782427" "7,8-Didehydroastaxanthin [ C40 H50 O4, db=80.01, tgt=, overall=80.01, Lipid ID=LMPR01070051, METLIN ID=41315 ]" "(595.3803, 3116.8926)(596.3838, 1115.3671)(597.37933, 373.4057)" "7,8-Didehydroastaxanthin + 29.782427" FindByFormula + LMPR01070051 594.3749 29.782427 "7',8'-Dihydro-8'-hydroxyreticulataxanthin" "7',8'-Dihydro-8'-hydroxyreticulataxanthin [ C33 H46 O3, db=69.97, tgt=, overall=69.97, CAS ID=, HMP ID=HMDB39090, METLIN ID=93695 ]" "(513.3352, 889.65)(514.33386, 302.495)" "7',8'-Dihydro-8'-hydroxyreticulataxanthin" FindByFormula HMDB39090 + 512.3302 6.821 "7,8-Dihydrovomifoliol 9-[rhamnosyl-(1-6)-glucoside]" "7,8-Dihydrovomifoliol 9-[rhamnosyl-(1-6)-glucoside] [ C25 H42 O12, db=52.71, tgt=, overall=52.71, CAS ID=177261-69-7, HMP ID=HMDB29770, METLIN ID=86477 ]" 177261-69-7 "(535.276, 231.405)(536.27527, 122.76)" "7,8-Dihydrovomifoliol 9-[rhamnosyl-(1-6)-glucoside]" FindByFormula HMDB29770 + 534.2646 23.0805 700.3821@7.8091435 "(699.3746, 3244.4226)(700.3735, 1221.7587)(701.3756, 402.91284)" 700.3821@7.8091435 FindByFormula - 700.3821 7.8091435 700.4493@7.5135717 "(699.4453, 1950.2299)(700.44763, 801.2671)(701.44183, 227.56857)" 700.4493@7.5135717 FindByFormula - 700.4493 7.5135717 700.4506@7.454 "(701.45123, 2970.2566)(702.45215, 1413.1635)(703.44775, 680.97)(723.4349, 2943.75)(724.4452, 1118.41)" 700.4506@7.454 FindByFormula + 700.4506 7.454 700.7138@7.30525 "(701.7228, 4682.225)(702.7241, 653.77)" 700.7138@7.30525 FindByFormula + 700.7138 7.30525 701.3668@7.7059994 "(700.36035, 3553.894)(701.3651, 1167.9644)(702.3604, 162.82999)" 701.3668@7.7059994 FindByFormula - 701.3668 7.7059994 701.8558@22.309498 "(702.8624, 1239.5901)(703.86084, 215.8525)" 701.8558@22.309498 FindByFormula + 701.8558 22.309498 702.8581@26.623999 "(703.86597, 420.37332)(704.8647, 284.98)" 702.8581@26.623999 FindByFormula + 702.8581 26.623999 704.2691@21.04 "(705.27795, 1385.005)(706.28, 854.62)" 704.2691@21.04 FindByFormula + 704.2691 21.04 704.282@7.0160003 "(705.2922, 4109.84)(706.2884, 1777.83)(727.26807, 3526.0833)(728.27075, 1565.46)" 704.282@7.0160003 FindByFormula + 704.282 7.0160003 704.3587@7.8640003 "(703.34595, 807.88)(704.3489, 340.52)" 704.3587@7.8640003 FindByFormula - 704.3587 7.8640003 704.8505@2.409 "(705.85645, 1797.76)(706.86066, 749.47)" 704.8505@2.409 FindByFormula + 704.8505 2.409 705.0931@7.358667 "(706.0967, 9906.48)(707.1023, 834.6267)(708.1015, 319.385)" 705.0931@7.358667 FindByFormula + 705.0931 7.358667 705.2269@7.3785 "(706.2376, 17585.885)(707.24225, 746.615)" 705.2269@7.3785 FindByFormula + 705.2269 7.3785 705.2305@7.356833 "(706.23804, 13122.195)(707.23895, 555.73663)" 705.2305@7.356833 FindByFormula + 705.2305 7.356833 706.1228@20.115501 "(707.1277, 1822.275)(708.1361, 804.73)" 706.1228@20.115501 FindByFormula + 706.1228 20.115501 706.1236@15.817668 "(707.13544, 1198.5566)(708.14435, 450.72998)(709.149, 270.99332)" 706.1236@15.817668 FindByFormula + 706.1236 15.817668 706.587@26.9515 "(707.5941, 2053.23)(708.59534, 444.07)" 706.587@26.9515 FindByFormula + 706.587 26.9515 707.5017@26.078 "(708.50946, 941.64197)(709.5156, 533.82404)" 707.5017@26.078 FindByFormula + 707.5017 26.078 707.5036@26.222334 "(708.51025, 1274.44)(709.51654, 655.7033)" 707.5036@26.222334 FindByFormula + 707.5036 26.222334 708.1431@17.571 "(709.15234, 2437.835)(710.16003, 605.75)(711.15906, 418.135)" 708.1431@17.571 FindByFormula + 708.1431 17.571 708.165@16.8015 "(709.1725, 1136.265)(710.1758, 899.16504)(711.1688, 683.23)" 708.165@16.8015 FindByFormula + 708.165 16.8015 708.3799@2.659 "(709.3858, 8189.835)(710.38824, 3405.165)" 708.3799@2.659 FindByFormula + 708.3799 2.659 708.4062@6.6985 "(1439.7949, 2966.8801)(1440.7982, 2450.44)(1441.803, 1006.3425)(709.4131, 683.24)(747.3727, 311.72)" 708.4062@6.6985 FindByFormula + 708.4062 6.6985 708.4584@14.9804 "(709.4686, 1061.54)(710.47125, 560.704)" 708.4584@14.9804 FindByFormula + 708.4584 14.9804 708.7973@7.203 "(709.8026, 44959.707)(710.7985, 7411.176)(711.8109, 1557.0625)" 708.7973@7.203 FindByFormula + 708.7973 7.203 709.2205@7.211 "(710.227, 36715.89)(711.2269, 1333.5779)(712.23975, 670.67)" 709.2205@7.211 FindByFormula + 709.2205 7.211 709.3623@7.1965714 "(710.36914, 31230.861)(711.3628, 2004.1787)(712.3623, 1156.5067)" 709.3623@7.1965714 FindByFormula + 709.3623 7.1965714 709.5115@25.242668 "(710.5169, 3111.8835)(711.51416, 1190.7767)(712.52185, 851.795)" 709.5115@25.242668 FindByFormula + 709.5115 25.242668 710.256@26.062248 "(711.2629, 862.7)(712.26154, 271.11252)" 710.256@26.062248 FindByFormula + 710.256 26.062248 710.392@3.25475 "(711.4006, 1271.6499)(712.40155, 506.6225)(733.3817, 475.445)(734.37744, 233.8425)" 710.392@3.25475 FindByFormula + 710.392 3.25475 711.4048@8.596001 "(712.41595, 880.99)(713.42395, 590.105)" 711.4048@8.596001 FindByFormula + 711.4048 8.596001 712.4035@7.9186254 "(711.40405, 1033.0137)(712.405, 453.11)" 712.4035@7.9186254 FindByFormula - 712.4035 7.9186254 712.4146@6.8085003 "(357.21625, 1264.34)(357.7106, 538.78503)(358.2208, 394.32)(713.40857, 1521.935)(714.40857, 786.935)(715.4016, 557.69)(735.39874, 2500.97)(736.3938, 463.365)(737.4172, 127.07)" 712.4146@6.8085003 FindByFormula + 712.4146 6.8085003 713.1771@16.895666 "(714.18463, 522.34)(715.1914, 259.34332)" 713.1771@16.895666 FindByFormula + 713.1771 16.895666 714.374@8.498 "(713.36597, 2367.5151)(714.3678, 920.945)(715.36975, 236.06)" 714.374@8.498 FindByFormula - 714.374 8.498 714.4172@13.024599 "(715.4219, 1003.57794)(716.4289, 412.91)" 714.4172@13.024599 FindByFormula + 714.4172 13.024599 715.4284@8.073 "(358.7188, 2208.53)(359.2182, 733.545)(359.7272, 360.94)(716.4192, 12209.61)(717.4236, 7511.17)" 715.4284@8.073 FindByFormula + 715.4284 8.073 716.4465@19.293333 "(717.4539, 1452.8833)(718.458, 840.78)(719.45605, 420.09668)" 716.4465@19.293333 FindByFormula + 716.4465 19.293333 717.0367@7.391 "(718.0457, 1903.505)(719.03894, 682.095)" 717.0367@7.391 FindByFormula + 717.0367 7.391 717.3915@8.14 "(716.3864, 1151.69)(717.38574, 427.92667)" 717.3915@8.14 FindByFormula - 717.3915 8.14 717.5177@25.155998 "(718.5259, 1410.78)(719.52185, 758.9)(720.5325, 332.915)" 717.5177@25.155998 FindByFormula + 717.5177 25.155998 718.183@11.4045 "(1475.3318, 575.14)(719.1904, 2142.605)(720.1913, 772.1)(721.19104, 326.035)" 718.183@11.4045 FindByFormula + 718.183 11.4045 719.3564@8.623 "(718.3481, 1296.3134)(719.3505, 550.6767)" 719.3564@8.623 FindByFormula - 719.3564 8.623 719.4074@22.828 "(720.41895, 1166.755)(721.406, 871.27997)" 719.4074@22.828 FindByFormula + 719.4074 22.828 723.2255@16.815626 "(724.2322, 3551.5676)(725.2304, 1337.2738)(726.2215, 641.1687)" 723.2255@16.815626 FindByFormula + 723.2255 16.815626 724.1445@16.7635 "(725.1483, 4202.885)(726.1503, 1580.95)(727.164, 1099.615)" 724.1445@16.7635 FindByFormula + 724.1445 16.7635 724.5472@14.691 "(725.5548, 6262.625)(726.558, 2800.7651)(727.56067, 115.33)" 724.5472@14.691 FindByFormula + 724.5472 14.691 726.262@6.949333 "(727.2658, 6760.36)(728.2735, 2834.2966)" 726.262@6.949333 FindByFormula + 726.262 6.949333 728.4429@6.998 "(727.43823, 2710.0498)(728.43713, 1301.495)(729.4214, 182.36)" 728.4429@6.998 FindByFormula - 728.4429 6.998 729.3631@1.826 "(730.36694, 2451.3)(731.37036, 851.595)(732.36914, 801.92993)(752.3502, 1152.34)(753.3565, 631.97)" 729.3631@1.826 FindByFormula + 729.3631 1.826 730.599@26.953 "(731.6023, 8332.388)(732.5974, 3936.884)(733.6088, 1580.4299)(753.5848, 4243.2197)(754.5829, 2334.4302)(755.58954, 693.476)" 730.599@26.953 FindByFormula + 730.599 26.953 731.3822@7.9285 "(732.3907, 1736.49)(733.3884, 686.62)" 731.3822@7.9285 FindByFormula + 731.3822 7.9285 731.5486@20.456501 "(732.5552, 7497.29)(733.56104, 2749.8198)(734.56573, 4460.965)(735.5674, 1911.6599)(736.569, 846.73)" 731.5486@20.456501 FindByFormula + 731.5486 20.456501 732.2461@15.45225 "(733.2511, 1823.3)(734.2546, 977.0875)(735.2456, 989.6)" 732.2461@15.45225 FindByFormula + 732.2461 15.45225 732.3792@7.1809998 "(367.19672, 6269.835)(367.71143, 376.755)(368.19925, 832.15)" 732.3792@7.1809998 FindByFormula + 732.3792 7.1809998 732.8486@7.2813334 "(1466.6912, 10739.625)(1467.6917, 7603.335)(1468.6991, 3466.875)(733.85803, 2120.765)(734.8751, 598.51)" 732.8486@7.2813334 FindByFormula + 732.8486 7.2813334 733.7435@6.7574997 "(734.75055, 2019.7999)(735.74445, 1101.565)" 733.7435@6.7574997 FindByFormula + 733.7435 6.7574997 733.7465@27.4345 "(734.7517, 1919.77)(735.75415, 427.46002)(736.7523, 228.87)" 733.7465@27.4345 FindByFormula + 733.7465 27.4345 733.7473@27.002499 "(734.7538, 2502.565)(735.7525, 552.33496)(736.7396, 409.04498)" 733.7473@27.002499 FindByFormula + 733.7473 27.002499 734.4269@24.223251 "(735.43115, 1443.9476)(736.4328, 600.9925)" 734.4269@24.223251 FindByFormula + 734.4269 24.223251 734.7348@8.266 "(735.7389, 6934.8047)(736.744, 859.88)" 734.7348@8.266 FindByFormula + 734.7348 8.266 735.1123@8.656199 "(736.1069, 1340.465)(737.1045, 679.78)(738.1113, 519.3433)(774.0706, 4209.628)(775.07166, 1767.65)(776.06836, 1082.464)" 735.1123@8.656199 FindByFormula + 735.1123 8.656199 735.3501@9.32 "(736.3591, 3440.83)(737.3632, 2112.095)(758.3407, 4633.28)(759.341, 2861.77)(760.3211, 404.8)" 735.3501@9.32 FindByFormula + 735.3501 9.32 735.3761@6.883 "(736.38684, 1315.16)(737.3788, 947.35)" 735.3761@6.883 FindByFormula + 735.3761 6.883 739.2244@25.60457 "(740.2338, 3348.1057)(741.2365, 1469.8771)(742.23303, 1986.9371)(743.2316, 686.4634)(744.2331, 407.98)" 739.2244@25.60457 FindByFormula + 739.2244 25.60457 739.5521@24.917 "(740.56396, 6550.1196)(741.5632, 3165.3867)(742.56445, 714.32776)(743.5637, 104.04)" 739.5521@24.917 FindByFormula + 739.5521 24.917 739.5576@24.9 "(740.5647, 6562.1377)(741.56445, 3094.8447)(742.5664, 783.8189)(743.5599, 282.415)" 739.5576@24.9 FindByFormula + 739.5576 24.9 740.3389@22.0545 "(741.349, 1506.34)(742.35114, 725.86)" 740.3389@22.0545 FindByFormula + 740.3389 22.0545 740.4317@17.032 "(741.4399, 676.61334)(742.43994, 325.24667)" 740.4317@17.032 FindByFormula + 740.4317 17.032 740.525@22.00975 "(741.5413, 3151.795)(742.5531, 2163.4526)(743.55286, 1020.90497)" 740.525@22.00975 FindByFormula + 740.525 22.00975 740.527@20.815 "(741.5386, 3163.7034)(742.5525, 1895.2734)(743.55786, 937.5867)" 740.527@20.815 FindByFormula + 740.527 20.815 741.2041@11.004 "(742.2124, 2448.295)(743.2145, 882.57996)(744.2101, 426.53)" 741.2041@11.004 FindByFormula + 741.2041 11.004 741.3837@8.198 "(742.38727, 1419.9299)(743.3988, 904.72)" 741.3837@8.198 FindByFormula + 741.3837 8.198 741.4516@7.9105 "(740.4458, 1355.63)(741.44275, 552.91003)" 741.4516@7.9105 FindByFormula - 741.4516 7.9105 741.4753@17.7665 "(742.4809, 7617.405)(743.47644, 1918.46)" 741.4753@17.7665 FindByFormula + 741.4753 17.7665 743.4241@8.672999 "(742.4179, 1622.508)(743.4207, 700.02405)" 743.4241@8.672999 FindByFormula - 743.4241 8.672999 743.5769@26.856165 "(744.583, 3336.2734)(745.5874, 1823.2533)(746.5911, 2394.3333)(747.591, 1087.0299)(748.59, 625.86005)(766.5681, 1750.2399)(767.5744, 900.2316)(768.57446, 1526.3341)" 743.5769@26.856165 FindByFormula + 743.5769 26.856165 744.4072@8.3104 "(745.41754, 51272.96)(746.4193, 18577.34)(747.4181, 4891.582)(748.4138, 747.74)" 744.4072@8.3104 FindByFormula + 744.4072 8.3104 745.2424@6.9560003 "(746.2491, 2416.255)(747.2516, 961.135)(748.2471, 574.04004)(768.2353, 1252.59)" 745.2424@6.9560003 FindByFormula + 745.2424 6.9560003 745.3979@7.448 "(746.3977, 2366.15)(747.39124, 1334.075)(748.3881, 628.91)(784.35693, 1330.31)(785.3696, 715.15)(768.38544, 7071.49)(769.38696, 3167.21)(770.39307, 717.67)" 745.3979@7.448 FindByFormula + 745.3979 7.448 746.1998@24.159 "(747.2086, 981.49)(748.20557, 516.475)(749.2101, 477.175)" 746.1998@24.159 FindByFormula + 746.1998 24.159 746.2105@16.397999 "(747.2195, 783.685)(748.2206, 406.87)(749.2121, 344.8)(769.2032, 166.41)" 746.2105@16.397999 FindByFormula + 746.2105 16.397999 747.1788@15.1645 "(748.1865, 351.925)(749.18896, 270.8)" 747.1788@15.1645 FindByFormula + 747.1788 15.1645 748.5103@25.870667 "(749.51855, 3005.0898)(750.5249, 1332.7267)(751.51855, 746.3667)" 748.5103@25.870667 FindByFormula + 748.5103 25.870667 749.3887@8.526 "(750.3949, 1853.89)(751.3937, 818.36)" 749.3887@8.526 FindByFormula + 749.3887 8.526 750.1114@20.5234 "(751.11475, 1202.592)(752.12146, 478.41)" 750.1114@20.5234 FindByFormula + 750.1114 20.5234 750.4225@4.32775 "(751.43164, 4177.065)(752.4321, 1774.01)(753.4342, 713.91003)(773.4177, 2364.6726)(774.4146, 1085.335)" 750.4225@4.32775 FindByFormula + 750.4225 4.32775 750.4262@6.537 "(751.4295, 5989.2095)(752.4267, 2970.0066)(753.4228, 1430.6466)(773.415, 7201.9)(774.4146, 3441.8167)(775.401, 844.685)" 750.4262@6.537 FindByFormula + 750.4262 6.537 750.4653@8.706666 "(1501.9076, 523.15)(1502.9268, 594.805)(376.2433, 3535.065)(376.74414, 1679.37)(377.2465, 411.235)(751.47455, 48041.24)(752.4787, 21076.95)(753.4759, 6008.47)(754.4649, 2405.83)(395.2206, 3041.2598)(395.72107, 1208.5233)(396.21475, 712.145)(773.4534, 73596.836)(774.45624, 32310.969)(775.4588, 9331.397)(776.4536, 2912.47)" 750.4653@8.706666 FindByFormula + 750.4653 8.706666 751.0792@8.680769 "(1503.1407, 1015.49)(376.54224, 529.4875)(377.0437, 204.07875)(377.54434, 114.2575)(752.0843, 5547.5737)(753.0867, 2226.2493)(754.0843, 1236.4438)(790.0565, 549.76746)(774.0666, 2567.6902)(775.06854, 1062.9191)(776.0701, 612.4)" 751.0792@8.680769 FindByFormula + 751.0792 8.680769 751.224@9.636499 "(752.23096, 3183.5552)(753.2381, 2070.6748)" 751.224@9.636499 FindByFormula + 751.224 9.636499 751.2264@26.0325 "(752.2385, 1955.2224)(753.2408, 584.90247)(754.2384, 1800.6176)(755.24146, 541.43)(756.24677, 221.72002)" 751.2264@26.0325 FindByFormula + 751.2264 26.0325 751.242@15.069 "(750.23303, 1229.795)(751.2328, 464.34998)" 751.242@15.069 FindByFormula - 751.242 15.069 751.2609@6.9617143 "(752.2661, 10941.476)(753.2704, 4168.713)(754.27014, 1455.5156)(755.28033, 351.46997)(774.2554, 72.31)" 751.2609@6.9617143 FindByFormula + 751.2609 6.9617143 751.3574@9.492666 "(750.34766, 1200.6018)(751.3506, 553.83997)" 751.3574@9.492666 FindByFormula - 751.3574 9.492666 751.4162@2.5523334 "(752.4268, 2018.3115)(753.42926, 950.1901)(754.42615, 484.28998)(774.4051, 479.24)(775.4154, 399.22498)" 751.4162@2.5523334 FindByFormula + 751.4162 2.5523334 751.5411@24.350668 "(752.54706, 2420.9802)(753.5512, 1451.0333)(754.5461, 409.00333)" 751.5411@24.350668 FindByFormula + 751.5411 24.350668 751.921@7.2015 "(752.92303, 2467.82)(753.92786, 1292.0499)(774.9103, 1885.36)(775.9132, 1284.6)" 751.921@7.2015 FindByFormula + 751.921 7.2015 752.5194@8.24 "(751.5127, 1407.915)(752.5137, 741.495)" 752.5194@8.24 FindByFormula - 752.5194 8.24 753.2445@26.057333 "(754.23914, 2170.3145)(755.2415, 1007.85114)" 753.2445@26.057333 FindByFormula + 753.2445 26.057333 753.368@1.868 "(752.3634, 2954.8801)(753.3656, 1296.6849)" 753.368@1.868 FindByFormula - 753.368 1.868 753.434@9.1715 "(752.4265, 963.9)(753.4301, 419.935)(754.4387, 100.945)" 753.434@9.1715 FindByFormula - 753.434 9.1715 753.4349@8.028333 "(752.4324, 3263.7598)(753.43164, 1387.9567)(754.4277, 978.67)" 753.4349@8.028333 FindByFormula - 753.4349 8.028333 753.5146@22.4005 "(754.52136, 3788.81)(755.5253, 1551.46)(756.5315, 627.075)" 753.5146@22.4005 FindByFormula + 753.5146 22.4005 753.9564@6.6260004 "(1530.9004, 3938.37)(1531.9031, 3475.7498)(1532.8926, 1631.7626)(1533.903, 701.23)(377.9883, 1024.8)(378.4876, 641.70496)(754.95636, 1340.4867)(755.95636, 556.45337)" 753.9564@6.6260004 FindByFormula + 753.9564 6.6260004 753.9881@14.79 "(754.99585, 9786.45)(755.99567, 6891.765)" 753.9881@14.79 FindByFormula + 753.9881 14.79 754.8254@6.7545004 "(753.81616, 1020.44)(754.8159, 180.72)(755.81274, 333.35498)" 754.8254@6.7545004 FindByFormula - 754.8254 6.7545004 755.2846@6.9396667 "(754.27765, 1453.61)(755.2783, 532.6533)" 755.2846@6.9396667 FindByFormula - 755.2846 6.9396667 755.4544@6.847 "(378.73413, 747.16)(379.2386, 601.36)(379.7287, 144.77)(756.4482, 1704.47)(757.4659, 1198.1)(758.4425, 483.53)(778.44464, 5592.335)(779.4375, 2577.375)(780.4352, 838.26)" 755.4544@6.847 FindByFormula + 755.4544 6.847 755.4558@6.9026666 "(754.4505, 1918.9498)(755.45386, 864.3367)(756.4506, 206.8)" 755.4558@6.9026666 FindByFormula - 755.4558 6.9026666 755.4568@6.3995 "(378.73645, 2524.335)(379.23218, 1106.415)(379.7329, 485.05)(756.4572, 3751.1301)(757.46106, 1755.2849)(758.4512, 1014.95)(794.4213, 1290.48)(778.44025, 6849.2295)(779.442, 3202.855)(780.43994, 1205.375)" 755.4568@6.3995 FindByFormula + 755.4568 6.3995 755.4571@6.7990837 "(754.4512, 1951.9867)(755.45166, 903.6624)(756.44653, 230.81)" 755.4571@6.7990837 FindByFormula - 755.4571 6.7990837 755.4593@6.7618337 "(754.45245, 2180.08)(755.4536, 986.6467)(756.4429, 233.42)" 755.4593@6.7618337 FindByFormula - 755.4593 6.7618337 755.4929@7.3977995 "(754.49005, 996.4181)(755.4877, 504.52402)" 755.4929@7.3977995 FindByFormula - 755.4929 7.3977995 755.4944@7.4075003 "(756.49915, 2206.5498)(757.4955, 1090.705)(778.4896, 4822.64)(779.4777, 2098.75)" 755.4944@7.4075003 FindByFormula + 755.4944 7.4075003 755.8939@7.105 "(756.8978, 628.16504)(757.9023, 400.325)" 755.8939@7.105 FindByFormula + 755.8939 7.105 756.3808@6.7875 "(757.3834, 2796.6802)(758.39044, 1197.035)(759.3949, 1242.28)" 756.3808@6.7875 FindByFormula + 756.3808 6.7875 756.4217@8.490001 "(755.41656, 2410.4802)(756.4163, 1263.08)(757.41644, 480.58667)" 756.4217@8.490001 FindByFormula - 756.4217 8.490001 756.462@16.0415 "(757.4696, 1241.4724)(758.4709, 508.0025)(759.4693, 301.665)" 756.462@16.0415 FindByFormula + 756.462 16.0415 756.4632@15.709212 "(757.4695, 6612.1035)(758.4725, 2856.6694)(759.4709, 921.8652)(760.4737, 291.43225)" 756.4632@15.709212 FindByFormula + 756.4632 15.709212 756.4633@15.597667 "(757.4694, 4541.4116)(758.47314, 2063.5117)(759.4677, 785.68335)(760.4666, 177.44666)" 756.4633@15.597667 FindByFormula + 756.4633 15.597667 756.4649@15.734894 "(757.4693, 4955.3965)(758.4718, 2175.0356)(759.4694, 755.5286)(760.46954, 246.89429)" 756.4649@15.734894 FindByFormula + 756.4649 15.734894 756.4757@8.54925 "(755.46045, 1283.9275)(756.4535, 726.6575)" 756.4757@8.54925 FindByFormula - 756.4757 8.54925 756.8054@6.8216667 "(757.8119, 6299.22)(758.8081, 1060.5599)(759.8125, 525.645)(795.7598, 484.61)(796.7729, 234.16)" 756.8054@6.8216667 FindByFormula + 756.8054 6.8216667 757.091@8.662222 "(1537.1696, 510.29672)(758.10156, 8865.02)(759.1042, 3497.122)(760.0963, 1758.1177)(780.07947, 1303.4501)(781.07996, 668.348)(782.0842, 408.94333)" 757.091@8.662222 FindByFormula + 757.091 8.662222 757.0965@8.68125 "(758.10034, 8465.575)(759.10315, 3362.4238)(760.09845, 1694.6237)(780.0745, 142.1)" 757.0965@8.68125 FindByFormula + 757.0965 8.68125 757.2061@24.332 "(758.21515, 384.6367)(759.2172, 146.90334)" 757.2061@24.332 FindByFormula + 757.2061 24.332 757.2492@6.8595 "(379.634, 3217.06)(380.13406, 1073.53)(758.2575, 6327.785)(759.25854, 1885.665)(760.2551, 728.975)(761.256, 170.99)" 757.2492@6.8595 FindByFormula + 757.2492 6.8595 757.3725@6.472 "(758.3817, 3925.8)(759.36804, 1321.2)" 757.3725@6.472 FindByFormula + 757.3725 6.472 757.4769@7.6067505 "(756.4675, 1888.1401)(757.4705, 765.87756)" 757.4769@7.6067505 FindByFormula - 757.4769 7.6067505 757.5585@21.410334 "(758.56464, 2358.2766)(759.5711, 1066.1)(781.89355, 13920.667)(782.89655, 7353.2266)(783.9035, 3404.9167)(784.57733, 922.455)" 757.5585@21.410334 FindByFormula + 757.5585 21.410334 757.5604@26.9478 "(1517.1349, 565.55853)(1517.3845, 496.52753)(1518.139, 707.5467)(1538.1185, 150.87334)(758.5675, 16308.815)(759.5727, 7496.4893)(760.5831, 14720.116)(761.5874, 6912.373)(762.58954, 2551.965)(763.58905, 795.374)(780.7516, 11777.054)(781.5558, 5267.0347)(782.56604, 17230.424)(783.5702, 7958.8994)(784.5795, 9299.227)(785.5857, 2652.3074)(786.5895, 901.01)" 757.5604@26.9478 FindByFormula + 757.5604 26.9478 758.0755@14.527667 "(759.08514, 1943.6699)(760.0911, 618.63666)" 758.0755@14.527667 FindByFormula + 758.0755 14.527667 758.1437@13.654 "(1517.2948, 140.73)(759.1506, 1139.0933)(760.1506, 549.19666)(761.15576, 376.95667)" 758.1437@13.654 FindByFormula + 758.1437 13.654 758.3191@23.68 "(759.327, 3873.4849)(760.3301, 1775.145)(761.3358, 469.0)" 758.3191@23.68 FindByFormula + 758.3191 23.68 758.3438@18.198 "(759.3578, 2452.57)(760.35864, 1201.52)(761.35815, 1029.065)" 758.3438@18.198 FindByFormula + 758.3438 18.198 758.4596@4.3365 "(380.2382, 1067.95)(380.7427, 597.46)(759.4657, 578.055)(781.4485, 603.67)(782.44025, 221.5)" 758.4596@4.3365 FindByFormula + 758.4596 4.3365 758.5635@26.9155 "(759.57263, 11630.715)(760.5746, 3569.9849)(761.57465, 722.155)" 758.5635@26.9155 FindByFormula + 758.5635 26.9155 759.8821@7.05475 "(1520.7589, 5828.8374)(1521.7609, 5044.7124)(1522.7649, 2520.0127)(1523.7556, 1110.7825)(1558.716, 656.72)(1559.6895, 560.28503)(1542.7461, 2928.0225)(1543.7395, 2525.795)(760.8893, 6077.3203)(761.89026, 2682.47)(762.8932, 717.89)(798.83594, 962.77)(782.871, 4965.863)" 759.8821@7.05475 FindByFormula + 759.8821 7.05475 760.3736@8.9775 "(761.3782, 4584.7197)(762.3812, 2034.74)(763.38666, 1121.265)" 760.3736@8.9775 FindByFormula + 760.3736 8.9775 760.4284@8.2465 "(759.4166, 2568.06)(760.41907, 1046.74)" 760.4284@8.2465 FindByFormula - 760.4284 8.2465 760.5799@26.949871 "(761.5872, 12550.438)(762.59094, 3756.45)(763.59125, 963.3545)(764.5865, 500.91748)(799.5487, 1034.519)(800.5504, 538.8028)(801.54614, 243.59001)(783.56976, 8914.275)(784.5777, 7186.8076)(785.58594, 2706.7214)" 760.5799@26.949871 FindByFormula + 760.5799 26.949871 761.1979@1.9475 "(762.2041, 2572.8398)(763.19775, 1820.895)" 761.1979@1.9475 FindByFormula + 761.1979 1.9475 761.4179@22.534 "(760.4148, 876.784)(761.4151, 543.542)" 761.4179@22.534 FindByFormula - 761.4179 22.534 761.4266@1.9135 "(381.7237, 1851.81)(382.2207, 975.375)(382.72766, 467.645)(762.4282, 1216.98)(763.4307, 601.43)(764.4377, 859.01)(392.7143, 2266.2)(393.2175, 1848.16)" 761.4266@1.9135 FindByFormula + 761.4266 1.9135 761.5485@25.217 "(762.5575, 7320.135)(763.5597, 4174.0527)(764.5619, 635.21)" 761.5485@25.217 FindByFormula + 761.5485 25.217 761.5487@26.19525 "(762.5558, 1967.26)(763.55927, 1260.845)(764.5592, 492.935)" 761.5487@26.19525 FindByFormula + 761.5487 26.19525 761.5497@25.2471 "(762.55725, 3632.4673)(763.5591, 2101.556)(764.5604, 870.47754)(765.5638, 303.43)" 761.5497@25.2471 FindByFormula + 761.5497 25.2471 761.5851@26.949623 "(1546.1648, 165.08499)(762.5917, 2805.2764)(763.5947, 944.4438)" 761.5851@26.949623 FindByFormula + 761.5851 26.949623 762.1429@13.804501 "(763.1522, 1155.4299)(764.14935, 379.39502)" 762.1429@13.804501 FindByFormula + 762.1429 13.804501 762.3959@13.882333 "(763.39874, 3962.5867)(764.4031, 1643.6666)(765.40546, 620.4667)" 762.3959@13.882333 FindByFormula + 762.3959 13.882333 762.465@8.056 "(761.45935, 1945.875)(762.45996, 822.495)" 762.465@8.056 FindByFormula - 762.465 8.056 762.4658@8.056 "(761.45935, 1945.875)(762.45996, 822.495)" 762.4658@8.056 FindByFormula - 762.4658 8.056 764.0885@14.533501 "(765.1013, 2517.33)(766.10254, 1052.0)" 764.0885@14.533501 FindByFormula + 764.0885 14.533501 764.2112@1.9378 "(765.2145, 2015.1721)(766.21643, 1166.384)(767.2157, 841.835)(803.1668, 153.69)(787.2069, 286.06)" 764.2112@1.9378 FindByFormula + 764.2112 1.9378 764.8439@6.8292503 "(763.8412, 3279.81)(764.8429, 726.0475)" 764.8439@6.8292503 FindByFormula - 764.8439 6.8292503 764.849@6.7528 "(763.83923, 2866.4941)(764.84174, 554.458)" 764.849@6.7528 FindByFormula - 764.849 6.7528 765.3617@9.306334 "(764.35565, 929.48663)(765.3577, 471.64664)" 765.3617@9.306334 FindByFormula - 765.3617 9.306334 765.3627@9.17675 "(764.3539, 1093.4725)(765.355, 499.21)" 765.3627@9.17675 FindByFormula - 765.3627 9.17675 765.4062@7.5765 "(764.40027, 904.62)(765.39966, 491.825)" 765.4062@7.5765 FindByFormula - 765.4062 7.5765 765.4171@23.365334 "(766.42145, 1358.63)(767.4218, 920.96674)(768.41895, 498.21)" 765.4171@23.365334 FindByFormula + 765.4171 23.365334 765.4514@7.2883334 "(383.73477, 6600.107)(384.23508, 2842.5967)(384.73718, 873.67334)(385.239, 221.24)(766.4534, 7430.8066)(767.45166, 3499.1602)(768.451, 1482.4332)(769.4352, 564.2)(804.4177, 718.625)" 765.4514@7.2883334 FindByFormula + 765.4514 7.2883334 765.5233@16.819498 "(1532.0378, 116.06801)(766.5306, 20470.7)(767.53326, 8977.076)(768.54016, 2577.2766)(769.5398, 744.38727)" 765.5233@16.819498 FindByFormula + 765.5233 16.819498 765.5598@26.946 "(766.56793, 2166.2603)(767.57446, 816.98755)" 765.5598@26.946 FindByFormula + 765.5598 26.946 765.5629@21.050499 "(766.56885, 1693.1951)(767.5727, 401.14)(768.57983, 1765.78)" 765.5629@21.050499 FindByFormula + 765.5629 21.050499 765.564@22.028666 "(766.567, 6888.7437)(767.5709, 3067.4897)(768.5771, 6247.7344)(769.5751, 820.335)(770.5811, 419.885)(788.5562, 5477.4)(789.5567, 2432.9033)(790.5637, 2831.03)" 765.564@22.028666 FindByFormula + 765.564 22.028666 766.2586@22.2828 "(767.2654, 3844.7402)(768.26886, 1867.248)(769.26984, 521.412)" 766.2586@22.2828 FindByFormula + 766.2586 22.2828 766.2619@22.055 "(767.26715, 3893.4382)(768.27, 1861.1449)(769.27325, 439.955)" 766.2619@22.055 FindByFormula + 766.2619 22.055 766.2902@20.435999 "(767.2929, 3692.623)(768.2952, 1552.8168)(769.2974, 538.47)" 766.2902@20.435999 FindByFormula + 766.2902 20.435999 767.0526@8.671333 "(384.533, 3671.1934)(385.03525, 1524.4567)(385.53308, 885.6434)(768.05945, 1060.585)" 767.0526@8.671333 FindByFormula + 767.0526 8.671333 767.401@7.4435 "(768.39386, 49993.38)(769.397, 19078.129)(770.40344, 4671.42)(790.38293, 26828.936)(791.38696, 11094.75)(792.4003, 2189.975)" 767.401@7.4435 FindByFormula + 767.401 7.4435 767.4139@4.374666 "(768.4229, 6775.8203)(769.42035, 2892.0867)(770.41895, 972.37665)(790.404, 3959.0098)(791.40814, 1625.9467)" 767.4139@4.374666 FindByFormula + 767.4139 4.374666 767.4163@4.376 "(768.4227, 4158.57)(769.421, 1764.9142)(770.41986, 687.6533)(790.4044, 2339.8557)(791.4069, 959.7272)(792.4033, 560.446)" 767.4163@4.376 FindByFormula + 767.4163 4.376 767.5754@22.03925 "(1574.1058, 118.925)(768.58203, 9204.109)(769.58374, 4263.7065)(770.5839, 1858.4498)(771.5921, 257.92)(790.5662, 7459.6035)(791.56274, 3978.3733)(792.5781, 3803.7969)" 767.5754@22.03925 FindByFormula + 767.5754 22.03925 767.5798@20.763 "(1574.1196, 122.515)(768.5824, 3411.605)(769.58264, 1360.8049)(770.57715, 415.03497)(790.5795, 1454.5)(791.5685, 1000.39)(792.5847, 1125.99)" 767.5798@20.763 FindByFormula + 767.5798 20.763 767.7139@7.070333 "(768.7246, 11595.345)(769.726, 5341.195)(770.73584, 373.69)" 767.7139@7.070333 FindByFormula + 767.7139 7.070333 768.0506@7.0699997 "(769.0585, 21800.266)(770.05756, 3988.355)(771.07385, 3347.1802)" 768.0506@7.0699997 FindByFormula + 768.0506 7.0699997 768.2647@8.6970005 "(769.27075, 9107.565)(770.2731, 4182.185)(771.2831, 2344.085)(772.2914, 2080.71)(773.3154, 370.99)" 768.2647@8.6970005 FindByFormula + 768.2647 8.6970005 769.4595@7.3050003 "(770.46924, 9672.797)(771.45953, 5368.3066)" 769.4595@7.3050003 FindByFormula + 769.4595 7.3050003 769.5009@22.326 "(768.49475, 608.505)(769.49786, 429.87)" 769.5009@22.326 FindByFormula - 769.5009 22.326 769.8402@26.520271 "(1578.6324, 63.76)(770.85004, 6413.6274)(771.8528, 845.26086)(772.8496, 435.27914)" 769.8402@26.520271 FindByFormula + 769.8402 26.520271 769.8406@22.008999 "(770.85034, 1488.335)(771.8507, 407.36002)" 769.8406@22.008999 FindByFormula + 769.8406 22.008999 769.8414@26.583881 "(1578.6572, 345.815)(770.8505, 5798.3)(771.8521, 867.1172)(772.85345, 378.9746)" 769.8414@26.583881 FindByFormula + 769.8414 26.583881 769.8422@26.510632 "(1578.645, 365.26)(770.85095, 6596.248)(771.85333, 952.25616)(772.8542, 529.52496)" 769.8422@26.510632 FindByFormula + 769.8422 26.510632 769.9088@7.3535004 "(770.92175, 2184.9648)(771.91455, 1373.13)" 769.9088@7.3535004 FindByFormula + 769.9088 7.3535004 770.1078@17.529999 "(771.1131, 1339.6699)(772.12805, 674.865)" 770.1078@17.529999 FindByFormula + 770.1078 17.529999 770.1437@16.834002 "(771.1506, 236.18)(793.13605, 2629.0234)(794.1367, 684.8933)" 770.1437@16.834002 FindByFormula + 770.1437 16.834002 770.1735@13.617332 "(771.1828, 2022.1334)(772.18475, 696.7166)" 770.1735@13.617332 FindByFormula + 770.1735 13.617332 770.4176@7.2655 "(1579.8126, 571.85)(771.42444, 2501.0498)(772.41284, 1401.685)(793.4093, 16021.359)(794.41455, 7008.715)" 770.4176@7.2655 FindByFormula + 770.4176 7.2655 770.4229@7.1584997 "(769.41626, 3161.255)(770.4154, 1385.6849)" 770.4229@7.1584997 FindByFormula - 770.4229 7.1584997 770.4637@1.0856667 "(771.47266, 2384.7168)(772.47565, 976.6434)(773.45685, 500.59665)(793.4453, 691.2734)(794.43964, 395.68335)" 770.4637@1.0856667 FindByFormula + 770.4637 1.0856667 770.4741@29.7205 "(771.482, 2768.9648)(772.484, 1184.5)" 770.4741@29.7205 FindByFormula + 770.4741 29.7205 770.4741@29.805248 "(771.4832, 2389.56)(772.48346, 1000.04504)" 770.4741@29.805248 FindByFormula + 770.4741 29.805248 770.4751@29.518398:1 "(771.48376, 2441.6663)(772.48596, 1062.3959)" 770.4751@29.518398:1 FindByFormula + 770.4751 29.518398 770.4751@29.518398:2 "(771.48376, 2441.6663)(772.48596, 1062.3959)" 770.4751@29.518398:2 FindByFormula + 770.4751 29.518398 770.477@15.044477 "(771.4846, 5459.813)(772.48914, 2411.1123)(773.4906, 688.68036)(774.4927, 202.80429)" 770.477@15.044477 FindByFormula + 770.477 15.044477 770.8706@7.0577335 "(771.88055, 12820.365)(772.88336, 4902.681)" 770.8706@7.0577335 FindByFormula + 770.8706 7.0577335 771.2029@15.092 "(770.1963, 1578.4651)(771.1985, 575.08)" 771.2029@15.092 FindByFormula - 771.2029 15.092 771.4181@8.627334 "(772.4246, 5084.203)(773.4177, 1228.4767)" 771.4181@8.627334 FindByFormula + 771.4181 8.627334 771.4203@11.039 "(772.426, 3279.1199)(773.43066, 1739.03)(774.4325, 668.86)(794.40564, 3180.65)(795.41, 3376.89)(796.4095, 1513.87)" 771.4203@11.039 FindByFormula + 771.4203 11.039 771.4204@7.6665 "(770.4104, 1856.055)(771.4203, 458.935)" 771.4204@7.6665 FindByFormula - 771.4204 7.6665 771.4876@7.9078 "(770.47986, 1917.092)(771.48267, 767.12195)(772.4815, 105.09)" 771.4876@7.9078 FindByFormula - 771.4876 7.9078 771.4912@7.9098334 "(770.4836, 2489.0452)(771.4863, 1108.63)(772.479, 409.595)" 771.4912@7.9098334 FindByFormula - 771.4912 7.9098334 771.6066@25.827667 "(772.6135, 7312.7734)(773.61206, 3116.3567)(774.6111, 1017.2967)" 771.6066@25.827667 FindByFormula + 771.6066 25.827667 772.3366@24.241001 "(773.3434, 6498.719)(774.3457, 2719.8225)(775.35376, 713.71747)" 772.3366@24.241001 FindByFormula + 772.3366 24.241001 772.3683@2.4620001 "(773.37396, 2330.3774)(774.38324, 1000.0725)(775.3685, 421.41748)(795.3555, 2823.6826)(796.3578, 1191.1849)(797.36163, 579.53)" 772.3683@2.4620001 FindByFormula + 772.3683 2.4620001 772.4003@7.7005 "(773.4118, 1482.575)(774.40686, 306.86)" 772.4003@7.7005 FindByFormula + 772.4003 7.7005 772.4049@6.5165 "(773.41174, 5187.525)(774.4121, 2407.77)(775.4043, 607.665)" 772.4049@6.5165 FindByFormula + 772.4049 6.5165 772.4066@4.23025 "(773.4147, 2322.0125)(774.414, 969.26495)" 772.4066@4.23025 FindByFormula + 772.4066 4.23025 772.4089@8.659 "(773.41504, 19857.053)(774.4152, 7325.1294)(775.416, 2960.4502)(776.4103, 554.86)" 772.4089@8.659 FindByFormula + 772.4089 8.659 772.4843@16.812428 "(773.4922, 75891.65)(774.4953, 16093.06)" 772.4843@16.812428 FindByFormula + 772.4843 16.812428 773.3493@8.501699 "(772.3419, 4550.6333)(773.34534, 1816.1947)(774.3547, 494.96597)" 773.3493@8.501699 FindByFormula - 773.3493 8.501699 773.3503@8.5082 "(774.35803, 4769.375)(775.3765, 3028.8699)(776.3897, 1708.14)(796.3363, 17733.176)(797.34436, 7501.806)(798.3484, 2158.188)" 773.3503@8.5082 FindByFormula + 773.3503 8.5082 773.4316@8.1189995 "(772.42316, 2146.2349)(773.42456, 850.34)(774.4231, 489.83)" 773.4316@8.1189995 FindByFormula - 773.4316 8.1189995 774.163@1.94 "(1549.3365, 266.36)(388.0907, 1642.23)(388.58755, 856.55505)" 774.163@1.94 FindByFormula + 774.163 1.94 774.2418@1.268 "(775.2486, 1238.07)(813.2092, 825.20996)(797.2325, 4191.01)(798.2363, 1368.72)(799.2462, 1279.8351)" 774.2418@1.268 FindByFormula + 774.2418 1.268 774.2561@7.163062 "(775.2655, 76858.23)(776.2692, 32900.87)(777.27045, 9633.888)(778.2768, 2329.7957)(813.2326, 119.3)" 774.2561@7.163062 FindByFormula + 774.2561 7.163062 774.2599@7.1610713 "(775.2658, 70954.14)(776.2701, 30269.877)(777.271, 8562.196)(778.2777, 3135.04)" 774.2599@7.1610713 FindByFormula + 774.2599 7.1610713 774.353@7.465 "(775.3699, 3928.69)(776.3707, 1421.37)(777.38025, 846.595)" 774.353@7.465 FindByFormula + 774.353 7.465 774.3921@3.1026669 "(775.39374, 1634.4633)(776.3965, 764.9466)(777.3999, 505.91333)(797.3752, 1092.2767)(798.37427, 452.19336)" 774.3921@3.1026669 FindByFormula + 774.3921 3.1026669 776.2902@10.519 "(777.29675, 358.38498)(778.30457, 275.56)(799.2729, 187.62)" 776.2902@10.519 FindByFormula + 776.2902 10.519 776.4869@13.032001 "(777.49603, 2385.9983)(778.4988, 1135.195)(779.4973, 349.75)" 776.4869@13.032001 FindByFormula + 776.4869 13.032001 776.563@25.827051 "(777.56915, 13513.735)(778.5736, 6098.3066)(779.5706, 1700.1116)(780.58405, 226.34999)" 776.563@25.827051 FindByFormula + 776.563 25.827051 777.4339@6.701 "(778.44446, 7489.4473)(779.4392, 3403.3948)(780.4354, 1019.1375)(800.42694, 6539.258)(801.42804, 3096.4624)(802.4272, 1435.5225)" 777.4339@6.701 FindByFormula + 777.4339 6.701 779.5419@24.010332 "(780.5498, 11139.823)(781.5552, 5191.1465)(782.56476, 3525.3367)(783.5748, 1043.06)" 779.5419@24.010332 FindByFormula + 779.5419 24.010332 779.5424@22.461832 "(780.5498, 28049.482)(781.5545, 12489.405)(782.565, 20067.104)(783.57074, 8877.217)(784.57605, 4204.515)(785.5828, 1168.895)(786.5969, 594.35004)(804.5513, 18791.953)" 779.5424@22.461832 FindByFormula + 779.5424 22.461832 780.0542@6.8255 "(781.0604, 1827.97)(782.062, 1548.5801)" 780.0542@6.8255 FindByFormula + 780.0542 6.8255 780.1931@8.91 "(781.2024, 764.975)(782.20105, 352.04)" 780.1931@8.91 FindByFormula + 780.1931 8.91 780.2649@26.6595 "(781.2731, 7541.798)(782.2766, 2518.725)(783.27325, 873.03796)" 780.2649@26.6595 FindByFormula + 780.2649 26.6595 780.2666@26.593798 "(781.2727, 6008.0156)(782.2764, 2005.284)(783.2715, 962.19006)(784.26294, 340.84)" 780.2666@26.593798 FindByFormula + 780.2666 26.593798 780.416@6.6905003 "(779.411, 1216.185)(780.4104, 503.98)" 780.416@6.6905003 FindByFormula - 780.416 6.6905003 780.4267@18.873503 "(781.42816, 832.61163)(782.43604, 506.51)" 780.4267@18.873503 FindByFormula + 780.4267 18.873503 781.2689@26.64175 "(782.27563, 1340.6575)(783.2706, 622.7975)" 781.2689@26.64175 FindByFormula + 781.2689 26.64175 781.4279@6.8785 "(782.43365, 5343.515)(783.43304, 2299.62)(784.425, 1440.04)" 781.4279@6.8785 FindByFormula + 781.4279 6.8785 781.5581@26.956 "(782.566, 20585.596)(783.5703, 9482.78)(784.57745, 6681.6836)(820.5227, 720.385)(804.5498, 3480.79)(805.55206, 1633.1466)(806.5591, 2949.32)" 781.5581@26.956 FindByFormula + 781.5581 26.956 781.5586@26.950567 "(782.56635, 16889.033)(783.5707, 8054.3853)(784.57874, 6247.551)(785.58636, 3145.6963)(786.59174, 1511.37)(820.5254, 478.91)(804.5506, 3085.164)(805.55347, 1386.7642)(806.5638, 2897.0957)" 781.5586@26.950567 FindByFormula + 781.5586 26.950567 782.3995@20.487665 "(783.40106, 1347.025)(784.3928, 640.89)(785.3889, 333.985)(805.38947, 2550.6465)(806.3938, 1084.0734)(807.3989, 726.0166)" 782.3995@20.487665 FindByFormula + 782.3995 20.487665 782.4224@7.6335 "(781.4144, 2788.49)(782.4177, 1111.265)" 782.4224@7.6335 FindByFormula - 782.4224 7.6335 782.469@7.1327996 "(781.45996, 968.74396)(782.4609, 450.10602)" 782.469@7.1327996 FindByFormula - 782.469 7.1327996 782.5612@20.891 "(783.56866, 7523.91)(784.5749, 2800.0469)(785.58057, 858.32666)" 782.5612@20.891 FindByFormula + 782.5612 20.891 782.5614@21.969667 "(783.56854, 23467.904)(784.5759, 7539.5806)(785.58405, 1811.0302)" 782.5614@21.969667 FindByFormula + 782.5614 21.969667 782.5615@22.193748 "(783.56885, 25186.857)(784.5749, 7927.7134)(785.5823, 1732.1364)(821.518, 201.28)" 782.5615@22.193748 FindByFormula + 782.5615 22.193748 782.5623@22.015833 "(783.5691, 29703.197)(784.57495, 9563.555)(785.5826, 2088.3728)(821.53076, 1033.5466)" 782.5623@22.015833 FindByFormula + 782.5623 22.015833 782.5634@21.2255 "(783.56854, 5900.3896)(784.577, 1705.69)(785.58386, 667.83997)" 782.5634@21.2255 FindByFormula + 782.5634 21.2255 782.5639@24.031752 "(783.56976, 13792.172)(784.57654, 4135.3525)(785.58545, 713.21246)" 782.5639@24.031752 FindByFormula + 782.5639 24.031752 782.5648@26.910692 "(783.5699, 9154.444)(784.5762, 4447.8794)(785.5836, 1432.688)" 782.5648@26.910692 FindByFormula + 782.5648 26.910692 782.5656@26.551142 "(783.5707, 6397.827)(784.57697, 2601.773)(785.5869, 632.8243)" 782.5656@26.551142 FindByFormula + 782.5656 26.551142 782.566@26.942 "(783.5703, 10491.463)(784.57666, 5129.6533)(785.58405, 1878.1733)" 782.566@26.942 FindByFormula + 782.566 26.942 782.8383@2.2593334 "(783.84796, 3227.6965)(784.84955, 809.13995)" 782.8383@2.2593334 FindByFormula + 782.8383 2.2593334 782.8407@2.381667 "(783.84845, 1695.2233)(784.8508, 416.27002)" 782.8407@2.381667 FindByFormula + 782.8407 2.381667 782.8412@2.381667 "(783.84845, 1695.2233)(784.8508, 416.27002)" 782.8412@2.381667 FindByFormula + 782.8412 2.381667 783.9626@8.602334 "(1568.9376, 1386.6533)(1569.9277, 1253.2933)(1570.9332, 673.17334)(1571.9502, 191.44)(1590.9225, 10073.65)(1591.9233, 9099.043)(1592.9213, 4347.1934)(1593.9247, 1930.11)(784.98145, 1982.975)(785.9887, 552.55)(786.9753, 205.75)(806.9589, 16148.6)(807.9569, 6538.29)" 783.9626@8.602334 FindByFormula + 783.9626 8.602334 784.0552@7.026 "(785.06195, 4970.915)(786.06323, 1985.73)" 784.0552@7.026 FindByFormula + 784.0552 7.026 784.2379@10.106999 "(393.12527, 2554.7334)(393.62817, 220.55)(394.12656, 377.12668)" 784.2379@10.106999 FindByFormula + 784.2379 10.106999 784.3974@7.052 "(1608.7878, 113.5)(785.4032, 5026.37)(786.42017, 2514.05)" 784.3974@7.052 FindByFormula + 784.3974 7.052 784.4058@8.272751 "(785.4104, 4987.238)(786.41144, 2581.7424)" 784.4058@8.272751 FindByFormula + 784.4058 8.272751 784.4374@22.48757 "(783.4283, 1631.7343)(784.43176, 862.2743)(785.43585, 237.8943)" 784.4374@22.48757 FindByFormula - 784.4374 22.48757 784.5743@13.73025 "(785.58936, 3047.4988)(786.5944, 1543.8438)(787.5942, 583.36)(788.59607, 251.37)(823.5382, 36230.027)(824.5425, 19660.771)(825.54395, 6156.5464)(826.54755, 1829.4475)(807.5661, 15287.713)(808.5709, 9340.811)(809.56793, 6021.7427)(810.57025, 1707.2625)" 784.5743@13.73025 FindByFormula + 784.5743 13.73025 784.5758@24.3125 "(783.56946, 1003.08997)(784.5731, 521.655)" 784.5758@24.3125 FindByFormula - 784.5758 24.3125 784.5788@26.532598 "(785.5868, 688.416)(786.5951, 512.95593)" 784.5788@26.532598 FindByFormula + 784.5788 26.532598 785.4717@8.364667 "(784.4576, 1648.5635)(785.4626, 882.8599)" 785.4717@8.364667 FindByFormula - 785.4717 8.364667 785.5047@7.300001 "(784.49695, 17948.15)(785.4991, 7751.071)(786.5008, 2030.342)(787.5008, 508.81863)" 785.5047@7.300001 FindByFormula - 785.5047 7.300001 785.5892@20.777334 "(786.5964, 10367.687)(787.6014, 3553.3867)(808.5804, 7266.6797)(809.586, 3705.2703)(810.59174, 3401.8801)(811.5998, 677.05)" 785.5892@20.777334 FindByFormula + 785.5892 20.777334 785.5897@21.5525 "(786.5974, 958.21497)(787.60376, 514.07)(808.5785, 3190.6)(809.5871, 1459.71)(810.5978, 1035.2)" 785.5897@21.5525 FindByFormula + 785.5897 21.5525 785.5955@26.957067 "(786.59875, 12443.839)(787.606, 6067.098)(788.6071, 4608.807)(789.6068, 1730.5901)(790.60364, 592.06)(824.5488, 980.9182)(825.5531, 545.9682)(826.5594, 408.979)(808.58093, 7739.0996)(809.5889, 3491.2837)(810.59735, 4571.7046)(811.6016, 1713.1901)" 785.5955@26.957067 FindByFormula + 785.5955 26.957067 785.8151@26.516624 "(786.82227, 1218.3824)(787.8313, 444.6388)" 785.8151@26.516624 FindByFormula + 785.8151 26.516624 786.2385@12.034 "(787.24805, 1700.9)(788.24963, 738.75)" 786.2385@12.034 FindByFormula + 786.2385 12.034 786.3536@24.748999 "(787.3596, 5264.1143)(788.36206, 2108.936)(789.37024, 663.204)" 786.3536@24.748999 FindByFormula + 786.3536 24.748999 786.4057@18.070402 "(787.41223, 9339.698)(788.41437, 4791.388)(789.4129, 2424.4055)(790.41266, 798.0042)(791.4136, 226.465)" 786.4057@18.070402 FindByFormula + 786.4057 18.070402 786.4499@16.822147 "(787.4597, 46967.65)(788.46313, 20799.283)(789.45935, 7043.225)(790.45886, 2314.94)(791.4566, 486.6)" 786.4499@16.822147 FindByFormula + 786.4499 16.822147 786.4535@16.82026 "(787.4601, 45513.605)(788.4634, 20198.81)(789.4622, 9120.454)(790.4625, 2101.226)(791.46173, 695.4886)" 786.4535@16.82026 FindByFormula + 786.4535 16.82026 786.4541@16.810299 "(787.46106, 46838.695)(788.4639, 20725.875)(789.46277, 9294.782)(790.46356, 3221.8213)(791.4614, 947.2893)" 786.4541@16.810299 FindByFormula + 786.4541 16.810299 787.4125@7.476556 "(786.4044, 7326.174)(787.40765, 2910.6245)(788.4104, 747.53)" 787.4125@7.476556 FindByFormula - 787.4125 7.476556 787.4316@1.7801428 "(788.4386, 6733.414)(789.43835, 2994.937)(790.4418, 838.2514)" 787.4316@1.7801428 FindByFormula + 787.4316 1.7801428 787.4343@1.77825 "(394.72537, 498.18335)(395.2217, 321.55334)(788.4402, 12161.32)(789.4403, 5212.0503)(790.44324, 1395.7826)(791.4343, 464.725)" 787.4343@1.77825 FindByFormula + 787.4343 1.77825 787.5453@22.376999 "(788.5539, 4510.965)(789.55536, 2387.7651)(790.56433, 5388.31)" 787.5453@22.376999 FindByFormula + 787.5453 22.376999 787.609@26.953716 "(788.6149, 7529.0996)(789.61774, 3619.1133)(790.6028, 1616.7334)(810.59924, 7595.1216)(811.6039, 3877.8645)(812.60626, 1541.1556)" 787.609@26.953716 FindByFormula + 787.609 26.953716 787.6953@1.9054999 "(1598.3994, 521.72)(788.7013, 2397.8052)(789.6997, 423.67502)" 787.6953@1.9054999 FindByFormula + 787.6953 1.9054999 788.0775@20.742 "(789.084, 994.24)(790.0904, 412.84497)" 788.0775@20.742 FindByFormula + 788.0775 20.742 788.2375@21.0495 "(789.2412, 1261.55)(790.2451, 755.815)" 788.2375@21.0495 FindByFormula + 788.2375 21.0495 788.4188@8.7196665 "(395.2171, 3974.38)(395.7181, 1802.67)(789.4206, 6450.78)(790.4202, 3747.7332)(791.42126, 1109.15)(811.4081, 4130.865)(812.412, 1510.89)(813.4226, 529.61)" 788.4188@8.7196665 FindByFormula + 788.4188 8.7196665 788.4396@6.8280005 "(395.2293, 1821.04)(395.7305, 599.83)(396.2312, 21.93)(789.4391, 757.345)(790.4547, 176.35)(811.4387, 1348.97)(812.455, 720.2)" 788.4396@6.8280005 FindByFormula + 788.4396 6.8280005 788.4469@8.565333 "(787.43964, 616.43)(788.435, 366.1467)" 788.4469@8.565333 FindByFormula - 788.4469 8.565333 788.4503@16.8295 "(789.4558, 6265.705)(790.45593, 1905.5)(791.45044, 610.81)" 788.4503@16.8295 FindByFormula + 788.4503 16.8295 789.029@7.6575003 "(1579.05, 473.72498)(1580.0435, 409.66498)(790.0392, 1095.18)(791.0523, 813.74)(792.0316, 1172.81)" 789.029@7.6575003 FindByFormula + 789.029 7.6575003 789.2613@14.7992 "(790.2704, 1698.718)(791.26904, 585.76697)(792.2573, 208.88)" 789.2613@14.7992 FindByFormula + 789.2613 14.7992 789.3959@4.3791666 "(790.40497, 3234.9949)(791.4077, 1321.9033)(792.40326, 527.0933)" 789.3959@4.3791666 FindByFormula + 789.3959 4.3791666 789.3967@4.3409996 "(790.40576, 3364.222)(791.4078, 1445.185)(792.40753, 473.95334)" 789.3967@4.3409996 FindByFormula + 789.3967 4.3409996 789.4682@6.925125 "(788.4541, 1357.0925)(789.45557, 566.9513)" 789.4682@6.925125 FindByFormula - 789.4682 6.925125 789.5583@22.046667 "(790.56586, 6709.5063)(791.5622, 3673.4968)(792.57733, 3355.2732)" 789.5583@22.046667 FindByFormula + 789.5583 22.046667 789.5721@27.003 "(790.5775, 1134.125)(791.576, 342.56)(792.5794, 492.055)" 789.5721@27.003 FindByFormula + 789.5721 27.003 789.8411@7.057 "(1602.6677, 1509.54)(1603.6732, 1081.3201)(790.8496, 1582.0)(791.853, 1359.4)" 789.8411@7.057 FindByFormula + 789.8411 7.057 789.9745@6.6495 "(790.9754, 1782.16)(791.4662, 1489.19)(791.9646, 477.53)(812.9624, 1905.1649)(813.464, 1376.54)(813.959, 641.245)(801.9663, 1441.8)(802.4755, 1086.945)(802.9736, 233.54)(395.99615, 685.935)(396.48895, 302.575)" 789.9745@6.6495 FindByFormula + 789.9745 6.6495 790.8657@4.685667 "(825.82983, 1565.975)(826.83264, 345.14)(827.826, 591.58)(828.8264, 92.274994)(789.8543, 28143.725)(790.85724, 5811.9473)(791.8599, 1098.9)" 790.8657@4.685667 FindByFormula - 790.8657 4.685667 790.8662@4.6843333 "(825.8318, 2692.74)(826.8356, 554.38)(827.8291, 1026.4)(789.85693, 27366.076)(790.8599, 5660.3804)(791.8633, 1166.4901)" 790.8662@4.6843333 FindByFormula - 790.8662 4.6843333 790.868@4.0975 "(791.8792, 69.59)(829.83374, 1131.175)(830.8374, 311.54498)(831.8241, 145.755)(813.8596, 3426.245)(814.8626, 947.745)(815.8718, 276.485)" 790.868@4.0975 FindByFormula + 790.868 4.0975 790.8715@4.039 "(825.83563, 2057.5833)(789.8583, 18647.773)(790.86035, 3913.4126)(791.8616, 749.6125)" 790.8715@4.039 FindByFormula - 790.8715 4.039 791.3798@7.8315 "(790.3762, 1484.19)(791.3806, 708.56)" 791.3798@7.8315 FindByFormula - 791.3798 7.8315 791.9753@7.739 "(822.9492, 2778.915)(823.43567, 3892.5452)(814.9559, 784.765)" 791.9753@7.739 FindByFormula + 791.9753 7.739 791.9769@6.4446664 "(792.978, 1326.1866)(793.47925, 1297.7401)(793.9839, 728.06)(803.96606, 1426.8232)(804.46796, 1414.2001)(804.97064, 915.80664)(823.1926, 247.73)(823.4459, 203.67)(396.9982, 3882.5032)(397.50113, 1855.93)(397.99805, 180.67)(814.95966, 2148.8835)" 791.9769@6.4446664 FindByFormula + 791.9769 6.4446664 792.0486@9.660999 "(793.0553, 14142.885)(794.06464, 2298.205)(795.06177, 2949.9849)" 792.0486@9.660999 FindByFormula + 792.0486 9.660999 792.2@1.9026667 "(793.20624, 574.7734)(794.199, 339.25668)" 792.2@1.9026667 FindByFormula + 792.2 1.9026667 792.2672@7.1703334 "(793.27563, 26246.158)(794.2788, 10965.94)(795.2837, 2704.7979)(796.2834, 993.5234)" 792.2672@7.1703334 FindByFormula + 792.2672 7.1703334 792.2784@21.984667 "(793.2856, 11803.966)(794.2893, 5528.35)(795.29254, 1661.16)(796.2892, 474.98798)" 792.2784@21.984667 FindByFormula + 792.2784 21.984667 792.3764@6.9943333 "(827.34845, 700.53)(828.34784, 275.02667)(829.34393, 265.20334)(791.3657, 396.27002)(792.3683, 266.74)" 792.3764@6.9943333 FindByFormula - 792.3764 6.9943333 792.3991@7.259 "(793.4085, 40071.61)(794.412, 17709.8)(795.4226, 6841.23)" 792.3991@7.259 FindByFormula + 792.3991 7.259 792.4051@8.563666 "(791.3973, 610.0267)(792.4004, 335.98334)" 792.4051@8.563666 FindByFormula - 792.4051 8.563666 792.4809@6.4235 "(397.24683, 1854.0499)(397.7485, 275.655)(398.2459, 368.825)" 792.4809@6.4235 FindByFormula + 792.4809 6.4235 792.5365@26.6485 "(793.54364, 4988.56)(794.55225, 2743.405)(795.557, 1398.52)" 792.5365@26.6485 FindByFormula + 792.5365 26.6485 792.5389@26.6784 "(793.5446, 3108.998)(794.55396, 1619.392)(795.5569, 989.0)" 792.5389@26.6784 FindByFormula + 792.5389 26.6784 792.5555@23.254728 "(793.5629, 10552.457)(794.56696, 4751.3354)(795.56195, 1641.6719)(796.5648, 662.94)" 792.5555@23.254728 FindByFormula + 792.5555 23.254728 793.4834@6.9825 "(792.4829, 1657.7925)(793.485, 754.4975)" 793.4834@6.9825 FindByFormula - 793.4834 6.9825 793.5128@7.0907145 "(792.50214, 1667.35)(793.50507, 843.15137)" 793.5128@7.0907145 FindByFormula - 793.5128 7.0907145 794.2133@15.4806 "(795.22107, 1440.55)(796.2217, 581.662)(797.22314, 403.11002)(817.20197, 261.13998)" 794.2133@15.4806 FindByFormula + 794.2133 15.4806 794.3225@11.848223 "(398.16864, 519.67)(398.677, 189.7)(399.16162, 217.33)(795.33325, 6122.8164)(796.3374, 3024.5435)(797.3331, 1217.0779)" 794.3225@11.848223 FindByFormula + 794.3225 11.848223 794.3242@11.848131 "(398.1681, 777.5075)(398.6681, 428.56)(399.15897, 295.19998)(795.33374, 6133.2764)(796.3373, 3102.5408)(797.3332, 1136.7086)" 794.3242@11.848131 FindByFormula + 794.3242 11.848131 794.3258@11.846126 "(398.16852, 758.862)(398.66766, 511.308)(399.16522, 370.216)(795.3339, 5860.57)(796.33795, 3090.9011)(797.3369, 1456.3588)" 794.3258@11.846126 FindByFormula + 794.3258 11.846126 794.327@12.401333 "(795.332, 2660.1067)(796.3369, 1429.5332)" 794.327@12.401333 FindByFormula + 794.327 12.401333 794.3414@12.67775 "(795.3519, 2487.6626)(796.3537, 1120.0701)(797.35547, 441.2175)" 794.3414@12.67775 FindByFormula + 794.3414 12.67775 794.3457@2.45675 "(795.35547, 1463.665)(796.3562, 730.1675)" 794.3457@2.45675 FindByFormula + 794.3457 2.45675 794.3856@8.2735 "(793.38086, 3044.965)(794.3799, 1160.215)(795.3891, 303.325)" 794.3856@8.2735 FindByFormula - 794.3856 8.2735 794.5382@18.901749 "(795.54584, 3583.4224)(796.5482, 2006.9225)(797.551, 324.855)" 794.5382@18.901749 FindByFormula + 794.5382 18.901749 795.2122@14.962 "(796.2167, 822.98)(797.21497, 582.27)" 795.2122@14.962 FindByFormula + 795.2122 14.962 795.3261@9.566 "(796.33575, 2389.6199)(797.33307, 929.99)(798.3309, 690.4533)(834.28345, 1267.74)(835.27405, 475.33002)(836.2699, 169.19)(818.3182, 3678.7168)(819.3208, 1591.36)(820.3191, 611.0833)" 795.3261@9.566 FindByFormula + 795.3261 9.566 795.3358@8.510333 "(796.33734, 11435.554)(797.3433, 4978.6035)(798.33813, 1829.4701)" 795.3358@8.510333 FindByFormula + 795.3358 8.510333 795.5186@26.576 "(796.5307, 3256.566)(797.5349, 1757.3274)(798.54126, 2822.5073)(799.56006, 1194.996)" 795.5186@26.576 FindByFormula + 795.5186 26.576 795.5191@26.7655 "(796.52966, 2019.79)(797.53345, 720.555)(798.5386, 1663.8401)" 795.5191@26.7655 FindByFormula + 795.5191 26.7655 795.5339@22.025501 "(796.5414, 5545.945)(797.5437, 2916.03)(798.54175, 9718.7295)(799.54736, 3919.2798)(800.54895, 2213.03)" 795.5339@22.025501 FindByFormula + 795.5339 22.025501 796.2277@1.2594 "(797.2318, 11118.541)(798.23456, 3815.8384)(799.2435, 3065.4077)" 796.2277@1.2594 FindByFormula + 796.2277 1.2594 796.3715@3.0865002 "(797.3754, 2354.8298)(798.37744, 1032.4125)(819.3543, 821.3075)" 796.3715@3.0865002 FindByFormula + 796.3715 3.0865002 796.4291@7.8435 "(795.4236, 2789.8252)(796.42664, 1199.865)" 796.4291@7.8435 FindByFormula - 796.4291 7.8435 796.4394@7.9589996 "(819.4307, 6402.3447)(820.427, 2498.345)(821.42456, 757.025)" 796.4394@7.9589996 FindByFormula + 796.4394 7.9589996 796.4473@7.947 "(795.4418, 1077.36)(796.44434, 411.16498)" 796.4473@7.947 FindByFormula - 796.4473 7.947 796.4812@1.5975001 "(797.49, 2186.12)(798.4912, 905.62)(819.4701, 1563.635)(820.4647, 1167.395)" 796.4812@1.5975001 FindByFormula + 796.4812 1.5975001 797.0754@8.7005005 "(798.07965, 1193.925)(799.0797, 293.69)(800.07947, 304.435)(836.0368, 2951.21)(837.0344, 1106.0)(838.0349, 751.49)(820.0691, 3495.3901)(821.06665, 1662.25)" 797.0754@8.7005005 FindByFormula + 797.0754 8.7005005 797.081@8.182 "(836.041, 489.31)(837.0588, 189.76)(820.0638, 1256.9)(821.0661, 746.37)" 797.081@8.182 FindByFormula + 797.081 8.182 797.3279@1.9959999 "(798.3367, 2745.165)(799.3345, 1089.91)(800.3385, 476.60498)" 797.3279@1.9959999 FindByFormula + 797.3279 1.9959999 797.4428@7.2865 "(399.7288, 232.54)(400.2162, 110.6)(798.4545, 923.85)(799.4444, 513.4)" 797.4428@7.2865 FindByFormula + 797.4428 7.2865 798.5494@10.305 "(797.5415, 2166.6567)(798.54486, 1111.3033)" 798.5494@10.305 FindByFormula - 798.5494 10.305 798.8164@2.1673334 "(799.82275, 1461.3066)(800.8218, 482.15)" 798.8164@2.1673334 FindByFormula + 798.8164 2.1673334 799.4131@7.4975 "(800.42303, 689.36)(801.42334, 723.32)" 799.4131@7.4975 FindByFormula + 799.4131 7.4975 799.4177@6.5193334 "(800.4263, 7190.6265)(801.42694, 3213.5332)(802.42334, 1200.1934)" 799.4177@6.5193334 FindByFormula + 799.4177 6.5193334 "7-Acetoxy-7,8-dihydrobromovulone I" "7-Acetoxy-7,8-dihydrobromovulone I [ C23 H33 Br O6, db=65.99, tgt=, overall=65.99, Lipid ID=LMFA03120056, METLIN ID=96938 ]" "(507.1367, 3907.0952)(508.13925, 934.205)(509.13715, 287.09)" "7-Acetoxy-7,8-dihydrobromovulone I" FindByFormula + LMFA03120056 506.1269 22.008999 "7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid" "7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid [ C24 H40 O4, db=89.72, tgt=, overall=89.72, METLIN ID=42658 ]" "(391.28345, 10135.52)(392.28653, 2769.61)(393.29007, 338.05667)" "7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid" FindByFormula - 392.2926 12.468666 7alpha-Hydroxy-5beta-chol-3-en-24-oic Acid "7alpha-Hydroxy-5beta-chol-3-en-24-oic Acid [ C24 H38 O3, db=79.00, tgt=, overall=79.00, METLIN ID=42798 ]" "(375.28918, 2901.2976)(376.29187, 882.795)" 7alpha-Hydroxy-5beta-chol-3-en-24-oic Acid FindByFormula + 374.2804 13.709001 7beta-Hydroxy-lathyrol "7beta-Hydroxy-lathyrol [ C20 H30 O4, mfg=89.65, db=89.64, tgt=, overall=89.65, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22195, 6920.8306)(336.22656, 1822.8301)(337.22397, 453.38748)" 7beta-Hydroxy-lathyrol FindByFormula + LMPR0104310001 334.2149 9.464399 7beta-Hydroxy-lathyrol - 10.452221 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=89.93, tgt=, overall=89.93, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20578, 5168.221)(334.20917, 1153.6932)(335.2175, 296.11182)" 7beta-Hydroxy-lathyrol - 10.452221 FindByFormula - LMPR0104310001 334.2131 10.452221 7beta-Hydroxy-lathyrol - 10.4678 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=90.64, tgt=, overall=90.64, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20602, 4673.09)(334.20923, 1043.431)(335.21634, 304.1975)" 7beta-Hydroxy-lathyrol - 10.4678 FindByFormula - LMPR0104310001 334.2139 10.4678 7beta-Hydroxy-lathyrol - 10.557501 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=75.89, tgt=, overall=75.89, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20593, 5620.607)(334.20892, 1126.3226)(335.21606, 639.795)" 7beta-Hydroxy-lathyrol - 10.557501 FindByFormula - LMPR0104310001 334.2113 10.557501 7beta-Hydroxy-lathyrol - 11.1974 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=77.79, tgt=, overall=77.79, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20557, 4129.784)(334.20908, 927.494)" 7beta-Hydroxy-lathyrol - 11.1974 FindByFormula - LMPR0104310001 334.2154 11.1974 7beta-Hydroxy-lathyrol - 11.825218 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=89.55, tgt=, overall=89.55, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20587, 7457.978)(334.20886, 1664.5139)(335.214, 541.99)" 7beta-Hydroxy-lathyrol - 11.825218 FindByFormula - LMPR0104310001 334.2134 11.825218 7beta-Hydroxy-lathyrol - 11.827579 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=90.15, tgt=, overall=90.15, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20566, 7589.362)(334.20874, 1715.8916)(335.21115, 464.26)" 7beta-Hydroxy-lathyrol - 11.827579 FindByFormula - LMPR0104310001 334.2129 11.827579 7beta-Hydroxy-lathyrol - 11.832556 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=77.45, tgt=, overall=77.45, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20596, 7602.9946)(334.2088, 1713.0128)(335.2156, 887.3)" 7beta-Hydroxy-lathyrol - 11.832556 FindByFormula - LMPR0104310001 334.2142 11.832556 7beta-Hydroxy-lathyrol - 11.835635 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=82.46, tgt=, overall=82.46, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20636, 9261.19)(334.20935, 2051.5608)" 7beta-Hydroxy-lathyrol - 11.835635 FindByFormula - LMPR0104310001 334.2152 11.835635 7beta-Hydroxy-lathyrol - 11.843801 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=95.44, tgt=, overall=95.44, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.206, 14565.81)(334.20908, 3319.1577)(335.214, 541.99)" 7beta-Hydroxy-lathyrol - 11.843801 FindByFormula - LMPR0104310001 334.2129 11.843801 7beta-Hydroxy-lathyrol - 12.177834 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=78.80, tgt=, overall=78.80, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.2057, 8351.562)(334.2091, 1852.8932)" 7beta-Hydroxy-lathyrol - 12.177834 FindByFormula - LMPR0104310001 334.2142 12.177834 7beta-Hydroxy-lathyrol - 12.7108 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=94.35, tgt=, overall=94.35, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.206, 9382.12)(334.20917, 2111.51)(335.21863, 316.995)" 7beta-Hydroxy-lathyrol - 12.7108 FindByFormula - LMPR0104310001 334.2108 12.7108 7beta-Hydroxy-lathyrol - 12.7262 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=82.72, tgt=, overall=82.72, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.2064, 8585.693)(334.20944, 1911.78)" 7beta-Hydroxy-lathyrol - 12.7262 FindByFormula - LMPR0104310001 334.2127 12.7262 7beta-Hydroxy-lathyrol - 12.729 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=95.65, tgt=, overall=95.65, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(333.20642, 8673.8)(334.20956, 1941.12)(335.219, 339.945)" 7beta-Hydroxy-lathyrol - 12.729 FindByFormula - LMPR0104310001 334.2126 12.729 7beta-Hydroxy-lathyrol + 10.449333 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=87.59, tgt=, overall=87.59, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22183, 6130.8223)(336.2253, 1581.201)(337.23495, 410.18)(357.20483, 658.98663)(358.198, 83.84)" 7beta-Hydroxy-lathyrol + 10.449333 FindByFormula + LMPR0104310001 334.215 10.449333 7beta-Hydroxy-lathyrol + 10.45821 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=78.15, tgt=, overall=78.15, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22214, 5508.721)(336.22568, 1400.4633)(337.2339, 574.0233)(357.20285, 785.01666)" 7beta-Hydroxy-lathyrol + 10.45821 FindByFormula + LMPR0104310001 334.2146 10.45821 7beta-Hydroxy-lathyrol + 10.5355 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=79.62, tgt=, overall=79.62, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22223, 7389.745)(336.22626, 1906.205)" 7beta-Hydroxy-lathyrol + 10.5355 FindByFormula + LMPR0104310001 334.2151 10.5355 7beta-Hydroxy-lathyrol + 10.5482 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=87.97, tgt=, overall=87.97, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.2221, 5324.7344)(336.2259, 1359.5846)(337.23355, 368.045)(357.2028, 1246.3757)(358.1986, 193.69751)" 7beta-Hydroxy-lathyrol + 10.5482 FindByFormula + LMPR0104310001 334.2149 10.5482 7beta-Hydroxy-lathyrol + 11.813714 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=98.34, tgt=, overall=98.34, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.20367, 13856.886)(358.20767, 3247.3328)(359.2108, 665.02716)(379.1854, 1852.5967)(380.1845, 924.8125)" 7beta-Hydroxy-lathyrol + 11.813714 FindByFormula + LMPR0104310001 356.1969 11.813714 7beta-Hydroxy-lathyrol + 11.817625 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=94.59, tgt=, overall=94.59, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.20255, 16466.262)(358.20602, 3982.8474)(359.2063, 641.5367)(395.1568, 379.36)(379.1861, 3016.1802)(380.189, 1298.4532)" 7beta-Hydroxy-lathyrol + 11.817625 FindByFormula + LMPR0104310001 356.1954 11.817625 7beta-Hydroxy-lathyrol + 11.828249 "7beta-Hydroxy-lathyrol [ C20 H30 O4, mfg=83.88, db=83.84, tgt=, overall=83.86, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22025, 772.8533)(336.22388, 375.10498)(373.1748, 1333.55)(374.1674, 240.31)(357.2038, 5678.445)(358.20944, 1520.0858)(359.2056, 432.63)" 7beta-Hydroxy-lathyrol + 11.828249 FindByFormula + LMPR0104310001 334.2147 11.828249 7beta-Hydroxy-lathyrol + 11.832223 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=94.10, tgt=, overall=94.10, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.2023, 17324.041)(358.20563, 3963.8777)(359.20755, 638.7316)(379.1856, 1998.652)(380.18524, 455.37)" 7beta-Hydroxy-lathyrol + 11.832223 FindByFormula + LMPR0104310001 356.194 11.832223 7beta-Hydroxy-lathyrol + 11.838666 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=98.66, tgt=, overall=98.66, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.20322, 11322.06)(358.20685, 2666.9377)(359.20917, 505.31998)(379.1858, 1752.1167)(380.18677, 818.948)" 7beta-Hydroxy-lathyrol + 11.838666 FindByFormula + LMPR0104310001 356.1958 11.838666 7beta-Hydroxy-lathyrol + 11.880333 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=97.09, tgt=, overall=97.09, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22006, 1038.3334)(336.2211, 295.995)(373.17392, 2081.4817)(374.17297, 556.8925)(357.20312, 17223.742)(358.2064, 4169.856)(359.2062, 647.44)" 7beta-Hydroxy-lathyrol + 11.880333 FindByFormula + LMPR0104310001 334.2126 11.880333 7beta-Hydroxy-lathyrol + 11.918 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=92.29, tgt=, overall=92.29, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.2026, 15641.3)(358.2061, 3740.2542)(359.2019, 542.925)(379.18405, 2653.29)(380.18625, 1023.825)" 7beta-Hydroxy-lathyrol + 11.918 FindByFormula + LMPR0104310001 356.1952 11.918 7beta-Hydroxy-lathyrol + 11.918401 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=81.24, tgt=, overall=81.24, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.21967, 2173.8098)(336.22437, 719.47)(373.17352, 1781.594)(357.20282, 18187.904)(358.2058, 4322.06)" 7beta-Hydroxy-lathyrol + 11.918401 FindByFormula + LMPR0104310001 334.2123 11.918401 7beta-Hydroxy-lathyrol + 12.3057785 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=93.38, tgt=, overall=93.38, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.2035, 5999.6523)(358.20535, 1447.2533)(359.21536, 261.72)(379.18823, 579.405)(380.1833, 177.205)" 7beta-Hydroxy-lathyrol + 12.3057785 FindByFormula + LMPR0104310001 356.1966 12.3057785 7beta-Hydroxy-lathyrol + 12.308667 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=88.00, tgt=, overall=88.00, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.20383, 3316.9968)(358.20572, 846.3933)(359.2149, 231.87999)(379.1856, 295.66)(380.1788, 66.76)" 7beta-Hydroxy-lathyrol + 12.308667 FindByFormula + LMPR0104310001 356.1956 12.308667 7beta-Hydroxy-lathyrol + 12.309285 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=90.52, tgt=, overall=90.52, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22025, 371.065)(336.2237, 81.84)(373.17255, 466.9525)(357.20364, 6430.1147)(358.2075, 1550.3441)(359.2173, 373.985)" 7beta-Hydroxy-lathyrol + 12.309285 FindByFormula + LMPR0104310001 334.2118 12.309285 7beta-Hydroxy-lathyrol + 12.599364 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=98.27, tgt=, overall=98.27, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22144, 2751.093)(336.22226, 834.4467)(337.222, 146.93)(373.1721, 1666.2001)(374.17404, 459.78333)(357.2039, 14456.468)(358.2072, 3424.3147)(359.21405, 394.87)" 7beta-Hydroxy-lathyrol + 12.599364 FindByFormula + LMPR0104310001 334.2135 12.599364 7beta-Hydroxy-lathyrol + 12.6341 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=97.53, tgt=, overall=97.53, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.20334, 8259.994)(358.20712, 1954.472)(359.20453, 273.335)(379.18298, 992.8833)(380.183, 173.02333)" 7beta-Hydroxy-lathyrol + 12.6341 FindByFormula + LMPR0104310001 356.1955 12.6341 7beta-Hydroxy-lathyrol + 12.6368 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=98.94, tgt=, overall=98.94, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.2033, 8018.85)(358.20673, 1891.3682)(359.20844, 224.775)(379.18503, 644.2374)(380.18408, 107.235)" 7beta-Hydroxy-lathyrol + 12.6368 FindByFormula + LMPR0104310001 356.1965 12.6368 7beta-Hydroxy-lathyrol + 12.651 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=97.42, tgt=, overall=97.42, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22076, 2317.08)(336.2198, 622.1075)(373.17267, 1585.9427)(374.1652, 76.8)(357.20355, 10949.761)(358.20657, 2620.056)(359.2056, 148.69)" 7beta-Hydroxy-lathyrol + 12.651 FindByFormula + LMPR0104310001 334.2132 12.651 7beta-Hydroxy-lathyrol + 12.7295 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=95.80, tgt=, overall=95.80, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(357.2031, 8037.435)(358.20654, 1640.28)(359.20032, 182.43)(379.1839, 896.75)(380.1885, 172.44)" 7beta-Hydroxy-lathyrol + 12.7295 FindByFormula + LMPR0104310001 356.1956 12.7295 7beta-Hydroxy-lathyrol + 9.4205 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=96.77, tgt=, overall=96.77, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.2213, 10386.436)(336.22522, 2576.24)(337.23245, 298.54498)" 7beta-Hydroxy-lathyrol + 9.4205 FindByFormula + LMPR0104310001 334.2124 9.4205 7beta-Hydroxy-lathyrol + 9.423 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=92.37, tgt=, overall=92.37, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.2214, 7233.2437)(336.2249, 2078.31)(337.22656, 318.34332)" 7beta-Hydroxy-lathyrol + 9.423 FindByFormula + LMPR0104310001 334.2136 9.423 7beta-Hydroxy-lathyrol + 9.446692 "7beta-Hydroxy-lathyrol [ C20 H30 O4, mfg=89.26, db=89.25, tgt=, overall=89.26, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22174, 6340.8057)(336.22562, 1632.0677)(337.2282, 631.61)(357.20007, 732.61005)(358.20807, 211.84)" 7beta-Hydroxy-lathyrol + 9.446692 FindByFormula + LMPR0104310001 334.2128 9.446692 7beta-Hydroxy-lathyrol + 9.854501 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=69.91, tgt=, overall=69.91, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.2223, 2539.5327)(336.22324, 724.54407)(337.22797, 482.9)" 7beta-Hydroxy-lathyrol + 9.854501 FindByFormula + LMPR0104310001 334.215 9.854501 7beta-Hydroxy-lathyrol + 9.96925 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=78.86, tgt=, overall=78.86, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22183, 2052.7424)(336.22433, 601.68005)(337.23178, 226.52998)" 7beta-Hydroxy-lathyrol + 9.96925 FindByFormula + LMPR0104310001 334.2144 9.96925 7beta-Hydroxy-lathyrol + 9.974999 "7beta-Hydroxy-lathyrol [ C20 H30 O4, db=80.19, tgt=, overall=80.19, Lipid ID=LMPR0104310001, METLIN ID=53680 ]" "(335.22162, 2263.7566)(336.22495, 677.12335)(337.2317, 234.12)" 7beta-Hydroxy-lathyrol + 9.974999 FindByFormula + LMPR0104310001 334.2127 9.974999 7b-Hydroxydehydroepiandrosterone "7b-Hydroxydehydroepiandrosterone [ C19 H28 O3, db=8.23, tgt=, overall=8.23, Lipid ID=LMST02020106, METLIN ID=57836 ]" "(327.194, 16520.193)(327.69617, 6107.9062)(328.2038, 483.86)(653.374, 901.58)(654.373, 376.74)(655.3718, 157.33)(675.3455, 388.21)" 7b-Hydroxydehydroepiandrosterone FindByFormula + LMST02020106 652.3753 1.6589999 "7-Chloro-3,3',4',5,6,8-hexamethoxyflavone" "7-Chloro-3,3',4',5,6,8-hexamethoxyflavone [ C21 H21 Cl O8, db=61.41, tgt=, overall=61.41, CAS ID=, HMP ID=HMDB32658, METLIN ID=88599 ]" "(459.08185, 4601.3057)(460.0849, 1140.4159)(461.0895, 394.362)(481.07266, 1276.73)" "7-Chloro-3,3',4',5,6,8-hexamethoxyflavone" FindByFormula HMDB32658 + 458.0752 1.9743999 "7E,9Z-Dodecadienal" "7E,9Z-Dodecadienal [ C12 H20 O, db=76.36, tgt=, overall=76.36, Lipid ID=LMFA06000158, METLIN ID=46448 ]" "(203.14006, 11930.143)(204.14012, 2086.2673)(205.13737, 268.21)(225.12114, 1733.1702)(226.11768, 242.202)" "7E,9Z-Dodecadienal" FindByFormula + LMFA06000158 202.1323 2.4336 "7E,9Z-Dodecadienal + 1.8575" "7E,9Z-Dodecadienal [ C12 H20 O, db=77.71, tgt=, overall=77.71, Lipid ID=LMFA06000158, METLIN ID=46448 ]" "(203.14014, 25919.66)(204.1394, 3421.48)(205.1419, 1133.57)(225.122, 7956.735)(226.1239, 2049.49)" "7E,9Z-Dodecadienal + 1.8575" FindByFormula + LMFA06000158 202.1326 1.8575 "7E,9Z-Dodecadienal + 1.875" "7E,9Z-Dodecadienal [ C12 H20 O, db=63.31, tgt=, overall=63.31, Lipid ID=LMFA06000158, METLIN ID=46448 ]" "(203.1402, 17404.896)(204.13916, 3337.99)(225.1213, 645.3)(226.1231, 90.45)" "7E,9Z-Dodecadienal + 1.875" FindByFormula + LMFA06000158 202.1324 1.875 "7E,9Z-Dodecadienal + 2.4278753" "7E,9Z-Dodecadienal [ C12 H20 O, db=83.24, tgt=, overall=83.24, Lipid ID=LMFA06000158, METLIN ID=46448 ]" "(203.14026, 8922.6045)(204.14046, 1270.4037)(205.13892, 231.6425)(241.0934, 900.55)(225.12138, 1857.1959)(226.12366, 444.945)" "7E,9Z-Dodecadienal + 2.4278753" FindByFormula + LMFA06000158 202.1331 2.4278753 7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one "7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one [ C19 H18 O4, db=72.29, tgt=, overall=72.29, CAS ID=5219-18-1, KEGG ID=C15051, METLIN ID=70545 ]" 5219-18-1 "(309.11426, 3160.6528)(310.11627, 437.15698)" 7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one FindByFormula - C15051 310.1216 1.4619 7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one + 11.6145 "7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one [ C19 H18 O4, db=99.10, tgt=, overall=99.10, CAS ID=5219-18-1, KEGG ID=C15051, METLIN ID=70545 ]" 5219-18-1 "(311.1269, 16320.074)(312.12994, 3531.575)(313.1318, 1072.65)(349.08423, 1510.04)(350.0829, 405.0)(333.1098, 32589.97)(334.11316, 7363.255)(335.11435, 827.745)" 7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one + 11.6145 FindByFormula + C15051 310.1189 11.6145 "7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside" "7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside [ C24 H26 O9, db=74.00, tgt=, overall=74.00, Lipid ID=LMPK12050339, METLIN ID=47846 ]" "(917.3223, 487.34)(459.1662, 2217.3853)(460.16788, 661.306)" "7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside" FindByFormula + LMPK12050339 458.1542 10.485899 "7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside + 7.0889997" "7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside [ C24 H26 O9, db=54.16, tgt=, overall=54.16, Lipid ID=LMPK12050339, METLIN ID=47846 ]" "(459.1631, 4754.6953)(460.16034, 1198.5549)" "7-Hydroxy-5,4'-dimethoxy-8-methylisoflavone 7-O-rhamnoside + 7.0889997" FindByFormula + LMPK12050339 458.1596 7.0889997 7-Hydroxydesmethylondansetron "7-Hydroxydesmethylondansetron [ C17 H17 N3 O2, db=96.83, tgt=, overall=96.83, CAS ID=110728-64-8, METLIN ID=1649 ]" 110728-64-8 "(657.2224, 164.94499)(318.12048, 15152.684)(319.12338, 2862.0654)(320.12552, 487.25748)(356.07077, 302.57144)(340.09915, 303.56427)" 7-Hydroxydesmethylondansetron FindByFormula + 317.1139 1.1342942 "7-Methyl-1,4,5-naphthalenetriol 4-[xylosyl-(1-6)-glucoside]" "7-Methyl-1,4,5-naphthalenetriol 4-[xylosyl-(1-6)-glucoside] [ C22 H28 O12, db=71.20, tgt=, overall=71.20, CAS ID=, HMP ID=HMDB34909, METLIN ID=90297 ]" "(485.16473, 2627.1614)(486.17017, 796.83563)" "7-Methyl-1,4,5-naphthalenetriol 4-[xylosyl-(1-6)-glucoside]" FindByFormula HMDB34909 + 484.1561 15.9681425 7-O-Methyllicoricidin "7-O-Methyllicoricidin [ C27 H34 O5, db=64.11, tgt=, overall=64.11, Lipid ID=LMPK12080046, METLIN ID=48290 ]" "(461.23047, 6927.685)(462.2328, 3045.025)" 7-O-Methyllicoricidin FindByFormula + LMPK12080046 460.2215 17.5545 "7-Prenyloxy-3',4'-dimethoxyisoflavone" "7-Prenyloxy-3',4'-dimethoxyisoflavone [ C22 H22 O5, db=82.03, tgt=, overall=82.03, Lipid ID=LMPK12050051, METLIN ID=47571 ]" "(365.13885, 1485.4325)(366.14188, 322.74625)" "7-Prenyloxy-3',4'-dimethoxyisoflavone" FindByFormula - LMPK12050051 366.1477 1.8273749 "8,9-dihydroxy-5,11,14-eicosatrienoic acid" "8,9-dihydroxy-5,11,14-eicosatrienoic acid [ C20 H34 O4, db=77.43, tgt=, overall=77.43, METLIN ID=36274 ]" "(361.23392, 2029.2003)(362.23868, 530.79364)" "8,9-dihydroxy-5,11,14-eicosatrienoic acid" FindByFormula + 360.2253 16.24309 800.4209@8.0745 "(801.42163, 5506.175)(802.4231, 2719.935)(803.4206, 1855.52)" 800.4209@8.0745 FindByFormula + 800.4209 8.0745 800.4319@22.5342 "(799.42224, 713.82196)(800.42395, 350.112)" 800.4319@22.5342 FindByFormula - 800.4319 22.5342 800.4438@8.0145 "(799.43164, 2201.115)(800.4328, 825.74)" 800.4438@8.0145 FindByFormula - 800.4438 8.0145 800.4464@9.9048 "(801.4546, 4876.7627)(802.45386, 2373.7773)(803.45215, 731.7325)(839.4066, 540.49)(840.4314, 385.74)(823.43585, 2882.205)(824.44434, 1435.0676)(825.4343, 616.17664)" 800.4464@9.9048 FindByFormula + 800.4464 9.9048 800.4671@17.7045 "(801.473, 1573.005)(802.4748, 698.325)" 800.4671@17.7045 FindByFormula + 800.4671 17.7045 800.4691@22.219181 "(801.4771, 3493.0889)(802.47943, 1823.5754)(803.4834, 768.0664)" 800.4691@22.219181 FindByFormula + 800.4691 22.219181 800.4774@1.117 "(401.2507, 1059.0801)(401.75616, 146.19)(801.4803, 1508.6466)(802.4808, 828.82666)(803.47186, 299.86667)(804.4571, 93.78)(839.4307, 363.44)(823.4614, 833.70496)(824.46265, 479.15997)(825.4718, 161.14)" 800.4774@1.117 FindByFormula + 800.4774 1.117 800.5702@22.580332 "(799.56146, 2684.5334)(800.564, 1242.5701)(801.5649, 440.64)" 800.5702@22.580332 FindByFormula - 800.5702 22.580332 800.5726@22.589666 "(799.56415, 1816.04)(800.5664, 860.8667)(801.5679, 314.83)" 800.5726@22.589666 FindByFormula - 800.5726 22.589666 801.426@1.737 "(800.42084, 1443.245)(801.42505, 583.52)(802.4214, 597.225)" 801.426@1.737 FindByFormula - 801.426 1.737 801.5364@22.002499 "(804.5514, 35198.93)(805.55505, 17654.154)(806.5636, 12672.33)" 801.5364@22.002499 FindByFormula + 801.5364 22.002499 802.4184@8.465 "(803.4242, 5670.39)(804.42413, 2190.915)(805.4244, 420.6)(825.4122, 4991.83)(826.4188, 1975.47)(827.4285, 696.6)" 802.4184@8.465 FindByFormula + 802.4184 8.465 802.4409@6.8879995 "(402.23224, 763.56995)(402.72937, 431.36002)" 802.4409@6.8879995 FindByFormula + 802.4409 6.8879995 803.5427@21.264751 "(804.5497, 1472.7825)(805.55316, 767.53503)(806.5641, 790.88)(807.5698, 320.77002)" 803.5427@21.264751 FindByFormula + 803.5427 21.264751 804.1661@26.5735 "(805.17255, 6705.7803)(806.1747, 2173.24)(807.1682, 518.61)" 804.1661@26.5735 FindByFormula + 804.1661 26.5735 804.3354@6.7784004 "(403.17926, 4686.682)(403.68158, 1930.9199)(404.18192, 950.91394)(805.34296, 72843.14)(806.3485, 29532.213)(807.34973, 12061.266)(808.362, 1972.03)(414.26505, 1639.278)(414.76358, 982.1019)(415.2582, 1151.0)(415.6547, 55.46)(843.2873, 6377.452)(844.29193, 2793.8098)(827.3254, 21454.738)(828.3258, 9528.994)(829.328, 5903.078)(830.32745, 2580.72)" 804.3354@6.7784004 FindByFormula + 804.3354 6.7784004 804.3386@6.7605 "(803.33, 7478.225)(804.3341, 3000.5427)(805.3301, 2401.945)(806.33624, 735.56744)" 804.3386@6.7605 FindByFormula - 804.3386 6.7605 804.3862@20.468666 "(805.389, 3000.26)(806.3985, 1264.8234)(807.39557, 960.59)" 804.3862@20.468666 FindByFormula + 804.3862 20.468666 804.3894@7.9945 "(805.4046, 1707.11)(806.4016, 1078.1799)(807.415, 358.88)" 804.3894@7.9945 FindByFormula + 804.3894 7.9945 804.3991@8.903333 "(805.4017, 3250.9934)(806.4047, 1618.0767)(807.4065, 863.31494)(808.4065, 165.32)(827.4052, 412.06)" 804.3991@8.903333 FindByFormula + 804.3991 8.903333 804.4114@8.382 "(805.4197, 5954.085)(806.4192, 2563.9302)(807.41956, 1225.04)" 804.4114@8.382 FindByFormula + 804.4114 8.382 804.5462@22.014833 "(805.554, 11557.797)(806.563, 11731.569)(807.56903, 5146.0234)" 804.5462@22.014833 FindByFormula + 804.5462 22.014833 804.5482@22.264334 "(805.5547, 11179.446)(806.56445, 7786.107)(807.5689, 3272.9734)" 804.5482@22.264334 FindByFormula + 804.5482 22.264334 805.3192@14.6135 "(806.323, 1799.98)(807.3216, 935.82)" 805.3192@14.6135 FindByFormula + 805.3192 14.6135 805.4231@1.272 "(403.7212, 1974.02)(404.2223, 542.47)(806.4273, 6674.1)(807.42847, 2471.1401)(808.4281, 692.06506)(414.711, 447.78)(415.2192, 129.09)(415.7146, 65.43)(828.4104, 2384.21)(829.3983, 1309.84)" 805.4231@1.272 FindByFormula + 805.4231 1.272 805.5565@20.80525 "(806.5638, 3204.7275)(807.5688, 1801.025)" 805.5565@20.80525 FindByFormula + 805.5565 20.80525 806.0645@20.473999 "(807.0717, 1903.35)(808.0696, 924.2)" 806.0645@20.473999 FindByFormula + 806.0645 20.473999 806.3624@7.252333 "(805.35455, 1184.1133)(806.3576, 491.87332)(807.3631, 330.95)" 806.3624@7.252333 FindByFormula - 806.3624 7.252333 806.4795@6.4925003 "(404.24734, 1029.01)(404.75018, 456.31)" 806.4795@6.4925003 FindByFormula + 806.4795 6.4925003 806.5545@13.6310005 "(805.552, 8300.005)(806.55554, 4541.7075)(807.55664, 1418.3251)(808.5605, 370.3633)" 806.5545@13.6310005 FindByFormula - 806.5545 13.6310005 806.5554@13.6658325 "(805.5511, 8232.794)(806.5547, 4423.697)(807.55524, 1374.8717)" 806.5554@13.6658325 FindByFormula - 806.5554 13.6658325 806.5557@13.622666 "(807.56476, 18160.754)(808.5681, 10830.145)(809.5637, 8498.76)(810.5507, 156.74)(845.5203, 4222.83)(846.5275, 2301.0667)(847.5273, 141.53)(829.55084, 3222.37)(830.5562, 2886.51)(831.5521, 1012.01)" 806.5557@13.622666 FindByFormula + 806.5557 13.622666 806.5601@13.724834 "(807.5667, 20696.523)(808.57074, 12606.528)(809.56793, 8158.3784)(810.5772, 2340.49)(811.5779, 907.08)(845.52155, 3791.0186)(846.5251, 2092.98)(847.5223, 973.9333)(829.5549, 47349.56)(830.55884, 26183.89)(831.5605, 8356.329)" 806.5601@13.724834 FindByFormula + 806.5601 13.724834 807.3276@21.4175 "(808.3336, 4381.67)(809.33594, 1824.015)(810.3454, 703.1)" 807.3276@21.4175 FindByFormula + 807.3276 21.4175 807.5748@21.2695 "(808.58105, 4822.54)(809.5858, 2272.205)(810.5949, 2800.27)(811.6239, 137.73)(833.5786, 994.44)" 807.5748@21.2695 FindByFormula + 807.5748 21.2695 807.579@22.006 "(808.5806, 8603.575)(809.5859, 4118.835)(810.5953, 3546.435)(811.599, 1687.2)(832.0766, 2925.4502)(831.573, 2181.21)(832.5759, 3223.76)(833.5831, 1330.8)(834.5948, 1870.68)" 807.579@22.006 FindByFormula + 807.579 22.006 807.9845@6.886 "(1616.9755, 2537.7734)(1617.9691, 2415.61)(1618.9746, 1411.59)(1638.9559, 2921.4568)(1639.9575, 2566.4065)(1640.9615, 1423.7233)(1641.96, 641.97003)(808.98413, 1778.68)(809.98517, 841.2134)" 807.9845@6.886 FindByFormula + 807.9845 6.886 808.4044@7.8835 "(809.40656, 936.93)(810.39856, 649.12)" 808.4044@7.8835 FindByFormula + 808.4044 7.8835 808.4378@16.000778 "(809.4439, 1935.9922)(810.4481, 1094.4889)(811.44617, 286.51556)" 808.4378@16.000778 FindByFormula + 808.4378 16.000778 808.5801@22.414501 "(809.5875, 6191.32)(810.594, 6070.59)(811.6, 2904.055)(812.59814, 926.205)" 808.5801@22.414501 FindByFormula + 808.5801 22.414501 808.5806@22.0145 "(809.5864, 17149.254)(810.5954, 13877.16)(811.60144, 5463.67)(812.597, 2900.25)" 808.5806@22.0145 FindByFormula + 808.5806 22.0145 808.5807@22.0285 "(809.5871, 16422.76)(810.59503, 13011.785)(811.6034, 5064.7847)(812.6062, 1569.98)" 808.5807@22.0285 FindByFormula + 808.5807 22.0285 808.581@26.542665 "(809.5884, 1160.9633)(810.5948, 1074.3867)" 808.581@26.542665 FindByFormula + 808.581 26.542665 808.583@27.122335 "(809.5887, 2599.6934)(810.59863, 1938.2334)" 808.583@27.122335 FindByFormula + 808.583 27.122335 808.8146@7.079 "(809.8231, 1592.72)(810.8257, 407.865)" 808.8146@7.079 FindByFormula + 808.8146 7.079 808.8162@7.079 "(809.8231, 1592.72)(810.8257, 407.865)" 808.8162@7.079 FindByFormula + 808.8162 7.079 808.8537@26.588501 "(809.85986, 1182.2949)(810.86, 266.58502)" 808.8537@26.588501 FindByFormula + 808.8537 26.588501 808.8543@26.520748 "(809.85956, 1913.7626)(810.8612, 352.33252)" 808.8543@26.520748 FindByFormula + 808.8543 26.520748 809.2631@9.738501 "(810.26904, 2540.8)(811.2635, 1447.97)" 809.2631@9.738501 FindByFormula + 809.2631 9.738501 809.4594@9.701 "(810.46265, 5935.225)(811.47754, 2187.95)(812.4795, 1385.755)" 809.4594@9.701 FindByFormula + 809.4594 9.701 809.5476@16.717539 "(810.5573, 14764.079)(811.5595, 7052.3228)(812.5535, 1813.64)" 809.5476@16.717539 FindByFormula + 809.5476 16.717539 809.5491@16.72028 "(810.5574, 14416.198)(811.5598, 6697.519)(812.56085, 2001.3477)(813.5567, 466.72665)" 809.5491@16.72028 FindByFormula + 809.5491 16.72028 809.5894@22.536001 "(810.5987, 6308.3438)(811.60284, 2725.7566)(812.592, 1177.2267)" 809.5894@22.536001 FindByFormula + 809.5894 22.536001 809.5922@26.5655 "(810.59717, 4216.55)(811.6024, 2393.955)(812.59686, 247.64)(832.58105, 1792.79)" 809.5922@26.5655 FindByFormula + 809.5922 26.5655 810.2049@1.9523333 "(815.2409, 524.13)(833.20264, 3609.093)(834.20557, 1695.7167)(835.2031, 971.15326)" 810.2049@1.9523333 FindByFormula + 810.2049 1.9523333 810.2811@7.1668334 "(811.2873, 12495.2705)(812.2922, 5198.475)(813.2932, 1654.815)(814.2941, 458.43997)" 810.2811@7.1668334 FindByFormula + 810.2811 7.1668334 810.2976@12.4185705 "(406.15628, 1843.7128)(406.6562, 948.9328)(407.1586, 469.19717)(407.6665, 58.73)(811.3069, 69.04)" 810.2976@12.4185705 FindByFormula + 810.2976 12.4185705 810.3115@23.129 "(811.322, 1480.005)(812.32306, 646.48)" 810.3115@23.129 FindByFormula + 810.3115 23.129 810.3902@1.833 "(809.3855, 1980.13)(810.3878, 876.98)" 810.3902@1.833 FindByFormula - 810.3902 1.833 810.3902@2.3071668 "(406.20392, 1496.474)(406.70416, 595.04803)(811.39386, 1159.6449)(812.3953, 404.125)(813.4016, 363.36)(849.3489, 610.875)(833.3741, 2794.7168)(834.3799, 1366.9668)(835.3794, 655.34)" 810.3902@2.3071668 FindByFormula + 810.3902 2.3071668 810.391@2.2615 "(406.2036, 1938.1901)(406.70685, 967.03503)(811.39374, 1655.95)(812.39746, 662.53)" 810.391@2.2615 FindByFormula + 810.391 2.2615 810.4865@8.684 "(809.4808, 1152.485)(810.4765, 479.66998)" 810.4865@8.684 FindByFormula - 810.4865 8.684 810.5364@6.7425 "(809.531, 2462.3398)(810.5332, 1113.0933)" 810.5364@6.7425 FindByFormula - 810.5364 6.7425 810.6495@26.943 "(811.6548, 2187.83)(812.6552, 1312.9233)" 810.6495@26.943 FindByFormula + 810.6495 26.943 811.3072@11.833571 "(406.65897, 4064.9282)(407.15863, 1572.8943)" 811.3072@11.833571 FindByFormula + 811.3072 11.833571 811.3467@24.2514 "(812.35394, 2100.946)(813.359, 1065.774)(814.35736, 329.094)" 811.3467@24.2514 FindByFormula + 811.3467 24.2514 812.3195@7.0175 "(811.3055, 681.53503)(812.31104, 301.16998)" 812.3195@7.0175 FindByFormula - 812.3195 7.0175 812.4844@8.208 "(811.4773, 639.615)(812.47974, 268.84)" 812.4844@8.208 FindByFormula - 812.4844 8.208 812.6738@26.929333 "(813.6812, 5491.7295)(814.6828, 3253.2341)(815.6854, 1256.8127)(816.6927, 306.41125)(851.6426, 1003.6067)(852.6548, 722.055)(835.6632, 3608.5833)(836.66345, 1975.35)(837.6664, 760.6001)" 812.6738@26.929333 FindByFormula + 812.6738 26.929333 813.0471@8.663 "(814.0538, 3282.8484)(815.0576, 1486.8849)(816.05597, 750.658)(836.03723, 3618.6875)(837.03973, 1408.0701)(838.03516, 1169.2275)" 813.0471@8.663 FindByFormula + 813.0471 8.663 813.3331@7.1216664 "(812.33014, 2165.2434)(813.3352, 925.68335)" 813.3331@7.1216664 FindByFormula - 813.3331 7.1216664 813.4722@7.6015 "(407.7434, 1021.78503)(408.24066, 797.81)" 813.4722@7.6015 FindByFormula + 813.4722 7.6015 813.4744@1.7096667 "(407.7459, 1180.38)(408.2415, 803.13)(814.4797, 5649.2)(815.4863, 2200.47)(816.4802, 592.58)(418.7365, 2584.08)(419.2396, 1369.29)(852.42993, 391.93002)(853.4313, 533.59)(836.4634, 8075.47)(837.4611, 3559.8)(838.4587, 1164.5834)" 813.4744@1.7096667 FindByFormula + 813.4744 1.7096667 813.8545@4.6803336 "(814.8628, 50527.637)(815.8642, 9374.967)" 813.8545@4.6803336 FindByFormula + 813.8545 4.6803336 813.8555@4.0413337 "(814.862, 80347.96)(815.8631, 15737.37)" 813.8555@4.0413337 FindByFormula + 813.8555 4.0413337 814.2318@1.1495 "(815.2439, 13451.164)(816.247, 4764.49)(817.2539, 3239.28)(818.25775, 1078.9066)" 814.2318@1.1495 FindByFormula + 814.2318 1.1495 814.5018@29.696 "(815.5091, 1090.4867)(816.509, 605.64)(817.51044, 228.61668)" 814.5018@29.696 FindByFormula + 814.5018 29.696 814.503@16.73091 "(815.5112, 302894.6)(816.51465, 138672.33)(817.5171, 41750.285)(818.51965, 9207.322)(819.52075, 1743.4501)(820.5197, 423.07333)" 814.503@16.73091 FindByFormula + 814.503 16.73091 814.5063@14.963998 "(815.51196, 4138.252)(816.5148, 1909.1681)(817.5144, 611.38135)" 814.5063@14.963998 FindByFormula + 814.5063 14.963998 814.6881@26.996 "(815.69385, 2690.48)(816.7009, 1374.45)" 814.6881@26.996 FindByFormula + 814.6881 26.996 815.2248@16.757666 "(814.2171, 1449.07)(815.21875, 500.41666)" 815.2248@16.757666 FindByFormula - 815.2248 16.757666 815.2761@15.414333 "(816.2827, 1654.3267)(817.2797, 640.0467)" 815.2761@15.414333 FindByFormula + 815.2761 15.414333 815.4009@8.680667 "(814.39014, 1234.0333)(815.3951, 521.63666)" 815.4009@8.680667 FindByFormula - 815.4009 8.680667 815.4229@7.0536666 "(816.43134, 5910.3667)(817.42865, 2891.0166)(818.4308, 652.93)(838.4058, 6957.3)(839.4206, 3009.27)" 815.4229@7.0536666 FindByFormula + 815.4229 7.0536666 815.5174@7.2806664 "(814.50616, 2828.3535)(815.5092, 1241.8833)(816.5117, 407.69003)" 815.5174@7.2806664 FindByFormula - 815.5174 7.2806664 815.5789@22.0378 "(816.5831, 4125.504)(817.58655, 2174.69)(818.58655, 1900.4558)(819.5908, 1235.825)(820.6023, 2172.95)" 815.5789@22.0378 FindByFormula + 815.5789 22.0378 815.6329@25.76225 "(816.6371, 5105.3823)(817.63635, 2460.4102)(818.6433, 830.74744)" 815.6329@25.76225 FindByFormula + 815.6329 25.76225 816.4106@12.415501 "(817.4166, 2620.56)(818.4228, 1522.335)(819.4213, 691.85)" 816.4106@12.415501 FindByFormula + 816.4106 12.415501 816.9308@7.9555 "(1634.8752, 8969.2295)(1635.8804, 8521.35)(1636.8762, 4474.26)(1637.8739, 2261.19)(1638.8666, 441.72)(1672.8475, 1323.38)(1656.8618, 5586.935)(1657.8604, 4496.635)(1658.8599, 2312.71)(1659.8513, 1503.25)(817.94507, 5116.17)(818.93823, 2669.3975)(819.9384, 1610.98)(855.91, 645.77)" 816.9308@7.9555 FindByFormula + 816.9308 7.9555 817.295@17.2805 "(818.30383, 1447.365)(819.30365, 771.735)(820.3074, 332.76)" 817.295@17.2805 FindByFormula + 817.295 17.2805 817.4488@8.271 "(816.441, 4205.1836)(817.4427, 1896.7933)(818.4562, 436.68)" 817.4488@8.271 FindByFormula - 817.4488 8.271 817.4534@8.267 "(816.4518, 2177.025)(817.4514, 906.38)(818.4569, 385.05)" 817.4534@8.267 FindByFormula - 817.4534 8.267 817.4535@7.907 "(816.45, 1086.735)(817.4529, 548.01)(818.45654, 192.795)" 817.4535@7.907 FindByFormula - 817.4535 7.907 817.4555@7.8575 "(816.44916, 2029.7949)(817.44867, 1032.135)(818.4528, 394.95667)" 817.4555@7.8575 FindByFormula - 817.4555 7.8575 8-18 bonded retinal "8-18 bonded retinal [ C20 H26 O, db=86.38, tgt=, overall=86.38, Lipid ID=LMPR01090037, METLIN ID=41528 ]" "(305.1862, 8642.411)(306.1889, 1814.266)(307.1951, 561.85)(327.1672, 1137.0575)(328.17282, 183.20667)" 8-18 bonded retinal FindByFormula + LMPR01090037 304.1775 8.602301 8-18 bonded retinal + 8.5286665 "8-18 bonded retinal [ C20 H26 O, db=78.03, tgt=, overall=78.03, Lipid ID=LMPR01090037, METLIN ID=41528 ]" "(305.18643, 8999.263)(306.18884, 1756.39)(327.1671, 1849.81)(328.1734, 475.74)" 8-18 bonded retinal + 8.5286665 FindByFormula + LMPR01090037 304.1784 8.5286665 8-18 bonded retinal + 8.5612 "8-18 bonded retinal [ C20 H26 O, db=96.29, tgt=, overall=96.29, Lipid ID=LMPR01090037, METLIN ID=41528 ]" "(305.1867, 11038.814)(306.19, 2380.4219)(307.19107, 331.812)(327.1668, 1102.9926)(328.1716, 221.65)" 8-18 bonded retinal + 8.5612 FindByFormula + LMPR01090037 304.1802 8.5612 8-18 bonded retinal + 8.6442 "8-18 bonded retinal [ C20 H26 O, db=93.21, tgt=, overall=93.21, Lipid ID=LMPR01090037, METLIN ID=41528 ]" "(305.1867, 8175.586)(306.19003, 1674.2161)(307.19638, 429.2525)(327.16727, 1511.8534)(328.1726, 411.06)" 8-18 bonded retinal + 8.6442 FindByFormula + LMPR01090037 304.1813 8.6442 818.4567@8.731 "(817.44604, 2107.615)(818.4479, 785.2)" 818.4567@8.731 FindByFormula - 818.4567 8.731 819.0663@8.68675 "(1639.1477, 335.045)(820.0703, 2630.4473)(821.07086, 1043.015)(822.064, 814.3025)(842.0489, 966.4167)(843.0552, 283.64)(844.0392, 512.385)" 819.0663@8.68675 FindByFormula + 819.0663 8.68675 819.0687@8.660999 "(820.07404, 5832.85)(821.08167, 2523.495)(822.0631, 2033.0751)(842.05457, 2350.045)(843.0679, 736.255)(844.0652, 904.57)" 819.0687@8.660999 FindByFormula + 819.0687 8.660999 820.1665@1.958 "(1663.3137, 373.90997)(821.1707, 1623.125)(822.1731, 998.645)(823.16486, 575.35)(843.1645, 1282.67)(844.1515, 368.31)" 820.1665@1.958 FindByFormula + 820.1665 1.958 820.3535@7.1295004 "(819.348, 1297.875)(820.34827, 595.58496)" 820.3535@7.1295004 FindByFormula - 820.3535 7.1295004 820.3793@1.5813333 "(821.3899, 3268.3967)(822.393, 1767.2266)(843.37396, 1258.175)(844.3688, 720.89)" 820.3793@1.5813333 FindByFormula + 820.3793 1.5813333 820.405@8.46475 "(819.3967, 668.955)(820.4014, 339.38)" 820.405@8.46475 FindByFormula - 820.405 8.46475 820.4455@10.0945 "(821.44855, 1631.13)(822.4491, 719.44995)(823.44775, 444.92502)" 820.4455@10.0945 FindByFormula + 820.4455 10.0945 820.5874@25.764252 "(821.59625, 19300.781)(822.6021, 8764.576)(823.6055, 2494.9697)(824.5942, 409.08334)" 820.5874@25.764252 FindByFormula + 820.5874 25.764252 821.4302@8.075 "(822.43567, 2781.6)(823.4325, 1176.8)(824.4297, 475.93)(844.4325, 476.11)" 821.4302@8.075 FindByFormula + 821.4302 8.075 821.4304@7.452 "(822.43524, 5090.38)(823.43616, 2494.925)(824.4431, 810.81)(844.4357, 1275.53)" 821.4304@7.452 FindByFormula + 821.4304 7.452 821.4724@25.44773 "(822.4807, 8164.4453)(823.4856, 4335.2114)(824.489, 1758.0543)(825.4769, 530.7463)" 821.4724@25.44773 FindByFormula + 821.4724 25.44773 821.5271@26.666286 "(823.11, 2279.5957)(824.1131, 880.3586)(825.55505, 2346.15)(825.55493, 1433.59)(826.5639, 1168.87)" 821.5271@26.666286 FindByFormula + 821.5271 26.666286 821.6777@27.278 "(1666.3416, 121.77)(822.68365, 1964.105)(823.67896, 644.505)(824.6835, 502.825)" 821.6777@27.278 FindByFormula + 821.6777 27.278 822.3883@7.3483334 "(821.3853, 2160.82)(822.3903, 909.58)" 822.3883@7.3483334 FindByFormula - 822.3883 7.3483334 822.4343@8.9470005 "(821.4251, 13600.167)(822.4274, 6707.53)(823.4332, 1803.9119)(824.4261, 420.29)" 822.4343@8.9470005 FindByFormula - 822.4343 8.9470005 822.5301@13.6955 "(1646.045, 517.51)(1647.0754, 1258.82)(1648.0876, 868.49)(842.5146, 5860.75)(843.0149, 6276.04)(843.5153, 3826.58)(844.015, 1815.0)(834.5267, 3046.51)(835.0277, 2959.19)(835.5259, 2727.43)(836.0301, 1512.64)(1668.0474, 8232.63)(1669.0518, 8783.68)(1670.0544, 5088.07)(1671.0608, 2821.36)(412.2731, 12841.06)(412.7765, 11257.41)(413.2713, 2830.26)(823.5386, 31397.86)(824.5415, 16979.854)(825.54346, 5291.0737)(826.5441, 4307.95)(861.4986, 1749.73)(862.5001, 688.67)(863.4999, 321.96)(845.5198, 6132.92)(846.5274, 3399.57)(847.5219, 1725.27)" 822.5301@13.6955 FindByFormula + 822.5301 13.6955 822.5329@13.700818 "(1646.0652, 1206.97)(1647.0721, 770.35)(842.5112, 1451.6066)(843.0135, 1597.59)(843.5149, 957.70996)(844.0167, 570.01)(834.5263, 2474.12)(835.0287, 2276.18)(835.5271, 1646.0)(836.032, 869.56)(1668.0516, 1934.86)(1669.0605, 2015.0074)(1670.0735, 2151.67)(1671.0677, 2668.9)(823.5389, 27022.95)(824.54144, 14649.888)(825.5435, 5150.34)(826.55054, 1417.4767)(861.4956, 639.45337)(862.50714, 263.90665)(863.5285, 22.29)(845.52026, 1956.4501)(846.51886, 1230.9733)(847.52057, 545.92334)" 822.5329@13.700818 FindByFormula + 822.5329 13.700818 822.533@13.662 "(1647.0942, 337.15)(842.5137, 276.95)(843.0082, 99.34)(1669.0275, 270.89)(1670.0369, 227.03)(823.5381, 13942.308)(824.54065, 7803.3022)(825.54266, 2609.594)(826.5542, 46.61)(845.5187, 650.77)(846.5191, 146.26)(847.5059, 57.77)" 822.533@13.662 FindByFormula + 822.533 13.662 822.5342@13.692101 "(1646.5781, 909.685)(1647.5708, 770.555)(1648.0796, 455.46)(842.51447, 2048.0999)(843.0207, 1933.0433)(843.51685, 1439.2833)(844.0117, 491.98666)(834.5298, 1265.9067)(835.0301, 1144.8667)(835.5324, 1069.58)(836.0271, 667.33997)(1668.0487, 3584.4668)(1669.0479, 4018.4167)(1670.0576, 2328.06)(1671.0669, 1769.9199)(823.53925, 29865.723)(824.5413, 16228.377)(825.54285, 4765.9453)(826.544, 1886.8966)(861.49414, 655.38007)(862.4998, 464.1133)(863.4873, 308.905)(845.51953, 2936.045)(846.52435, 1727.9366)(847.52594, 751.6367)" 822.5342@13.692101 FindByFormula + 822.5342 13.692101 822.5946@7.3015 "(1646.1884, 1976.915)(1647.1952, 1115.49)(823.6044, 9252.25)(824.5905, 3029.68)(825.5968, 740.56)" 822.5946@7.3015 FindByFormula + 822.5946 7.3015 823.0388@13.594001 "(1686.0406, 531.82996)(824.0452, 7596.783)(825.04767, 1466.2367)(826.0427, 502.25003)" 823.0388@13.594001 FindByFormula + 823.0388 13.594001 823.4602@9.0835 "(824.46326, 5028.7803)(825.46893, 2043.4199)" 823.4602@9.0835 FindByFormula + 823.4602 9.0835 823.5334@26.9825 "(824.54736, 1537.5549)(825.55347, 837.005)(826.55426, 534.49)" 823.5334@26.9825 FindByFormula + 823.5334 26.9825 825.3615@24.732004 "(826.36957, 2564.34)(827.3731, 1053.8772)(828.3716, 441.48715)" 825.3615@24.732004 FindByFormula + 825.3615 24.732004 825.4406@6.751 "(824.43225, 1073.405)(825.432, 424.22998)" 825.4406@6.751 FindByFormula - 825.4406 6.751 825.455@7.1759996 "(413.7346, 226.69)(414.2351, 163.92)(848.4412, 2975.2)(849.4433, 1718.57)" 825.455@7.1759996 FindByFormula + 825.455 7.1759996 825.5575@26.592001 "(826.5725, 1931.06)(827.5814, 887.79004)(848.5401, 2396.6167)(849.54614, 1434.59)(850.5542, 2081.0967)" 825.5575@26.592001 FindByFormula + 825.5575 26.592001 826.1217@13.698001 "(827.1324, 1003.8867)(828.1262, 362.27002)" 826.1217@13.698001 FindByFormula + 826.1217 13.698001 826.3165@6.783 "(414.16663, 2642.6301)(414.66125, 1403.0549)(415.1607, 2074.85)(827.323, 33744.06)(828.32983, 14338.83)(829.32904, 10143.436)(830.32666, 1928.615)(865.27136, 2511.52)(866.265, 1347.88)(849.3085, 3291.875)(850.29395, 1236.0349)(851.2977, 851.855)(852.2778, 315.99)" 826.3165@6.783 FindByFormula + 826.3165 6.783 826.495@8.275 "(861.4539, 251.17)(825.48456, 1010.365)(826.48816, 461.94)" 826.495@8.275 FindByFormula - 826.495 8.275 826.4956@7.003 "(825.485, 1164.405)(826.4879, 628.695)" 826.4956@7.003 FindByFormula - 826.4956 7.003 826.8399@4.0315 "(825.8307, 6749.255)(826.83386, 1475.095)(827.82886, 2428.4)(828.8302, 543.105)" 826.8399@4.0315 FindByFormula - 826.8399 4.0315 826.974@7.6666665 "(414.49414, 2019.6934)(414.99893, 713.4167)" 826.974@7.6666665 FindByFormula + 826.974 7.6666665 827.0869@7.2215996 "(1655.1804, 2890.1611)(1656.1809, 1533.3391)(828.09766, 28487.256)(829.09326, 2886.002)" 827.0869@7.2215996 FindByFormula + 827.0869 7.2215996 827.2666@9.755 "(828.2742, 4896.035)(829.271, 653.315)(830.2743, 545.66003)" 827.2666@9.755 FindByFormula + 827.2666 9.755 827.3761@23.3547 "(826.3688, 854.249)(827.3711, 537.328)" 827.3761@23.3547 FindByFormula - 827.3761 23.3547 827.9531@7.8479996 "(828.9581, 5737.645)(829.957, 3181.325)" 827.9531@7.8479996 FindByFormula + 827.9531 7.8479996 828.4412@8.3665 "(829.4463, 6065.295)(830.4414, 2621.15)" 828.4412@8.3665 FindByFormula + 828.4412 8.3665 828.5158@4.3424997 "(829.5267, 60.36)(830.5072, 28.15)(851.5077, 481.58)(852.5006, 341.32)" 828.5158@4.3424997 FindByFormula + 828.5158 4.3424997 828.5187@17.9435 "(829.52527, 6920.94)(830.53125, 3499.405)" 828.5187@17.9435 FindByFormula + 828.5187 17.9435 828.5192@17.840286 "(829.52673, 4197.2515)(830.5327, 2068.4258)(831.5337, 798.118)" 828.5192@17.840286 FindByFormula + 828.5192 17.840286 828.5213@17.552177 "(829.5258, 4473.468)(830.53046, 2167.3223)(831.53595, 618.66296)(832.5235, 127.4)" 828.5213@17.552177 FindByFormula + 828.5213 17.552177 828.5224@17.575901 "(829.5262, 4703.8696)(830.5311, 2338.9312)(831.535, 834.9145)" 828.5224@17.575901 FindByFormula + 828.5224 17.575901 828.5236@17.849428 "(829.5273, 3966.8364)(830.53375, 1944.9255)(831.53107, 746.72)" 828.5236@17.849428 FindByFormula + 828.5236 17.849428 828.5481@13.73025 "(1658.2943, 1280.604)(1659.0939, 1679.1951)(1660.1034, 1338.215)(1698.079, 946.55)(1699.055, 509.48)(1680.2523, 4182.0815)(1681.2491, 4212.077)(1682.2812, 2897.356)(1683.0884, 1773.125)(1684.064, 955.45496)(829.5543, 35892.13)(830.55835, 19851.014)(831.558, 6374.892)(832.56494, 2629.648)(833.5666, 864.60754)(867.85187, 1110.2883)(868.5182, 822.304)(869.51575, 1087.412)(870.5192, 354.09)(871.52246, 398.09)(851.53577, 14407.13)(852.5389, 7821.7637)(853.5432, 2394.4988)(854.54443, 718.012)" 828.5481@13.73025 FindByFormula + 828.5481 13.73025 828.5488@7.084667 "(415.27756, 2217.0)(415.78064, 908.7066)(416.2827, 61.23)(829.54706, 4722.27)(830.5515, 2502.6765)(831.5478, 889.18335)(851.52435, 3102.4365)(852.5169, 1584.7734)(853.5137, 702.57666)" 828.5488@7.084667 FindByFormula + 828.5488 7.084667 828.8265@4.6981997 "(415.41827, 6181.2505)(415.91974, 1282.15)(416.42047, 303.80597)(829.8334, 63193.836)(830.8364, 13830.58)(831.8337, 7024.9385)(832.83575, 1475.8359)" 828.8265@4.6981997 FindByFormula + 828.8265 4.6981997 828.827@4.0481997 "(415.41867, 9316.15)(415.91968, 1936.26)(416.42184, 603.22003)(829.8333, 101308.72)(830.83545, 22560.2)(831.83215, 11523.334)(832.8347, 3523.8098)" 828.827@4.0481997 FindByFormula + 828.827 4.0481997 828.8274@4.0155 "(415.4192, 575.75)(415.9212, 136.19)(829.8329, 4061.7202)(830.8349, 1023.64)(831.8292, 509.07)" 828.8274@4.0155 FindByFormula + 828.8274 4.0155 828.8279@4.6575003 "(415.41858, 2114.38)(415.9184, 448.21)(416.4215, 74.994995)(829.83374, 26267.72)(830.83734, 5580.33)(831.8341, 2894.255)(832.83765, 596.905)" 828.8279@4.6575003 FindByFormula + 828.8279 4.6575003 829.2326@14.781125 "(830.24335, 1765.7137)(831.24255, 753.1338)(832.2327, 1059.7625)(870.85236, 939.17163)(871.5915, 404.256)(871.5285, 283.79333)(852.23016, 1345.0226)(853.2291, 639.205)(854.22327, 572.8675)" 829.2326@14.781125 FindByFormula + 829.2326 14.781125 829.2351@14.442666 "(830.2417, 2403.7634)(831.2358, 1176.86)(868.2009, 1914.865)(869.202, 863.025)(870.2063, 1022.845)" 829.2351@14.442666 FindByFormula + 829.2351 14.442666 829.4133@8.193001 "(828.41455, 1469.635)(829.4175, 774.585)(830.4169, 271.85)" 829.4133@8.193001 FindByFormula - 829.4133 8.193001 829.4671@7.3093333 "(830.47217, 25010.486)(831.4739, 12124.216)(832.46484, 5436.94)" 829.4671@7.3093333 FindByFormula + 829.4671 7.3093333 829.531@7.3643336 "(828.52216, 3989.784)(829.5247, 1813.1718)(830.5283, 525.592)" 829.531@7.3643336 FindByFormula - 829.531 7.3643336 829.5753@9.2225 "(830.5824, 4987.12)(831.60565, 361.91)" 829.5753@9.2225 FindByFormula + 829.5753 9.2225 830.4334@17.947111 "(831.44006, 5304.049)(832.44226, 2891.4224)(833.4412, 1519.9333)(834.4415, 631.59863)" 830.4334@17.947111 FindByFormula + 830.4334 17.947111 830.4888@6.6134996 "(829.48224, 4788.1406)(830.4853, 2149.5808)(831.4814, 650.4718)" 830.4888@6.6134996 FindByFormula - 830.4888 6.6134996 830.4895@6.616643 "(829.4784, 5313.4556)(830.4813, 2397.7136)(831.47864, 701.966)" 830.4895@6.616643 FindByFormula - 830.4895 6.616643 830.4912@6.63 "(829.4825, 4314.054)(830.48535, 1941.2771)(831.48645, 614.2925)" 830.4912@6.63 FindByFormula - 830.4912 6.63 830.5291@6.957 "(829.5155, 1034.5157)(830.5163, 529.91)" 830.5291@6.957 FindByFormula - 830.5291 6.957 830.585@7.2106004 "(1662.1754, 2201.9978)(1663.1738, 2665.44)(1664.179, 684.256)(831.59357, 7566.8022)(832.59143, 2591.944)(833.59656, 456.45502)" 830.585@7.2106004 FindByFormula + 830.585 7.2106004 830.8932@7.1436667 "(831.90216, 3086.1165)(832.90234, 1543.4834)" 830.8932@7.1436667 FindByFormula + 830.8932 7.1436667 831.3731@7.482 "(832.388, 7571.9404)(833.39886, 3323.835)(834.4021, 1679.785)" 831.3731@7.482 FindByFormula + 831.3731 7.482 831.4867@8.1975 "(830.48035, 1244.015)(831.48303, 656.07)" 831.4867@8.1975 FindByFormula - 831.4867 8.1975 831.5701@22.21725 "(832.5769, 6820.6797)(833.58276, 3149.3)(834.5821, 1226.135)(870.5446, 210.02)(856.06323, 1160.955)(856.57495, 889.82)(856.5664, 2642.71)(857.5774, 1005.33)" 831.5701@22.21725 FindByFormula + 831.5701 22.21725 831.8289@4.6876664 "(832.8361, 2430.8467)(833.8349, 820.47)" 831.8289@4.6876664 FindByFormula + 831.8289 4.6876664 832.1445@13.628001 "(833.1485, 1056.8168)(834.15094, 346.88998)(835.14307, 323.85)(855.1409, 382.46)" 832.1445@13.628001 FindByFormula + 832.1445 13.628001 832.3491@8.9915 "(833.3564, 5029.235)(834.3583, 2520.575)(835.364, 1530.2949)" 832.3491@8.9915 FindByFormula + 832.3491 8.9915 832.3652@2.2894 "(833.37646, 2164.322)(834.3766, 1046.344)(855.35754, 1143.0425)(856.35864, 807.5967)" 832.3652@2.2894 FindByFormula + 832.3652 2.2894 833.5037@8.41425 "(832.4968, 3103.36)(833.4976, 1429.2275)(834.49835, 455.5575)" 833.5037@8.41425 FindByFormula - 833.5037 8.41425 834.2471@22.4 "(835.2521, 1803.7999)(836.255, 881.68005)(837.2571, 376.63)" 834.2471@22.4 FindByFormula + 834.2471 22.4 834.41@8.112499 "(835.42126, 343.035)(836.4263, 189.045)" 834.41@8.112499 FindByFormula + 834.41 8.112499 834.4151@8.763 "(835.4203, 8527.44)(836.4238, 3823.29)(857.4087, 4068.425)(858.4075, 2000.275)" 834.4151@8.763 FindByFormula + 834.4151 8.763 834.438@8.313499 "(833.4287, 2354.845)(834.43445, 885.645)(835.427, 461.885)" 834.438@8.313499 FindByFormula - 834.438 8.313499 834.4859@2.2965002 "(835.4923, 186.075)(836.5017, 100.67)(857.4701, 364.05)(858.481, 281.36)" 834.4859@2.2965002 FindByFormula + 834.4859 2.2965002 834.4906@16.008001 "(835.50055, 2236.5)(836.50586, 998.10333)(837.49896, 477.12997)" 834.4906@16.008001 FindByFormula + 834.4906 16.008001 834.5042@1.1757272 "(418.25815, 1415.1901)(418.75537, 342.16666)(419.25723, 416.22668)(440.2426, 771.725)(440.74854, 160.94)(835.514, 2106.511)(836.5133, 964.35803)(837.5057, 763.52)(873.47217, 255.52)(857.4868, 555.7934)(858.4922, 450.28662)" 834.5042@1.1757272 FindByFormula + 834.5042 1.1757272 835.3887@9.139 "(834.3812, 3110.845)(835.3866, 1524.01)(836.39136, 458.225)" 835.3887@9.139 FindByFormula - 835.3887 9.139 835.5278@22.177 "(836.5344, 2253.285)(837.54456, 843.63)(838.53577, 309.87)" 835.5278@22.177 FindByFormula + 835.5278 22.177 835.8728@9.717 "(836.881, 7902.42)(837.8827, 2166.045)(838.8889, 1464.49)" 835.8728@9.717 FindByFormula + 835.8728 9.717 836.4159@8.4935 "(835.4073, 1182.6951)(836.4095, 608.39)" 836.4159@8.4935 FindByFormula - 836.4159 8.4935 836.4476@1.5416666 "(419.23044, 1185.32)(419.73093, 541.3133)(859.4347, 834.83)" 836.4476@1.5416666 FindByFormula + 836.4476 1.5416666 836.5319@14.827 "(835.5262, 742.65)(836.5287, 354.45502)" 836.5319@14.827 FindByFormula - 836.5319 14.827 836.5864@23.159332 "(837.591, 11754.264)(838.595, 5402.319)(839.5976, 1515.8689)(840.5894, 508.75833)" 836.5864@23.159332 FindByFormula + 836.5864 23.159332 837.3935@9.7305 "(838.402, 1929.33)(839.4077, 716.42004)(840.4038, 802.95)(860.3835, 4349.065)(861.3873, 1698.9299)(862.38776, 997.48)" 837.3935@9.7305 FindByFormula + 837.3935 9.7305 837.829@26.54784 "(838.8375, 6479.404)(839.83844, 879.52325)(840.8382, 415.51083)" 837.829@26.54784 FindByFormula + 837.829 26.54784 837.8296@22.194 "(838.8373, 1682.6024)(839.8344, 429.64)" 837.8296@22.194 FindByFormula + 837.8296 22.194 837.8311@26.544703 "(838.8378, 6462.298)(839.8395, 904.2815)(840.83777, 406.84744)" 837.8311@26.544703 FindByFormula + 837.8311 26.544703 838.5623@18.781 "(839.5697, 5713.985)(840.5729, 2981.5376)(841.5769, 1090.67)(842.5849, 485.53)" 838.5623@18.781 FindByFormula + 838.5623 18.781 839.5267@8.087001 "(838.5196, 1206.7833)(839.52203, 565.20166)" 839.5267@8.087001 FindByFormula - 839.5267 8.087001 840.3261@24.255 "(841.33057, 2785.6824)(842.33307, 1209.8075)(843.3358, 386.6075)" 840.3261@24.255 FindByFormula + 840.3261 24.255 840.4456@1.5645 "(841.447, 642.56)(842.4475, 477.735)" 840.4456@1.5645 FindByFormula + 840.4456 1.5645 840.5106@8.508332 "(839.503, 2615.9065)(840.50433, 1313.3367)" 840.5106@8.508332 FindByFormula - 840.5106 8.508332 840.5515@6.856 "(839.54083, 1326.014)(840.5436, 656.016)" 840.5515@6.856 FindByFormula - 840.5515 6.856 842.2813@6.783 "(422.1521, 8841.245)(422.65308, 3546.94)(423.15436, 2058.145)(843.2917, 9351.22)(844.28723, 3581.78)(845.28845, 2520.1099)(441.12518, 997.03)(441.63574, 194.23001)(442.1283, 492.83)(881.2385, 1200.83)(882.2601, 168.4)(865.2744, 2468.065)(866.2732, 1721.27)(867.25903, 887.21497)" 842.2813@6.783 FindByFormula + 842.2813 6.783 842.6333@14.912 "(422.32358, 1842.6367)(422.8287, 147.78001)(423.32825, 590.7233)" 842.6333@14.912 FindByFormula + 842.6333 14.912 843.0737@1.9745 "(844.0818, 894.37)(845.08704, 623.845)" 843.0737@1.9745 FindByFormula + 843.0737 1.9745 843.1317@16.0975 "(844.1395, 420.925)(845.1487, 148.23001)(846.14185, 124.535)" 843.1317@16.0975 FindByFormula + 843.1317 16.0975 843.5088@7.3725 "(842.5017, 1535.885)(843.5001, 658.405)" 843.5088@7.3725 FindByFormula - 843.5088 7.3725 844.1127@17.549334 "(845.1245, 898.9367)(846.1316, 513.25)" 844.1127@17.549334 FindByFormula + 844.1127 17.549334 844.1231@16.7365 "(845.131, 549.97)(846.1363, 238.825)" 844.1231@16.7365 FindByFormula + 844.1231 16.7365 844.422@7.685 "(845.4292, 4440.795)(846.4292, 1697.625)" 844.422@7.685 FindByFormula + 844.422 7.685 844.4951@22.065 "(845.5054, 4636.3804)(846.5103, 2664.3835)(847.5139, 1081.4432)" 844.4951@22.065 FindByFormula + 844.4951 22.065 844.4986@7.632 "(843.49286, 17167.096)(844.4955, 7894.8174)(845.4939, 1221.925)(846.4924, 520.72)" 844.4986@7.632 FindByFormula - 844.4986 7.632 844.501@7.6264997 "(423.25894, 5133.228)(423.76297, 2199.1382)(424.25537, 814.09393)(845.5071, 12356.878)(846.5109, 5839.1797)(847.5049, 1757.3983)(848.509, 372.64)(867.4849, 10654.962)(868.4821, 4636.888)(869.4805, 1213.1533)" 844.501@7.6264997 FindByFormula + 844.501 7.6264997 844.5031@7.638409 "(843.4971, 15725.728)(844.49927, 7107.8174)(845.5011, 2038.7285)(846.5034, 499.2332)" 844.5031@7.638409 FindByFormula - 844.5031 7.638409 844.5154@15.597935 "(845.5222, 3246.932)(846.5255, 1559.4434)(847.5283, 615.996)" 844.5154@15.597935 FindByFormula + 844.5154 15.597935 844.7906@1.972 "(845.80066, 7201.315)(846.80383, 1783.505)(847.79846, 572.94)" 844.7906@1.972 FindByFormula + 844.7906 1.972 844.889@7.824 "(845.8922, 899.55)(846.9117, 751.795)" 844.889@7.824 FindByFormula + 844.889 7.824 846.1126@13.597 "(847.121, 1452.96)(848.1194, 888.995)(849.1167, 586.28)" 846.1126@13.597 FindByFormula + 846.1126 13.597 846.4424@8.525801 "(847.4484, 5079.706)(848.4496, 1700.5559)(849.44586, 598.37665)(869.4341, 4378.05)(870.431, 1336.75)(871.4517, 1211.03)" 846.4424@8.525801 FindByFormula + 846.4424 8.525801 846.5179@11.600333 "(845.5109, 1649.5865)(846.5158, 787.23334)" 846.5179@11.600333 FindByFormula - 846.5179 11.600333 847.423@7.9455004 "(848.42523, 733.615)(849.4258, 426.945)" 847.423@7.9455004 FindByFormula + 847.423 7.9455004 847.4246@6.644 "(848.4258, 2463.22)(849.42926, 1750.06)(870.4143, 2274.635)(871.40594, 1300.225)" 847.4246@6.644 FindByFormula + 847.4246 6.644 847.4695@14.6995 "(848.476, 2339.19)(848.9827, 508.8)(849.4722, 1572.33)(424.7432, 1809.78)(425.24432, 843.43005)(425.7504, 526.085)(848.4681, 2511.76)(849.469, 1358.17)(850.4834, 963.02)(870.4525, 1406.4)(871.45886, 725.04504)" 847.4695@14.6995 FindByFormula + 847.4695 14.6995 848.0839@9.761 "(849.08936, 2351.045)(850.10144, 1351.2)" 848.0839@9.761 FindByFormula + 848.0839 9.761 848.2541@26.608288 "(849.25964, 1705.247)(850.2637, 614.9257)(851.2496, 346.66998)" 848.2541@26.608288 FindByFormula + 848.2541 26.608288 848.4244@9.024333 "(849.4316, 3058.4768)(850.4414, 1551.1967)(851.4261, 1134.51)" 848.4244@9.024333 FindByFormula + 848.4244 9.024333 848.4329@7.4560003 "(849.44464, 3523.9548)(850.45215, 1467.645)" 848.4329@7.4560003 FindByFormula + 848.4329 7.4560003 848.4354@8.4115 "(849.4422, 7240.12)(850.4431, 2831.58)(851.4319, 813.52)" 848.4354@8.4115 FindByFormula + 848.4354 8.4115 849.5452@22.249556 "(850.552, 8916.234)(851.5574, 4395.181)(852.5599, 1469.0646)(853.5637, 529.085)(872.7654, 2447.5278)(873.7977, 1011.625)(874.5503, 1637.0751)(875.5679, 577.95)" 849.5452@22.249556 FindByFormula + 849.5452 22.249556 850.5264@6.8494997 "(873.5127, 19344.89)(874.5147, 10480.13)(875.5133, 3525.69)" 850.5264@6.8494997 FindByFormula + 850.5264 6.8494997 850.5313@7.18375 "(849.52625, 1187.4475)(850.5244, 601.98254)" 850.5313@7.18375 FindByFormula - 850.5313 7.18375 850.5322@13.730666 "(851.5362, 18136.03)(852.54, 9870.861)(853.54346, 3089.6848)" 850.5322@13.730666 FindByFormula + 850.5322 13.730666 850.5503@26.6336 "(851.5588, 2776.938)(852.56036, 1202.488)(853.5594, 426.792)" 850.5503@26.6336 FindByFormula + 850.5503 26.6336 850.5517@22.4105 "(851.5563, 6966.605)(852.5613, 2517.99)(853.56934, 661.23)" 850.5517@22.4105 FindByFormula + 850.5517 22.4105 850.5526@22.076887 "(851.5575, 10253.791)(852.5608, 3372.8167)(853.56665, 677.4845)" 850.5526@22.076887 FindByFormula + 850.5526 22.076887 850.5543@20.775 "(851.5591, 2966.975)(852.56116, 1272.335)(853.56885, 334.62)" 850.5543@20.775 FindByFormula + 850.5543 20.775 850.5543@22.04789 "(851.55774, 11953.308)(852.5614, 3950.1333)(853.5678, 945.07446)" 850.5543@22.04789 FindByFormula + 850.5543 22.04789 850.6268@15.76675 "(426.3203, 4049.9524)(426.8242, 316.6675)(427.32007, 1153.815)" 850.6268@15.76675 FindByFormula + 850.6268 15.76675 851.3118@9.99 "(852.3219, 4170.0703)(853.3224, 2392.795)(854.3212, 631.68)(890.2705, 1759.2251)(891.2644, 915.20996)(874.30347, 6763.45)(875.3085, 3389.125)(876.30273, 1056.5701)" 851.3118@9.99 FindByFormula + 851.3118 9.99 851.4856@7.191667 "(850.48145, 1210.5433)(851.4819, 494.87332)" 851.4856@7.191667 FindByFormula - 851.4856 7.191667 852.1831@27.131998 "(853.1872, 554.76337)(854.1906, 206.43335)" 852.1831@27.131998 FindByFormula + 852.1831 27.131998 852.4211@9.5265 "(853.42755, 2803.135)(854.42993, 1525.415)" 852.4211@9.5265 FindByFormula + 852.4211 9.5265 852.4571@15.934 "(853.4673, 1123.815)(854.47406, 634.195)(855.4768, 315.01)" 852.4571@15.934 FindByFormula + 852.4571 15.934 852.4616@15.870286 "(853.4688, 1826.7957)(854.47284, 931.89716)(855.47815, 450.60715)" 852.4616@15.870286 FindByFormula + 852.4616 15.870286 852.5787@20.2166 "(853.5845, 5101.1797)(854.58484, 2285.772)(855.5762, 573.93)" 852.5787@20.2166 FindByFormula + 852.5787 20.2166 853.4748@7.003 "(884.4487, 1034.365)(884.947, 446.46)(885.4554, 434.18)(427.7445, 4692.4233)(428.24643, 2323.0667)(428.74, 309.68)(854.4671, 4378.8804)(855.4622, 2291.55)(856.4718, 878.28)" 853.4748@7.003 FindByFormula + 853.4748 7.003 853.5714@16.637766 "(854.58185, 9970.538)(855.58295, 4892.0693)(856.5854, 1522.9795)(857.5849, 518.9128)" 853.5714@16.637766 FindByFormula + 853.5714 16.637766 853.5768@16.63248 "(854.58185, 8361.674)(855.5832, 4061.233)(856.5888, 1102.4767)(857.5919, 486.42)" 853.5768@16.63248 FindByFormula + 853.5768 16.63248 853.8064@26.554667 "(854.81146, 1302.1383)(855.8164, 378.37332)" 853.8064@26.554667 FindByFormula + 853.8064 26.554667 854.5534@15.991 "(855.56134, 6288.0938)(856.5657, 3000.7634)(857.5564, 1381.2067)" 854.5534@15.991 FindByFormula + 854.5534 15.991 855.2018@14.758667 "(856.20087, 461.52)(857.19977, 365.32666)(878.18634, 985.7233)(879.1902, 262.88998)(880.1838, 384.54996)" 855.2018@14.758667 FindByFormula + 855.2018 14.758667 855.4015@7.0766997 "(854.3955, 14644.597)(855.3988, 6472.702)" 855.4015@7.0766997 FindByFormula - 855.4015 7.0766997 855.4027@7.041 "(856.4157, 7865.46)(857.4417, 2113.88)(894.3624, 7182.95)(895.3688, 3369.0176)" 855.4027@7.041 FindByFormula + 855.4027 7.041 855.403@7.075768 "(854.39606, 11579.146)(855.39996, 5142.226)(856.4041, 2145.4988)(857.414, 597.89996)" 855.403@7.075768 FindByFormula - 855.403 7.075768 855.4813@8.406 "(856.4863, 40456.055)(857.48517, 19426.219)(858.48, 4921.225)(878.47327, 38355.63)(879.47, 17846.336)(880.46405, 5726.14)" 855.4813@8.406 FindByFormula + 855.4813 8.406 855.5267@15.3619995 "(428.77368, 1723.1)(429.28198, 804.08)(856.532, 4873.465)(857.5367, 2854.775)(858.5355, 1067.28)(878.51685, 2168.3599)(879.5171, 1215.3)" 855.5267@15.3619995 FindByFormula + 855.5267 15.3619995 856.206@1.9430001 "(857.2202, 1185.5)(879.1935, 3236.965)(880.18945, 2309.02)(881.19116, 1528.13)" 856.206@1.9430001 FindByFormula + 856.206 1.9430001 856.4344@7.8215 "(855.4287, 554.68)(856.4303, 256.18)" 856.4344@7.8215 FindByFormula - 856.4344 7.8215 856.4673@7.1809998 "(855.4607, 1497.265)(856.4634, 965.27)" 856.4673@7.1809998 FindByFormula - 856.4673 7.1809998 856.477@24.695248 "(857.4706, 779.7)(858.491, 362.98)(879.468, 3676.1274)(880.4741, 1919.9675)(881.4828, 704.495)" 856.477@24.695248 FindByFormula + 856.477 24.695248 856.536@1.96925 "(429.2758, 2855.8167)(429.77896, 1315.2333)(430.272, 1853.0734)(857.5445, 5513.9824)(858.54785, 3295.0833)(859.544, 1169.3334)(860.5388, 431.09)(440.2615, 1047.4)(440.75897, 225.04001)(895.4935, 1226.9551)(896.48724, 629.705)(879.5265, 4459.6)(880.52765, 2133.8975)(881.52484, 775.4675)(882.5211, 334.67502)" 856.536@1.96925 FindByFormula + 856.536 1.96925 856.5383@1.9624999 "(429.27124, 808.02)(429.7776, 395.02502)(430.2851, 395.27)(857.54285, 3893.221)(858.5454, 1915.4244)(859.54346, 1169.4141)(879.5275, 2341.8433)(880.5301, 1069.5243)(881.52045, 226.72334)" 856.5383@1.9624999 FindByFormula + 856.5383 1.9624999 856.5411@1.9760001 "(429.27692, 4052.245)(429.77795, 1768.88)(430.2665, 218.73)(857.5454, 10102.596)(858.5481, 4463.685)(859.5479, 2668.65)(879.52765, 7404.98)(880.5316, 3446.7952)(881.523, 524.62)" 856.5411@1.9760001 FindByFormula + 856.5411 1.9760001 856.5412@1.758 "(855.5351, 1205.54)(856.5388, 571.305)" 856.5412@1.758 FindByFormula - 856.5412 1.758 856.5417@2.1935 "(429.278, 1092.39)(429.7778, 575.70496)(857.5421, 2039.25)(858.5445, 1111.93)(859.5495, 320.37)(879.52234, 1079.7)(880.52386, 603.01)" 856.5417@2.1935 FindByFormula + 856.5417 2.1935 856.5436@1.0699999 "(895.4933, 240.49)(896.4936, 157.71)(879.5307, 177.04)(880.5276, 101.56)" 856.5436@1.0699999 FindByFormula + 856.5436 1.0699999 856.5523@7.506 "(855.5386, 1288.595)(856.54034, 673.5925)" 856.5523@7.506 FindByFormula - 856.5523 7.506 856.5698@24.353626 "(857.57764, 7094.1816)(858.5812, 3636.2466)(859.597, 1218.8582)(860.603, 402.91797)(879.5569, 518.66)" 856.5698@24.353626 FindByFormula + 856.5698 24.353626 858.5301@16.639063 "(859.53784, 179782.45)(860.5411, 88887.97)(861.5428, 25497.684)(862.54517, 6050.5664)(863.5465, 1241.8062)(864.5546, 228.85713)" 858.5301@16.639063 FindByFormula + 858.5301 16.639063 858.5304@16.638227 "(859.53796, 182092.77)(860.5412, 90044.33)(861.5437, 27621.3)(862.5464, 6558.0103)(863.5477, 1691.6078)(864.5503, 477.4875)" 858.5304@16.638227 FindByFormula + 858.5304 16.638227 858.5323@16.639 "(859.53906, 186026.53)(860.5424, 92019.85)(861.5443, 29370.566)(862.5472, 6968.6704)(863.5428, 839.478)(864.5454, 302.7)" 858.5323@16.639 FindByFormula + 858.5323 16.639 858.5331@14.9030485 "(859.53894, 3910.9019)(860.5421, 1993.891)(861.54156, 697.1447)(862.54535, 172.82666)" 858.5331@14.9030485 FindByFormula + 858.5331 14.9030485 858.5949@27.213501 "(859.60406, 10745.721)(860.6088, 6054.9277)(861.6114, 1967.8203)(862.6183, 611.8638)" 858.5949@27.213501 FindByFormula + 858.5949 27.213501 858.5975@26.002857 "(859.60504, 5641.3047)(860.60834, 3309.8828)(861.6136, 1225.5529)(862.615, 357.43)" 858.5975@26.002857 FindByFormula + 858.5975 26.002857 858.7616@15.591499 "(430.38785, 972.115)(430.88702, 276.9)(431.3909, 336.07)" 858.7616@15.591499 FindByFormula + 858.7616 15.591499 858.8424@4.0810003 "(859.84973, 1494.57)(860.8507, 513.125)(861.8443, 247.725)" 858.8424@4.0810003 FindByFormula + 858.8424 4.0810003 858.8515@4.04475 "(857.8423, 4054.7974)(858.84503, 898.56757)" 858.8515@4.04475 FindByFormula - 858.8515 4.04475 858.854@4.0695 "(857.8467, 4606.635)(858.85034, 1033.06)" 858.854@4.0695 FindByFormula - 858.854 4.0695 858.8582@4.6853333 "(857.84326, 4773.7666)(858.8455, 1115.05)" 858.8582@4.6853333 FindByFormula - 858.8582 4.6853333 859.3391@9.711 "(882.3274, 5111.595)(883.32446, 2781.25)(884.33826, 1209.12)" 859.3391@9.711 FindByFormula + 859.3391 9.711 859.3715@9.7305 "(860.3832, 4450.1953)(861.3854, 1795.6399)(862.38824, 827.51)" 859.3715@9.7305 FindByFormula + 859.3715 9.7305 859.4516@7.8103333 "(858.44635, 1297.12)(859.4438, 566.49335)" 859.4516@7.8103333 FindByFormula - 859.4516 7.8103333 859.5219@8.160801 "(860.5283, 11865.924)(861.5301, 5986.372)(862.5252, 2517.676)" 859.5219@8.160801 FindByFormula + 859.5219 8.160801 860.1161@16.886002 "(861.1227, 959.51)(862.12195, 392.16)(863.12524, 146.2)" 860.1161@16.886002 FindByFormula + 860.1161 16.886002 860.895@8.304501 "(861.89954, 3913.53)(862.91113, 2054.4949)" 860.895@8.304501 FindByFormula + 860.895 8.304501 861.0865@8.389333 "(862.094, 8762.146)(863.0864, 2192.3066)" 861.0865@8.389333 FindByFormula + 861.0865 8.389333 861.4112@6.6975 "(860.4087, 1299.13)(861.4104, 537.895)" 861.4112@6.6975 FindByFormula - 861.4112 6.6975 861.9391@7.7295 "(862.9415, 1545.375)(863.94604, 1353.3099)" 861.9391@7.7295 FindByFormula + 861.9391 7.7295 862.2413@21.009998 "(863.2439, 1116.88)(864.24756, 729.11)" 862.2413@21.009998 FindByFormula + 862.2413 21.009998 862.5529@26.608 "(861.54443, 375.75)(862.5482, 232.13501)(863.5575, 266.1)" 862.5529@26.608 FindByFormula - 862.5529 26.608 863.4865@1.12625 "(864.4911, 2225.9976)(865.4935, 1118.865)" 863.4865@1.12625 FindByFormula + 863.4865 1.12625 863.5133@7.829333 "(862.50555, 1472.2233)(863.51025, 714.5267)" 863.5133@7.829333 FindByFormula - 863.5133 7.829333 864.4265@7.8575 "(865.42804, 2330.0151)(866.4304, 1287.81)" 864.4265@7.8575 FindByFormula + 864.4265 7.8575 864.5388@13.0015 "(865.54846, 694.735)(866.54816, 325.58002)(867.5502, 219.91998)" 864.5388@13.0015 FindByFormula + 864.5388 13.0015 865.4922@7.1785 "(434.2523, 372.65)(904.4568, 9706.15)(905.45984, 4434.17)" 865.4922@7.1785 FindByFormula + 865.4922 7.1785 865.6216@25.71225 "(866.6286, 9526.473)(867.6356, 2736.2588)" 865.6216@25.71225 FindByFormula + 865.6216 25.71225 866.3545@20.491001 "(867.3616, 4011.81)(868.36444, 2034.185)(869.3707, 953.99)" 866.3545@20.491001 FindByFormula + 866.3545 20.491001 866.4554@7.642111 "(865.447, 2167.0444)(866.4514, 1073.549)(867.4566, 336.43555)" 866.4554@7.642111 FindByFormula - 866.4554 7.642111 866.5956@21.6985 "(867.60254, 2891.775)(868.6028, 1134.875)(869.60986, 637.235)" 866.5956@21.6985 FindByFormula + 866.5956 21.6985 867.1092@7.073 "(868.11096, 247.88998)(869.10535, 183.055)" 867.1092@7.073 FindByFormula + 867.1092 7.073 868.4335@8.2395 "(869.4364, 2262.7)(870.445, 1216.965)" 868.4335@8.2395 FindByFormula + 868.4335 8.2395 868.4974@8.026856 "(867.4954, 1316.0614)(868.49713, 669.20715)" 868.4974@8.026856 FindByFormula - 868.4974 8.026856 868.5184@13.712 "(867.51996, 1646.28)(868.52356, 862.735)" 868.5184@13.712 FindByFormula - 868.5184 13.712 868.575@17.293833 "(869.5805, 4143.445)(870.5806, 2234.4148)(871.587, 890.7883)" 868.575@17.293833 FindByFormula + 868.575 17.293833 869.1895@1.9345 "(870.1952, 3550.965)(871.21295, 2944.63)(872.2173, 1579.13)" 869.1895@1.9345 FindByFormula + 869.1895 1.9345 869.4232@7.4103994 "(868.411, 4824.0615)(869.41583, 2212.5662)(870.42316, 859.54913)(871.42065, 276.54553)" 869.4232@7.4103994 FindByFormula - 869.4232 7.4103994 869.4235@7.4777503 "(868.41675, 6324.6074)(869.41925, 2931.4424)(870.42236, 1522.875)(871.428, 425.375)" 869.4235@7.4777503 FindByFormula - 869.4235 7.4777503 870.1182@7.201 "(436.0724, 2143.07)(436.5742, 556.76)(871.1231, 26600.09)(872.12805, 5802.5303)(893.0934, 439.8)" 870.1182@7.201 FindByFormula + 870.1182 7.201 870.4971@7.929 "(436.25964, 8559.085)(436.76096, 3843.46)(437.2516, 755.18494)(871.5066, 17108.336)(872.5022, 7454.69)(873.4961, 2442.3599)" 870.4971@7.929 FindByFormula + 870.4971 7.929 870.4973@7.9435 "(869.489, 1367.1799)(870.489, 712.57)" 870.4973@7.9435 FindByFormula - 870.4973 7.9435 871.1774@14.877666 "(872.1863, 285.71002)(873.1718, 22.37)(894.169, 683.9167)(895.1701, 300.66333)" 871.1774@14.877666 FindByFormula + 871.1774 14.877666 871.5318@26.602001 "(872.5383, 1904.395)(873.55, 765.80505)(874.5537, 1225.905)" 871.5318@26.602001 FindByFormula + 871.5318 26.602001 872.4142@9.022499 "(871.4088, 2422.35)(872.412, 1111.6749)" 872.4142@9.022499 FindByFormula - 872.4142 9.022499 872.4875@6.831333 "(874.4803, 71.82)(437.25446, 2633.565)(437.75385, 1143.8)(873.50525, 5768.6553)(874.49866, 3834.5151)(875.4866, 1981.405)" 872.4875@6.831333 FindByFormula + 872.4875 6.831333 872.5065@6.8314447 "(437.26297, 9423.646)(437.76282, 4513.8687)(438.26016, 1814.11)(438.76324, 738.025)(459.2486, 5731.5522)(459.7476, 1925.4851)(460.2445, 1523.3501)(460.74442, 426.19336)(873.51245, 16555.326)(874.51245, 7640.868)(875.51074, 2847.4165)(876.517, 942.64)(456.2432, 2977.43)(456.7412, 825.89)(448.2518, 4225.607)(448.7506, 1896.7601)(449.25568, 973.758)(449.7616, 124.520004)(467.2351, 1717.7)(467.7199, 314.32)(468.2324, 816.47)(895.4912, 7952.098)(896.4873, 3454.5142)(897.4921, 1668.5635)(898.4902, 627.17)" 872.5065@6.8314447 FindByFormula + 872.5065 6.8314447 873.2967@9.9865 "(874.3041, 5198.875)(875.3092, 2626.5698)(876.3172, 1296.105)" 873.2967@9.9865 FindByFormula + 873.2967 9.9865 873.4813@7.1136665 "(872.47723, 8306.437)(873.48065, 3863.1035)(874.4815, 1085.3367)" 873.4813@7.1136665 FindByFormula - 873.4813 7.1136665 873.4873@7.1128 "(913.25555, 1330.346)(912.9342, 345.94)(913.459, 398.36)(437.75415, 3354.2554)(438.2499, 1637.7197)(438.7534, 589.3982)(459.73972, 2016.7001)(460.244, 1088.2191)(460.7421, 317.7073)(874.49896, 48576.79)(875.5, 21633.904)(876.4947, 5841.586)(877.48956, 1084.5681)(456.73206, 2261.1199)(457.2341, 856.2534)(457.74496, 517.8925)(448.74734, 4439.8115)(449.24567, 1733.4628)(449.7456, 944.5693)(450.24792, 460.0025)(912.4535, 1657.865)(913.44867, 905.37836)(914.45105, 341.1325)(896.4797, 33022.9)(897.4814, 14667.268)(898.4774, 4049.2192)(899.48267, 1029.76)" 873.4873@7.1128 FindByFormula + 873.4873 7.1128 873.4997@7.11311 "(872.4872, 11313.955)(873.48987, 5217.7295)(874.4917, 1526.8723)(875.492, 449.996)" 873.4997@7.11311 FindByFormula - 873.4997 7.11311 873.5427@26.649 "(874.5521, 3717.79)(875.5574, 1414.45)(876.56665, 2256.9)" 873.5427@26.649 FindByFormula + 873.5427 26.649 873.5438@17.531334 "(874.55225, 1368.43)(875.54474, 608.8833)" 873.5438@17.531334 FindByFormula + 873.5438 17.531334 874.4492@6.636667 "(875.457, 3662.2366)(876.4614, 2156.3533)(877.45917, 811.4067)(878.4596, 474.11)" 874.4492@6.636667 FindByFormula + 874.4492 6.636667 874.4941@7.6485 "(873.4868, 2485.4)(874.48926, 1279.835)(875.4901, 431.97998)" 874.4941@7.6485 FindByFormula - 874.4941 7.6485 874.5379@13.6327505 "(873.53687, 2462.5825)(874.5399, 1402.7101)" 874.5379@13.6327505 FindByFormula - 874.5379 13.6327505 874.8214@4.722 "(875.8296, 6304.63)(876.8312, 1502.365)(877.82404, 421.82)(897.8179, 1437.685)(898.81445, 406.22)(899.8079, 237.63)" 874.8214@4.722 FindByFormula + 874.8214 4.722 874.8226@4.722 "(875.83014, 3807.91)(876.83167, 847.7)(877.82556, 247.88)(897.8183, 1061.1799)(898.8176, 380.415)" 874.8226@4.722 FindByFormula + 874.8226 4.722 875.5101@16.60225 "(876.51697, 1974.4102)(877.5152, 1243.3175)" 875.5101@16.60225 FindByFormula + 875.5101 16.60225 875.5618@22.0299 "(876.5682, 6007.907)(877.57275, 3263.54)(878.5812, 2781.6462)(898.5517, 1079.64)(899.54333, 659.49)" 875.5618@22.0299 FindByFormula + 875.5618 22.0299 875.5628@21.282501 "(876.5691, 1181.8201)(877.56964, 468.57)(878.5851, 361.1)" 875.5628@21.282501 FindByFormula + 875.5628 21.282501 875.5658@22.045668 "(876.56805, 4623.433)(877.5725, 2278.0134)(878.5796, 1817.18)(879.5734, 638.8034)(898.5491, 711.87)(899.56, 464.265)" 875.5658@22.045668 FindByFormula + 875.5658 22.045668 876.4881@8.4305 "(877.49414, 23521.574)(878.489, 10990.76)(879.4867, 6237.365)" 876.4881@8.4305 FindByFormula + 876.4881 8.4305 876.4971@6.9677496 "(875.4902, 930.875)(876.4908, 418.31497)" 876.4971@6.9677496 FindByFormula - 876.4971 6.9677496 876.5092@16.644306 "(877.5153, 4706.2026)(878.515, 1628.8254)" 876.5092@16.644306 FindByFormula + 876.5092 16.644306 876.5652@26.7275 "(877.57214, 1256.99)(878.58154, 1186.99)(879.57837, 495.28497)" 876.5652@26.7275 FindByFormula + 876.5652 26.7275 876.571@22.036 "(877.5751, 5700.32)(878.584, 6882.715)(879.58734, 3360.105)(880.577, 834.42004)(899.5543, 1369.86)" 876.571@22.036 FindByFormula + 876.571 22.036 876.8402@26.568665 "(877.8464, 1230.98)(878.84235, 447.21335)" 876.8402@26.568665 FindByFormula + 876.8402 26.568665 877.1779@14.708 "(878.18646, 3033.19)(879.1933, 1328.0)(880.1801, 1271.5549)" 877.1779@14.708 FindByFormula + 877.1779 14.708 877.3802@7.048857 "(439.6984, 1999.15)(440.2059, 1011.53)(440.6943, 1279.33)(878.3897, 83788.6)(879.3949, 39152.492)(880.3985, 13118.292)(881.41516, 4759.49)(882.4276, 2380.4)(916.3513, 2322.51)(917.35815, 450.49002)(900.37616, 9085.502)(901.384, 3315.9126)(902.3899, 691.74)" 877.3802@7.048857 FindByFormula + 877.3802 7.048857 877.3831@7.074583 "(439.6986, 628.065)(440.1914, 150.465)(440.69644, 409.15002)(878.3909, 56568.406)(879.396, 25717.977)(880.3994, 9605.905)(916.3426, 2619.49)(917.3444, 564.95)(900.3773, 7119.945)(901.3807, 2809.0474)(902.37085, 810.42)" 877.3831@7.074583 FindByFormula + 877.3831 7.074583 877.3843@7.0315 "(876.3771, 1380.595)(877.38086, 639.8025)" 877.3843@7.0315 FindByFormula - 877.3843 7.0315 877.4024@7.4138002 "(876.3921, 1190.738)(877.39636, 543.03796)" 877.4024@7.4138002 FindByFormula - 877.4024 7.4138002 877.4635@8.406 "(878.47205, 38496.35)(879.47, 17814.11)(880.46674, 3951.75)" 877.4635@8.406 FindByFormula + 877.4635 8.406 878.1921@1.9463334 "(879.1984, 1509.0734)(880.19653, 975.32495)(881.2002, 649.59827)(901.18994, 1478.965)(902.18964, 851.5617)(903.18066, 536.376)" 878.1921@1.9463334 FindByFormula + 878.1921 1.9463334 878.4629@24.722666 "(879.4709, 6300.027)(880.47485, 3426.6501)(881.4891, 1234.67)" 878.4629@24.722666 FindByFormula + 878.4629 24.722666 878.5204@2.0935001 "(879.52747, 1091.04)(880.5326, 736.57)(881.5212, 435.8)" 878.5204@2.0935001 FindByFormula + 878.5204 2.0935001 879.1541@1.1433334 "(438.57068, 1591.2167)(439.07132, 557.08)(439.57178, 140.0)" 879.1541@1.1433334 FindByFormula - 879.1541 1.1433334 879.3349@24.254 "(880.339, 1527.645)(881.34735, 758.64)" 879.3349@24.254 FindByFormula + 879.3349 24.254 879.4996@8.9005 "(880.5257, 483.64)(881.5262, 398.75)(902.491, 197.35)(903.4859, 189.8)" 879.4996@8.9005 FindByFormula + 879.4996 8.9005 879.9003@9.7505 "(880.91, 6061.45)(881.9064, 1477.2051)(882.9114, 1081.8049)" 879.9003@9.7505 FindByFormula + 879.9003 9.7505 880.4779@12.734777 "(881.48535, 2171.0217)(882.4871, 1200.8961)(883.4866, 503.22726)(884.4905, 84.46778)" 880.4779@12.734777 FindByFormula + 880.4779 12.734777 880.5797@7.7222 "(879.57, 1015.932)(880.5706, 519.83203)" 880.5797@7.7222 FindByFormula - 880.5797 7.7222 880.6078@23.056614 "(881.61597, 7573.1206)(882.61914, 3891.1064)(883.6274, 1154.5624)(884.61786, 291.21)" 880.6078@23.056614 FindByFormula + 880.6078 23.056614 880.8385@4.714 "(881.8459, 23239.564)(882.8482, 5467.437)(883.85004, 1306.86)(884.8445, 331.365)(903.82666, 3392.7932)(904.8238, 892.5667)(905.81134, 217.05669)" 880.8385@4.714 FindByFormula + 880.8385 4.714 880.8396@4.6993337 "(881.84644, 19540.797)(882.8479, 4438.8833)(883.8506, 1152.7067)(884.841, 184.12)(903.8267, 2926.05)(904.8221, 766.0234)(905.8398, 137.73)" 880.8396@4.6993337 FindByFormula + 880.8396 4.6993337 880.84@4.05 "(881.8467, 17730.518)(882.8497, 3931.2634)(883.8489, 991.00336)(903.8277, 2222.65)(904.82385, 599.89)" 880.84@4.05 FindByFormula + 880.84 4.05 880.9823@6.918 "(441.50064, 1608.175)(442.0053, 753.025)(881.986, 535.29)" 880.9823@6.918 FindByFormula + 880.9823 6.918 881.3196@9.726001 "(882.32837, 6018.303)(883.3261, 3103.0598)(884.32886, 1333.5566)(920.2785, 878.76)(904.3066, 935.87)(905.2973, 537.03)" 881.3196@9.726001 FindByFormula + 881.3196 9.726001 882.482@10.058001 "(883.49146, 2763.375)(884.4946, 1589.585)(885.5095, 3411.26)(886.5143, 2533.43)(887.5092, 870.87)" 882.482@10.058001 FindByFormula + 882.482 10.058001 882.4847@10.083 "(883.49243, 2692.285)(884.4955, 1452.935)" 882.4847@10.083 FindByFormula + 882.4847 10.083 882.5241@1.494 "(442.27545, 1962.03)(442.76807, 484.24)(883.5347, 1533.6234)(884.5322, 526.7)(921.48975, 602.025)(905.5205, 2348.9468)(906.5185, 815.6667)(907.51685, 342.83)" 882.5241@1.494 FindByFormula + 882.5241 1.494 882.5863@18.682499 "(883.5965, 5346.07)(884.60156, 2827.8699)(885.5934, 941.645)" 882.5863@18.682499 FindByFormula + 882.5863 18.682499 883.5178@7.061 "(882.51404, 1950.6749)(883.5154, 874.735)(884.512, 265.425)" 883.5178@7.061 FindByFormula - 883.5178 7.061 883.5466@6.4165 "(442.78516, 3203.0051)(443.2795, 1254.55)(443.77228, 304.54)(464.7648, 1918.65)(465.2632, 751.41)(884.5537, 5987.525)(885.5536, 3112.245)(886.5576, 869.295)(453.77252, 1691.475)(454.2688, 1045.905)(906.53687, 11062.65)(907.536, 5879.855)(908.5344, 1470.97)(909.5358, 857.08)" 883.5466@6.4165 FindByFormula + 883.5466 6.4165 883.547@6.3615 "(442.784, 1514.41)(443.2781, 369.5)(443.7781, 166.14)(884.55334, 6132.16)(885.55505, 3069.855)(886.5614, 356.33)(453.7758, 856.73)(454.2762, 853.81)(906.5355, 11628.58)(907.53973, 5791.63)(908.543, 385.39)" 883.547@6.3615 FindByFormula + 883.547 6.3615 883.5485@6.4379997 "(882.5406, 1710.67)(883.5429, 844.3625)" 883.5485@6.4379997 FindByFormula - 883.5485 6.4379997 883.5514@1.8821112 "(442.78424, 1977.0912)(443.28775, 1239.6562)(443.77774, 199.90999)(464.76996, 1049.075)(465.27032, 788.53503)(884.55566, 6341.7124)(885.5554, 2966.4988)(886.56055, 1030.5737)(887.5599, 732.73505)(453.7695, 163.33)(454.2717, 164.37)(922.5223, 422.64)(923.5061, 300.3)(906.5352, 4117.96)(907.53925, 2626.5933)(908.5371, 1038.1234)(909.5521, 225.42)" 883.5514@1.8821112 FindByFormula + 883.5514 1.8821112 883.5536@1.8816 "(442.7848, 3184.3975)(443.28876, 1882.61)(443.7892, 553.1434)(464.76865, 864.64667)(465.2686, 569.0933)(884.55725, 8685.126)(885.55743, 4238.5103)(886.55927, 1319.5021)(887.56537, 423.03)(453.7748, 1464.145)(454.26953, 1177.265)(922.50867, 1650.9199)(923.51056, 1077.23)(906.53876, 9361.354)(907.5404, 4603.9976)(908.53894, 1587.328)(909.5306, 423.664)" 883.5536@1.8816 FindByFormula + 883.5536 1.8816 883.5582@1.8284 "(882.54755, 1031.558)(883.5495, 453.67)" 883.5582@1.8284 FindByFormula - 883.5582 1.8284 884.0052@7.9575 "(443.01617, 1972.25)(443.51587, 479.64502)(885.00793, 2397.4849)" 884.0052@7.9575 FindByFormula + 884.0052 7.9575 884.3747@7.1355 "(883.36676, 3100.6348)(884.37, 1408.74)(885.37274, 445.61502)" 884.3747@7.1355 FindByFormula - 884.3747 7.1355 884.4939@8.342501 "(883.4829, 1576.1699)(884.4852, 726.495)" 884.4939@8.342501 FindByFormula - 884.4939 8.342501 884.5006@9.984334 "(885.51074, 5097.7065)(886.513, 2924.3035)(887.51416, 1130.0868)(888.5073, 318.8)" 884.5006@9.984334 FindByFormula + 884.5006 9.984334 884.5028@9.984334 "(885.51074, 5097.7065)(886.513, 2924.3035)(887.51416, 1130.0868)" 884.5028@9.984334 FindByFormula + 884.5028 9.984334 884.5039@9.984334 "(885.5112, 4940.797)(886.5129, 2846.62)(887.51373, 1113.7233)" 884.5039@9.984334 FindByFormula + 884.5039 9.984334 884.5391@6.793 "(443.27606, 5278.725)(443.77484, 2024.78)(444.278, 634.19)(885.5444, 7913.8096)(886.54395, 3609.0898)(887.5453, 2445.77)(907.4984, 950.78)(908.5242, 349.22)" 884.5391@6.793 FindByFormula + 884.5391 6.793 884.5465@6.7725 "(883.5404, 1670.1699)(884.54333, 945.095)" 884.5465@6.7725 FindByFormula - 884.5465 6.7725 884.6027@20.8625 "(885.6102, 39265.195)(886.6118, 12032.29)" 884.6027@20.8625 FindByFormula + 884.6027 20.8625 884.6041@20.48775 "(885.6103, 23624.45)(886.61365, 7777.6426)" 884.6041@20.48775 FindByFormula + 884.6041 20.48775 885.1898@7.4215 "(443.6007, 2084.185)(444.11102, 246.955)" 885.1898@7.4215 FindByFormula + 885.1898 7.4215 885.4319@1.1729999 "(886.44135, 4514.3057)(887.4443, 2066.3914)(888.44604, 874.96)(924.39355, 739.63995)(925.3931, 392.02713)(908.41956, 3715.8303)(909.42206, 1818.0477)(910.4287, 614.57)" 885.4319@1.1729999 FindByFormula + 885.4319 1.1729999 885.5087@7.881334 "(886.51587, 1782.07)(887.5177, 1079.8251)(888.5157, 575.9)(908.496, 4836.28)(909.4952, 2676.06)" 885.5087@7.881334 FindByFormula + 885.5087 7.881334 885.531@1.1309999 "(444.19437, 2296.2952)(444.6089, 659.21)(444.7698, 431.64)(886.53217, 5756.155)(887.5349, 2958.0032)(888.53564, 1005.5816)(889.5456, 268.39334)(924.4868, 1161.718)(925.4948, 577.1681)(926.4938, 413.55)(908.5161, 3545.4434)(909.519, 1970.1984)(910.5164, 636.845)(911.5175, 184.19)" 885.531@1.1309999 FindByFormula + 885.531 1.1309999 885.5352@7.8760004 "(884.5261, 6522.905)(885.5261, 3201.5452)(886.5226, 974.875)" 885.5352@7.8760004 FindByFormula - 885.5352 7.8760004 885.5692@7.187 "(884.56366, 1656.1599)(885.56616, 813.14746)" 885.5692@7.187 FindByFormula - 885.5692 7.187 886.5076@7.6893334 "(444.2662, 875.85)(444.7612, 404.1)(887.52686, 1518.2151)(888.5222, 1233.835)" 886.5076@7.6893334 FindByFormula + 886.5076 7.6893334 886.5176@8.007 "(885.51245, 1551.735)(886.5135, 772.145)" 886.5176@8.007 FindByFormula - 886.5176 8.007 886.5183@7.9815 "(444.26874, 2188.3901)(444.7729, 1155.625)(887.5377, 807.36)(888.5189, 460.53)" 886.5183@7.9815 FindByFormula + 886.5183 7.9815 886.5217@6.69 "(885.5123, 554.195)(886.5148, 298.66)" 886.5217@6.69 FindByFormula - 886.5217 6.69 886.5418@14.821667 "(885.54156, 1604.5133)(886.54596, 1010.88995)(887.55475, 518.08)" 886.5418@14.821667 FindByFormula - 886.5418 14.821667 888.52@21.925667 "(889.53436, 1841.3634)(890.53564, 842.88336)(891.53644, 541.1867)" 888.52@21.925667 FindByFormula + 888.52 21.925667 888.5391@15.48975 "(889.5481, 3152.7175)(890.55194, 1554.5659)(891.55365, 630.92255)" 888.5391@15.48975 FindByFormula + 888.5391 15.48975 888.5569@26.54 "(889.5687, 681.805)(890.5548, 333.475)" 888.5569@26.54 FindByFormula + 888.5569 26.54 889.3997@7.0275 "(888.39233, 4113.81)(889.3954, 1820.0499)(890.40027, 835.35004)" 889.3997@7.0275 FindByFormula - 889.3997 7.0275 889.6584@27.350334 "(890.66235, 1748.2467)(891.65936, 335.53)(892.65924, 615.0267)" 889.6584@27.350334 FindByFormula + 889.6584 27.350334 891.137@8.379 "(892.1454, 4092.61)(893.1399, 716.165)(894.15076, 797.16003)" 891.137@8.379 FindByFormula + 891.137 8.379 891.2875@0.77349997 "(892.2918, 1221.535)(893.29517, 654.055)" 891.2875@0.77349997 FindByFormula + 891.2875 0.77349997 891.4153@7.4082503 "(892.422, 43804.01)(893.4254, 20104.307)(894.4291, 7281.455)(895.43665, 1637.535)(914.40063, 20645.895)(915.40515, 10915.73)(916.40686, 3357.465)" 891.4153@7.4082503 FindByFormula + 891.4153 7.4082503 891.5285@22.043499 "(892.5331, 943.495)(893.5354, 548.79004)" 891.5285@22.043499 FindByFormula + 891.5285 22.043499 892.4525@9.070749 "(893.4563, 5473.66)(894.4604, 2722.1724)(895.45544, 1843.4325)(896.44604, 532.58246)" 892.4525@9.070749 FindByFormula + 892.4525 9.070749 893.3486@24.749166 "(894.356, 1765.985)(895.361, 829.1316)(896.3597, 391.75168)" 893.3486@24.749166 FindByFormula + 893.3486 24.749166 893.3586@7.0495 "(447.6838, 4262.98)(448.1816, 365.04)(448.6698, 203.38)(894.3616, 11014.83)(895.36597, 4945.545)(896.37555, 1728.515)(916.335, 2340.32)" 893.3586@7.0495 FindByFormula + 893.3586 7.0495 893.451@7.9505 "(892.4459, 586.24)(893.45245, 274.15)" 893.451@7.9505 FindByFormula - 893.451 7.9505 894.1612@1.9123334 "(895.17706, 3641.3066)(896.1806, 2096.5266)(897.17303, 1245.8301)" 894.1612@1.9123334 FindByFormula + 894.1612 1.9123334 894.495@6.8728 "(918.4743, 326.83)(448.25204, 5680.2437)(448.75314, 2589.0767)(449.26154, 1191.59)(895.4922, 10425.54)(896.4959, 4939.09)(897.4904, 1576.85)(917.47485, 5462.455)(918.4772, 3892.1501)(919.478, 8710.23)" 894.495@6.8728 FindByFormula + 894.495 6.8728 894.667@14.897166 "(448.3411, 1245.65)(448.8517, 323.79)(449.3442, 435.14)(895.6731, 4640.6504)(896.676, 2322.7808)(897.67737, 647.91547)(898.6832, 103.645004)(917.651, 3968.2297)(918.6674, 2404.5198)(919.6621, 692.47)" 894.667@14.897166 FindByFormula + 894.667 14.897166 894.6675@14.890728 "(895.67444, 4628.101)(896.67847, 2423.2366)(897.6781, 770.84906)(898.6827, 297.75)(917.655, 13112.84)(918.6658, 6686.392)(919.6697, 2087.195)(920.67755, 446.74332)" 894.6675@14.890728 FindByFormula + 894.6675 14.890728 895.4705@7.1122503 "(908.4927, 574.815)(448.74734, 3175.98)(449.24738, 1444.3945)(449.74475, 826.2653)(470.72958, 2926.6187)(471.23285, 1362.643)(471.73276, 478.32098)(896.4789, 22658.191)(897.4812, 9982.348)(898.47687, 2737.777)(899.47876, 702.4799)(459.73932, 1766.1777)(460.24023, 974.7821)(460.744, 422.54004)(934.4372, 1611.0125)(935.4428, 825.25665)(936.4362, 932.1667)(918.4643, 15588.394)(919.4689, 6587.234)(920.46234, 2206.6118)(921.46014, 550.4134)" 895.4705@7.1122503 FindByFormula + 895.4705 7.1122503 895.4901@7.0030003 "(448.74866, 987.15497)(449.25726, 615.5)" 895.4901@7.0030003 FindByFormula + 895.4901 7.0030003 896.53@13.638429 "(897.5356, 4703.0415)(898.5372, 2528.1013)(899.5361, 1658.26)(900.5343, 1308.35)(919.52515, 8144.2197)(920.52954, 4581.165)(921.5309, 1983.28)" 896.53@13.638429 FindByFormula + 896.53 13.638429 896.5336@7.873 "(897.537, 3905.465)(898.54565, 2208.7349)(899.5338, 1912.81)(900.5226, 477.98)" 896.5336@7.873 FindByFormula + 896.5336 7.873 896.5354@7.871134 "(895.52997, 5685.545)(896.53253, 2897.8872)(897.531, 1837.5133)(898.52924, 751.8122)(899.5119, 425.47504)" 896.5354@7.871134 FindByFormula - 896.5354 7.871134 896.5501@16.537874 "(449.28625, 1989.0299)(449.78787, 164.12334)(450.29095, 1047.845)(450.8082, 151.64)(897.56085, 114.59)(935.5168, 148.98)(936.5236, 115.246666)(937.5053, 145.77)(919.53845, 8267.774)(920.5424, 4244.123)(921.5412, 1976.1575)(922.5438, 628.93646)" 896.5501@16.537874 FindByFormula + 896.5501 16.537874 896.5522@15.098 "(895.5481, 19364.064)(896.551, 8951.415)(897.55115, 2835.7751)(898.5564, 1360.82)" 896.5522@15.098 FindByFormula - 896.5522 15.098 896.6076@20.1054 "(897.6107, 2543.8198)(898.61115, 1284.45)(899.6178, 511.02997)" 896.6076@20.1054 FindByFormula + 896.6076 20.1054 897.4721@7.197 "(898.4795, 2546.42)(899.50055, 1084.4)" 897.4721@7.197 FindByFormula + 897.4721 7.197 897.4888@8.4305 "(896.4776, 652.16504)(897.4791, 384.55)" 897.4888@8.4305 FindByFormula - 897.4888 8.4305 897.6078@16.564335 "(898.6108, 5700.9043)(899.61365, 2880.2476)(900.6219, 900.98004)(901.6247, 193.92332)" 897.6078@16.564335 FindByFormula + 897.6078 16.564335 898.5134@2.2194 "(450.26376, 3381.134)(450.7645, 1740.3842)(451.26816, 639.312)(899.5089, 687.5)(900.486, 566.27)(461.2544, 2209.17)(461.7567, 796.64)" 898.5134@2.2194 FindByFormula + 898.5134 2.2194 898.515@6.8196664 "(897.50885, 724.4467)(898.51245, 416.53)" 898.515@6.8196664 FindByFormula - 898.515 6.8196664 898.5159@6.8196664 "(897.50885, 724.4467)(898.51245, 416.53)(899.5167, 95.62)" 898.5159@6.8196664 FindByFormula - 898.5159 6.8196664 898.5878@15.92675 "(899.59265, 4317.075)(900.59753, 2528.0527)(901.5967, 1170.0125)" 898.5878@15.92675 FindByFormula + 898.5878 15.92675 898.6804@26.228 "(899.6921, 6353.6846)(900.69385, 3349.63)(901.69824, 1515.64)" 898.6804@26.228 FindByFormula + 898.6804 26.228 898.6819@26.4385 "(899.6926, 10237.005)(900.69525, 6388.715)(901.69794, 2586.795)" 898.6819@26.4385 FindByFormula + 898.6819 26.4385 898.6916@16.668 "(450.35345, 4318.0596)(450.85205, 267.155)(451.3565, 1272.12)" 898.6916@16.668 FindByFormula + 898.6916 16.668 898.6924@16.696665 "(450.35376, 3334.8633)(450.85403, 216.09334)(451.35693, 1035.6234)" 898.6924@16.696665 FindByFormula + 898.6924 16.696665 899.4042@7.424 "(900.41016, 9341.989)(901.4278, 4890.0947)" 899.4042@7.424 FindByFormula + 899.4042 7.424 899.5352@7.808 "(898.5315, 1771.2751)(899.5227, 610.85254)" 899.5352@7.808 FindByFormula - 899.5352 7.808 899.5663@22.0335 "(900.5763, 2925.1724)(901.5815, 1789.1975)(902.583, 1004.63995)" 899.5663@22.0335 FindByFormula + 899.5663 22.0335 899.5734@20.7565 "(900.58093, 3930.19)(901.58606, 1804.32)(902.5872, 710.75)" 899.5734@20.7565 FindByFormula + 899.5734 20.7565 899.5861@7.427334 "(898.5783, 2398.3867)(899.58014, 1110.07)(900.58185, 390.15)" 899.5861@7.427334 FindByFormula - 899.5861 7.427334 8-aminocaprylic acid "8-aminocaprylic acid [ C8 H17 N O2, db=82.98, tgt=, overall=82.98, CAS ID=1002-57-9, METLIN ID=44732 ]" 1002-57-9 "(160.13358, 29215.865)(161.1351, 2842.0063)(198.085, 1122.214)" 8-aminocaprylic acid FindByFormula + 159.1261 0.96505004 8-aminocaprylic acid + 0.96225005 "8-aminocaprylic acid [ C8 H17 N O2, db=82.95, tgt=, overall=82.95, CAS ID=1002-57-9, METLIN ID=44732 ]" 1002-57-9 "(160.1339, 42111.395)(161.13582, 4088.3118)(198.08542, 1686.4799)" 8-aminocaprylic acid + 0.96225005 FindByFormula + 159.1262 0.96225005 8-C-Glucopyranosyleriodictylol "8-C-Glucopyranosyleriodictylol [ C21 H22 O11, db=81.31, tgt=, overall=81.31, Lipid ID=LMPK12140356, METLIN ID=52840 ]" "(473.1062, 4826.0063)(474.10873, 1127.2333)(475.113, 699.7933)" 8-C-Glucopyranosyleriodictylol FindByFormula + LMPK12140356 472.0993 6.5816665 8-C-Glucopyranosyleriodictylol + 3.033 "8-C-Glucopyranosyleriodictylol [ C21 H22 O11, db=91.76, tgt=, overall=91.76, Lipid ID=LMPK12140356, METLIN ID=52840 ]" "(473.10684, 3902.115)(474.111, 777.92)(475.1101, 207.87)" 8-C-Glucopyranosyleriodictylol + 3.033 FindByFormula + LMPK12140356 472.0986 3.033 8-epi-8-F2c-IsoP "8-epi-8-F2c-IsoP [ C20 H34 O5, db=97.78, tgt=, overall=97.78, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.2298, 32709.484)(378.23334, 7480.9536)(379.2396, 1560.7521)(399.21228, 4981.205)(400.21313, 1102.785)" 8-epi-8-F2c-IsoP FindByFormula + LMFA03110020 376.2232 10.958875 8-epi-8-F2c-IsoP - 10.225 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=92.66, tgt=, overall=92.66, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(353.23178, 7667.569)(354.23553, 1672.3414)(355.2447, 220.36)" 8-epi-8-F2c-IsoP - 10.225 FindByFormula - LMFA03110020 354.2396 10.225 8-epi-8-F2c-IsoP - 10.575687 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=94.35, tgt=, overall=94.35, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(353.23196, 4046.4114)(354.23553, 933.9155)(355.24118, 107.09333)" 8-epi-8-F2c-IsoP - 10.575687 FindByFormula - LMFA03110020 354.2401 10.575687 8-epi-8-F2c-IsoP - 10.701 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=91.43, tgt=, overall=91.43, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(353.232, 8186.3247)(354.23544, 1821.6646)(355.24106, 524.2733)" 8-epi-8-F2c-IsoP - 10.701 FindByFormula - LMFA03110020 354.239 10.701 8-epi-8-F2c-IsoP - 10.762875 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=96.36, tgt=, overall=96.36, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(353.23257, 8502.508)(354.23587, 1896.8687)(355.2479, 116.33)" 8-epi-8-F2c-IsoP - 10.762875 FindByFormula - LMFA03110020 354.2402 10.762875 8-epi-8-F2c-IsoP + 10.155168 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=74.04, tgt=, overall=74.04, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.2283, 12584.3545)(378.23105, 3067.6033)(379.23828, 1592.2401)(399.21194, 999.9766)(400.222, 678.66)" 8-epi-8-F2c-IsoP + 10.155168 FindByFormula + LMFA03110020 376.2161 10.155168 8-epi-8-F2c-IsoP + 10.163928 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=82.25, tgt=, overall=82.25, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.2295, 29680.59)(378.2324, 6833.066)(379.2412, 2883.5615)(380.246, 814.52)(399.21075, 2239.104)(400.2133, 620.44)" 8-epi-8-F2c-IsoP + 10.163928 FindByFormula + LMFA03110020 376.2232 10.163928 8-epi-8-F2c-IsoP + 10.165833 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=89.40, tgt=, overall=89.40, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.22977, 15852.293)(378.23312, 3801.4993)(379.2417, 1169.7339)(380.2577, 137.19)(399.20966, 858.5843)(400.21396, 202.97333)(401.2142, 135.25)" 8-epi-8-F2c-IsoP + 10.165833 FindByFormula + LMFA03110020 376.222 10.165833 8-epi-8-F2c-IsoP + 10.167625 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=78.80, tgt=, overall=78.80, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.22888, 19404.656)(378.23166, 4610.7114)(379.23932, 1839.6187)(380.2452, 1386.16)(399.20883, 1000.0833)(400.222, 678.66)(401.2106, 330.82)" 8-epi-8-F2c-IsoP + 10.167625 FindByFormula + LMFA03110020 376.2235 10.167625 8-epi-8-F2c-IsoP + 10.180039 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=80.30, tgt=, overall=80.30, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.23016, 20671.178)(378.23367, 4815.041)(379.24173, 2124.0078)(399.21344, 2018.3112)(400.21994, 483.55)" 8-epi-8-F2c-IsoP + 10.180039 FindByFormula + LMFA03110020 376.2234 10.180039 8-epi-8-F2c-IsoP + 10.184401 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=81.25, tgt=, overall=81.25, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(753.4593, 98.44)(377.2295, 29025.334)(378.2325, 6709.895)(379.24255, 2907.9353)(380.23935, 235.78)(399.21167, 1004.33)(400.2123, 204.32666)" 8-epi-8-F2c-IsoP + 10.184401 FindByFormula + LMFA03110020 376.2231 10.184401 8-epi-8-F2c-IsoP + 10.19075 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=77.99, tgt=, overall=77.99, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.22992, 23608.307)(378.23297, 5480.327)(379.24228, 2301.4346)(380.24625, 1167.0884)(399.2111, 3042.9248)(400.21576, 831.58997)" 8-epi-8-F2c-IsoP + 10.19075 FindByFormula + LMFA03110020 376.2224 10.19075 8-epi-8-F2c-IsoP + 10.191438 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=81.43, tgt=, overall=81.43, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(355.24484, 388.8025)(356.2396, 153.15001)(377.22952, 23857.57)(378.23297, 5488.6196)(379.2417, 2432.9514)" 8-epi-8-F2c-IsoP + 10.191438 FindByFormula + LMFA03110020 354.2396 10.191438 8-epi-8-F2c-IsoP + 10.594999 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=83.57, tgt=, overall=83.57, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.22815, 9225.42)(378.23218, 1749.29)(379.23547, 750.76495)" 8-epi-8-F2c-IsoP + 10.594999 FindByFormula + LMFA03110020 376.2151 10.594999 8-epi-8-F2c-IsoP + 10.935286 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=97.67, tgt=, overall=97.67, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.22998, 37193.37)(378.23288, 8554.445)(379.241, 1424.8999)(399.2127, 1029.43)(400.213, 116.92)" 8-epi-8-F2c-IsoP + 10.935286 FindByFormula + LMFA03110020 376.2235 10.935286 8-epi-8-F2c-IsoP + 11.124 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=95.25, tgt=, overall=95.25, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.22998, 5560.805)(378.2325, 1411.8401)(379.24146, 196.14499)(399.2114, 580.64)(400.1987, 214.79)" 8-epi-8-F2c-IsoP + 11.124 FindByFormula + LMFA03110020 376.2215 11.124 8-epi-8-F2c-IsoP + 11.3955 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=82.31, tgt=, overall=82.31, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.2284, 3657.5352)(378.22885, 869.07)(379.24005, 112.865005)" 8-epi-8-F2c-IsoP + 11.3955 FindByFormula + LMFA03110020 376.2212 11.3955 8-epi-8-F2c-IsoP + 11.78 "8-epi-8-F2c-IsoP [ C20 H34 O5, db=73.56, tgt=, overall=73.56, Lipid ID=LMFA03110020, METLIN ID=45991 ]" "(377.23004, 938.855)(378.23322, 248.97)(379.23602, 203.34999)(399.2144, 340.43)" 8-epi-8-F2c-IsoP + 11.78 FindByFormula + LMFA03110020 376.223 11.78 "8-Hydroxy-14,16-hentriacontanedione" "8-Hydroxy-14,16-hentriacontanedione [ C31 H60 O3, db=60.44, tgt=, overall=60.44, CAS ID=10368-07-7, HMP ID=HMDB31056, METLIN ID=87378 ]" 10368-07-7 "(503.4424, 2118.9648)(504.44174, 784.0)" "8-Hydroxy-14,16-hentriacontanedione" FindByFormula HMDB31056 + 502.4338 14.801001 8-iso-15-keto-PGE2 "8-iso-15-keto-PGE2 [ C20 H30 O5, db=66.37, tgt=, overall=66.37, Lipid ID=LMFA03110009, METLIN ID=36383 ]" "(351.215, 2116.1438)(352.2229, 610.36)(373.19672, 363.29498)" 8-iso-15-keto-PGE2 FindByFormula + LMFA03110009 350.2073 9.928499 8-iso-15-keto-PGE2 + 10.135333 "8-iso-15-keto-PGE2 [ C20 H30 O5, db=58.06, tgt=, overall=58.06, Lipid ID=LMFA03110009, METLIN ID=36383 ]" "(351.21506, 1296.0834)(352.22397, 447.43002)" 8-iso-15-keto-PGE2 + 10.135333 FindByFormula + LMFA03110009 350.2069 10.135333 8-iso-15-keto-PGE2 + 9.8696 "8-iso-15-keto-PGE2 [ C20 H30 O5, db=55.57, tgt=, overall=55.57, Lipid ID=LMFA03110009, METLIN ID=36383 ]" "(351.21542, 1864.084)(352.22647, 650.656)" 8-iso-15-keto-PGE2 + 9.8696 FindByFormula + LMFA03110009 350.2084 9.8696 8S-HEPE "8S-HEPE [ C20 H30 O3, mfg=81.48, db=81.39, tgt=, overall=81.43, CAS ID=118492-81-2, METLIN ID=45642 ]" 118492-81-2 "(319.2263, 4343.459)(320.23077, 1083.24)" 8S-HEPE FindByFormula + 318.2203 10.1791 8S-HEPE - 14.8095 "8S-HEPE [ C20 H30 O3, db=78.89, tgt=, overall=78.89, CAS ID=118492-81-2, METLIN ID=45642 ]" 118492-81-2 "(317.21088, 1884.3375)(318.21387, 415.23248)" 8S-HEPE - 14.8095 FindByFormula - 318.2174 14.8095 8S-HEPE + 10.179 "8S-HEPE [ C20 H30 O3, db=92.40, tgt=, overall=92.40, CAS ID=118492-81-2, METLIN ID=45642 ]" 118492-81-2 "(319.22592, 2595.665)(320.2294, 646.58246)(321.2322, 189.39)" 8S-HEPE + 10.179 FindByFormula + 318.2194 10.179 8S-HEPE + 11.129 "8S-HEPE [ C20 H30 O3, db=83.12, tgt=, overall=83.12, CAS ID=118492-81-2, METLIN ID=45642 ]" 118492-81-2 "(319.22736, 9492.471)(320.2298, 2187.2651)" 8S-HEPE + 11.129 FindByFormula + 318.22 11.129 "9,10,13-Trihydroxystearic acid" "9,10,13-Trihydroxystearic acid [ C18 H36 O5, db=96.20, tgt=, overall=96.20, CAS ID=50439-74-2, HMP ID=HMDB30935, METLIN ID=87299 ]" 50439-74-2 "(355.24615, 16766.984)(356.2497, 3569.6602)(357.2558, 678.55)(393.199, 110.98)(394.2069, 59.18)(377.2291, 1744.01)(378.231, 563.99)(379.2195, 119.14)" "9,10,13-Trihydroxystearic acid" FindByFormula HMDB30935 + 354.2395 10.554501 "9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid" "9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid [ C18 H34 O6, db=87.12, tgt=, overall=87.12, Lipid ID=LMFA02000160, KEGG ID=, METLIN ID=74513 ]" "(369.22528, 7458.92)(370.22906, 1639.8401)(371.2245, 570.89)" "9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid" FindByFormula + LMFA02000160 368.217 9.233 "9,10-Epoxy-18-hydroxystearate" "9,10-Epoxy-18-hydroxystearate [ C18 H34 O4, mfg=77.82, db=79.36, tgt=, overall=39.68, KEGG ID=C19620, METLIN ID=73267 ]" "(337.23596, 3041.34)(338.23883, 711.26)" "9,10-Epoxy-18-hydroxystearate" FindByFormula + C19620 336.2271 10.5815 "9,10-Epoxy-18-hydroxystearate + 12.986333" "9,10-Epoxy-18-hydroxystearate [ C18 H34 O4, db=78.01, tgt=, overall=78.01, KEGG ID=C19620, METLIN ID=73267 ]" "(337.234, 3578.92)(338.23746, 876.9267)" "9,10-Epoxy-18-hydroxystearate + 12.986333" FindByFormula + C19620 336.2283 12.986333 "9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol" "9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol [ C29 H46 O6, db=64.97, tgt=, overall=64.97, Lipid ID=LMST01010293, METLIN ID=83895 ]" "(513.3172, 1874.78)(514.3225, 802.35)(515.31885, 403.715)" "9,11alpha-epoxy-6alpha-acetoxy-cholest-7-en-3beta,5alpha,19-triol" FindByFormula + LMST01010293 512.3112 12.1475 900.1794@1.9601111 "(901.1851, 2002.3789)(902.1914, 1200.9644)(903.19324, 863.33)(923.1561, 245.86)" 900.1794@1.9601111 FindByFormula + 900.1794 1.9601111 900.5017@2.018 "(901.50977, 6763.725)(902.51324, 3311.33)" 900.5017@2.018 FindByFormula + 900.5017 2.018 900.5031@1.8636 "(901.5093, 3486.8684)(902.5109, 1793.042)(903.4918, 168.92)" 900.5031@1.8636 FindByFormula + 900.5031 1.8636 901.1837@1.959 "(902.19, 565.71)(903.1889, 414.29)(924.1716, 421.52)(925.1837, 226.17)" 901.1837@1.959 FindByFormula + 901.1837 1.959 902.2341@22.4 "(903.2386, 1576.99)(904.2428, 825.415)" 902.2341@22.4 FindByFormula + 902.2341 22.4 902.5491@7.571125 "(901.5388, 3412.0122)(902.5419, 1761.745)(903.5424, 553.33997)" 902.5491@7.571125 FindByFormula - 902.5491 7.571125 902.5546@16.548664 "(903.5636, 106621.97)(904.56714, 55152.613)(905.5697, 17522.012)" 902.5546@16.548664 FindByFormula + 902.5546 16.548664 902.5551@14.83879 "(903.56366, 3197.518)(904.56866, 1713.8029)(905.5696, 685.36053)" 902.5551@14.83879 FindByFormula + 902.5551 14.83879 902.5572@16.548119 "(903.5636, 110443.43)(904.5672, 57131.652)(905.56976, 18152.922)(906.5749, 4452.396)(907.5703, 1031.6936)(908.57336, 181.39)" 902.5572@16.548119 FindByFormula + 902.5572 16.548119 902.7254@16.103 "(452.3706, 4866.81)(452.87378, 379.805)(453.37372, 1494.275)" 902.7254@16.103 FindByFormula + 902.7254 16.103 902.7271@15.620777 "(452.36996, 2207.2002)(452.8772, 518.49335)(453.37256, 697.8422)" 902.7271@15.620777 FindByFormula + 902.7271 15.620777 902.7305@16.050571 "(452.37085, 3271.6255)(452.87567, 444.23428)(453.37573, 1106.9885)" 902.7305@16.050571 FindByFormula + 902.7305 16.050571 902.7324@15.61325 "(452.37045, 2336.1875)(452.87732, 1019.535)(453.3723, 841.7175)(453.8771, 196.29)" 902.7324@15.61325 FindByFormula + 902.7324 15.61325 904.4596@7.3094997 "(453.23654, 769.57)(453.73053, 477.375)" 904.4596@7.3094997 FindByFormula + 904.4596 7.3094997 904.4715@8.2535 "(903.4659, 1069.6174)(904.47015, 512.1925)" 904.4715@8.2535 FindByFormula - 904.4715 8.2535 904.5248@1.9155 "(453.2717, 9291.08)(453.7739, 4427.2)(454.2746, 1286.5)(905.5283, 7722.98)(906.5316, 3466.73)(907.5392, 1100.76)(464.26392, 643.49)(464.76227, 182.815)(927.5102, 3923.97)(928.5189, 2272.3)(929.516, 981.56)" 904.5248@1.9155 FindByFormula + 904.5248 1.9155 905.5267@6.3615 "(453.77515, 1871.4299)(454.27554, 632.08496)(454.77496, 275.325)(906.5355, 12530.82)(907.5399, 6058.1055)(908.54224, 1710.3351)" 905.5267@6.3615 FindByFormula + 905.5267 6.3615 905.5322@1.88925 "(453.7737, 1667.17)(454.2658, 1524.53)(906.53955, 10549.367)(907.54144, 5105.7827)(908.54456, 1666.62)(909.5648, 280.95)(944.5024, 806.56)(945.496, 88.45)(928.5228, 7115.08)(929.5211, 3586.14)(930.5275, 1391.74)(931.5496, 300.0)" 905.5322@1.88925 FindByFormula + 905.5322 1.88925 905.5334@1.8294286 "(453.7737, 1667.17)(454.2658, 1524.53)(906.53937, 8551.77)(907.5409, 4275.156)(908.53937, 1399.3341)(909.52673, 465.82797)(944.49286, 1755.4834)(945.49774, 942.11993)(946.4854, 673.7367)(928.5207, 9269.205)(929.52167, 4786.626)(930.5254, 1772.1439)(931.5266, 748.9367)" 905.5334@1.8294286 FindByFormula + 905.5334 1.8294286 905.8162@26.5465 "(906.8243, 4546.209)(907.8223, 689.21045)(908.82074, 386.84042)" 905.8162@26.5465 FindByFormula + 905.8162 26.5465 905.8186@26.565104 "(906.825, 4999.852)(907.825, 771.8664)(908.8238, 391.20792)" 905.8186@26.565104 FindByFormula + 905.8186 26.565104 905.83@6.99 "(906.83344, 26492.47)(907.8344, 5775.57)" 905.83@6.99 FindByFormula + 905.83 6.99 906.2386@10.5065 "(905.2359, 10081.175)(906.2395, 5422.035)(907.2352, 12442.105)(908.2377, 6032.085)(909.2339, 5277.75)" 906.2386@10.5065 FindByFormula - 906.2386 10.5065 907.4@1.197 "(454.7075, 722.15)(455.2083, 113.95)(908.4104, 2855.0024)(909.40906, 1436.06)" 907.4@1.197 FindByFormula + 907.4 1.197 907.4144@1.168 "(454.7201, 948.485)(455.225, 342.55)(908.4214, 3769.0432)(909.42554, 1667.5233)(910.4282, 670.4167)(465.70645, 566.725)(466.19818, 919.62)(930.4008, 153.655)(931.3847, 48.78)" 907.4144@1.168 FindByFormula + 907.4144 1.168 907.486@8.305 "(906.4763, 2796.75)(907.47986, 1601.6951)(908.4824, 593.085)" 907.486@8.305 FindByFormula - 907.486 8.305 907.4893@7.9470005 "(908.495, 2764.02)(909.4922, 1728.3)(930.4789, 973.4)(931.4739, 921.22)" 907.4893@7.9470005 FindByFormula + 907.4893 7.9470005 907.5047@1.1299999 "(908.5159, 5619.792)(909.5168, 3024.1958)(930.4951, 1015.6533)(931.4965, 668.70667)" 907.5047@1.1299999 FindByFormula + 907.5047 1.1299999 907.5322@24.917665 "(908.5378, 1663.0167)(909.542, 1099.4833)" 907.5322@24.917665 FindByFormula + 907.5322 24.917665 907.5335@25.0265 "(908.5394, 2221.035)(909.54297, 1374.95)" 907.5335@25.0265 FindByFormula + 907.5335 25.0265 908.3107@24.271667 "(909.3174, 3008.7869)(910.3206, 1276.6066)(911.3203, 443.54666)" 908.3107@24.271667 FindByFormula + 908.3107 24.271667 908.6421@25.651543 "(909.6479, 12335.517)(910.65216, 6182.076)(911.6528, 2153.9133)(912.64954, 613.39667)" 908.6421@25.651543 FindByFormula + 908.6421 25.651543 909.3881@8.575 "(908.3803, 727.56995)(909.38544, 420.835)" 909.3881@8.575 FindByFormula - 909.3881 8.575 910.6157@21.553 "(911.625, 1462.865)(912.6288, 1057.46)(913.62354, 666.06)" 910.6157@21.553 FindByFormula + 910.6157 21.553 911.2376@10.4735 "(910.234, 2118.78)(911.2334, 915.615)" 911.2376@10.4735 FindByFormula - 911.2376 10.4735 911.503@8.073 "(910.4953, 1099.995)(911.49554, 753.595)(912.5014, 390.77002)" 911.503@8.073 FindByFormula - 911.503 8.073 911.5062@8.105334 "(456.7622, 3521.435)(457.26425, 2208.59)(457.7667, 189.04001)(912.50775, 36746.297)(913.50757, 17899.676)(914.49304, 4819.18)(915.4857, 992.81)(467.7522, 2216.5334)(468.25232, 754.9634)(468.75165, 1049.0)(950.4763, 2500.25)(934.4902, 10941.02)(935.488, 6473.404)(936.48846, 2369.785)(937.4873, 316.77)" 911.5062@8.105334 FindByFormula + 911.5062 8.105334 911.5138@7.1972 "(944.5043, 83.64)(456.76608, 6562.4473)(457.26505, 2044.2975)(457.7622, 196.0)(478.74948, 2229.0535)(479.25723, 1351.1866)(479.75723, 455.43335)(912.51666, 15128.321)(913.5181, 8031.0)(914.5061, 888.05)(467.7578, 3380.1152)(468.25476, 2103.12)(468.76624, 646.33496)(934.5037, 8336.02)(935.49756, 3948.9333)(936.50146, 2987.5652)" 911.5138@7.1972 FindByFormula + 911.5138 7.1972 911.5173@6.704 "(912.5229, 1619.71)(913.0104, 1823.12)(456.76477, 5183.62)(457.26254, 3220.9048)(457.76566, 892.975)(467.7552, 1132.19)(468.267, 935.34)(468.7629, 329.69)(950.4738, 619.34)(934.495, 276.8)" 911.5173@6.704 FindByFormula + 911.5173 6.704 911.5282@7.1855 "(910.51276, 1609.915)(911.519, 851.665)" 911.5282@7.1855 FindByFormula - 911.5282 7.1855 912.0134@7.8684998 "(457.01318, 1765.39)(457.5194, 797.985)" 912.0134@7.8684998 FindByFormula + 912.0134 7.8684998 912.5162@15.191499 "(457.26773, 4850.743)(457.77286, 2365.6833)(458.26697, 1044.14)(458.7756, 1298.62)(913.52826, 9422.461)(914.52924, 4685.035)(915.535, 1549.4082)(916.5536, 65.97)(476.2415, 66013.12)(476.7441, 5344.29)(477.2441, 16151.14)(468.254, 4156.51)(468.7528, 2443.71)(469.2537, 2241.23)(935.5102, 5195.7)(936.5109, 2732.7532)(937.5157, 1316.0734)" 912.5162@15.191499 FindByFormula + 912.5162 15.191499 913.5691@7.3336 "(912.5558, 5480.4844)(913.55676, 2770.4893)(914.5576, 856.221)(915.562, 274.73856)" 913.5691@7.3336 FindByFormula - 913.5691 7.3336 914.0954@13.633334 "(915.0994, 1535.88)(916.1098, 796.8)(917.10205, 519.02)(918.0973, 187.025)" 914.0954@13.633334 FindByFormula + 914.0954 13.633334 916.241@26.577572 "(917.247, 2467.07)(918.2499, 786.14996)(919.2487, 880.47)(920.2469, 293.94)" 916.241@26.577572 FindByFormula + 916.241 26.577572 916.2414@26.58 "(917.2471, 2869.1748)(918.25195, 978.64)(919.25104, 358.225)" 916.2414@26.58 FindByFormula + 916.2414 26.58 916.5684@17.2975 "(917.57947, 1409.485)(918.58276, 1052.8049)(919.5802, 581.74)" 916.5684@17.2975 FindByFormula + 916.5684 17.2975 916.569@17.702 "(917.57715, 1540.855)(918.58203, 805.955)(919.57605, 523.75)" 916.569@17.702 FindByFormula + 916.569 17.702 916.5717@17.342 "(917.57855, 1398.3601)(918.58606, 879.7825)(919.5802, 506.125)" 916.5717@17.342 FindByFormula + 916.5717 17.342 916.641@14.76175 "(917.6545, 17955.955)(918.6614, 9242.072)(919.66296, 2680.5725)(920.66504, 601.95996)" 916.641@14.76175 FindByFormula + 916.641 14.76175 916.6492@14.76175 "(917.6544, 18269.203)(918.6614, 9429.082)(919.6626, 2665.9824)(920.66614, 653.4)" 916.6492@14.76175 FindByFormula + 916.6492 14.76175 917.4591@7.11 "(459.73862, 1875.7941)(460.24045, 693.25995)(918.4654, 29582.613)(919.4693, 13119.694)(920.4652, 1903.5312)(921.4658, 574.63403)" 917.4591@7.11 FindByFormula + 917.4591 7.11 917.5337@22.034666 "(918.53973, 3352.9866)(919.542, 1571.0468)(920.5501, 618.51666)" 917.5337@22.034666 FindByFormula + 917.5337 22.034666 918.5316@16.554697 "(919.53735, 10156.422)(920.5417, 5354.036)(921.5406, 2452.5735)(922.5404, 862.4252)(923.5445, 305.32874)" 918.5316@16.554697 FindByFormula + 918.5316 16.554697 918.5439@7.3055 "(917.53455, 499.46497)(918.5336, 282.24)" 918.5439@7.3055 FindByFormula - 918.5439 7.3055 921.0015@24.696499 "(922.0088, 3840.2651)(923.0133, 890.91504)(924.005, 326.54)" 921.0015@24.696499 FindByFormula + 921.0015 24.696499 921.0022@24.8465 "(922.0093, 8725.766)(923.0139, 1784.49)(924.0007, 322.93)" 921.0022@24.8465 FindByFormula + 921.0022 24.8465 921.4626@7.4925 "(920.4579, 670.375)(921.4592, 406.86002)" 921.4626@7.4925 FindByFormula - 921.4626 7.4925 921.5997@6.6270003 "(920.5944, 3445.5535)(921.5976, 1850.1752)(922.6022, 581.064)" 921.5997@6.6270003 FindByFormula - 921.5997 6.6270003 923.4772@7.64525 "(462.7482, 2348.83)(463.2496, 1187.62)(463.7561, 914.44)(924.4818, 5122.08)(925.48584, 2297.8325)(926.48334, 515.1567)(962.4279, 1446.91)(963.4386, 1078.03)(964.4339, 77.27)(946.4618, 8013.64)(947.4721, 4138.81)(948.4744, 1622.94)" 923.4772@7.64525 FindByFormula + 923.4772 7.64525 923.4781@7.6130548 "(922.46906, 6041.2656)(923.4724, 2944.8645)(924.47565, 933.8819)(925.4809, 215.12067)" 923.4781@7.6130548 FindByFormula - 923.4781 7.6130548 924.5045@12.731445 "(925.51074, 2225.9268)(926.5127, 1115.9833)(927.5165, 494.11856)" 924.5045@12.731445 FindByFormula + 924.5045 12.731445 924.5064@12.760266 "(925.51044, 2522.508)(926.51263, 1269.2927)(927.5175, 452.25568)" 924.5064@12.760266 FindByFormula + 924.5064 12.760266 925.5446@6.413 "(463.782, 1892.7351)(464.28165, 1142.49)(464.779, 213.45)" 925.5446@6.413 FindByFormula + 925.5446 6.413 926.5559@8.091333 "(464.2887, 2567.31)(464.78864, 1285.525)(465.29755, 295.715)(927.5603, 4729.605)(928.56415, 2270.4302)(929.55493, 922.23004)" 926.5559@8.091333 FindByFormula + 926.5559 8.091333 926.5595@8.073667 "(925.5496, 1608.1166)(926.5539, 820.96)" 926.5595@8.073667 FindByFormula - 926.5595 8.073667 926.7159@26.932 "(927.7228, 12730.564)(928.7263, 7631.5195)(929.7272, 2330.59)(930.7336, 1306.94)(931.7332, 252.35)" 926.7159@26.932 FindByFormula + 926.7159 26.932 926.7167@25.866999 "(927.7244, 2302.8833)(928.7275, 904.99664)(929.73065, 74.15333)" 926.7167@25.866999 FindByFormula + 926.7167 25.866999 926.7179@26.404783 "(927.7244, 85736.06)(928.72766, 49670.754)(929.7308, 17213.227)(930.7324, 5972.586)(931.736, 2788.195)(932.73553, 948.3833)" 926.7179@26.404783 FindByFormula + 926.7179 26.404783 927.5121@6.423 "(928.5195, 11262.124)(929.51996, 5295.087)(930.5242, 1725.6434)(931.5232, 346.6)" 927.5121@6.423 FindByFormula + 927.5121 6.423 927.5164@1.857125 "(928.52136, 7438.1836)(929.5235, 3636.2212)(930.5221, 1499.5787)" 927.5164@1.857125 FindByFormula + 927.5164 1.857125 927.5403@8.532333 "(926.53436, 1208.9166)(927.5264, 763.0967)" 927.5403@8.532333 FindByFormula - 927.5403 8.532333 928.4799@8.4928 "(927.4743, 1294.51)(928.4764, 702.532)" 928.4799@8.4928 FindByFormula - 928.4799 8.4928 928.4925@7.3605 "(948.47217, 12708.688)(948.9731, 7101.8696)(465.25543, 1543.4099)(465.7548, 842.105)(466.2652, 118.97)(929.4855, 2098.97)(930.4883, 1523.98)(931.5065, 272.98)" 928.4925@7.3605 FindByFormula + 928.4925 7.3605 928.51@22.035 "(929.5178, 5852.7197)(930.52014, 2967.835)(931.5266, 1270.5599)" 928.51@22.035 FindByFormula + 928.51 22.035 929.2678@1.9280001 "(930.2751, 1720.4401)(931.27423, 1268.7233)(932.27313, 1007.36993)(952.26526, 1080.545)(953.263, 745.845)(954.2724, 536.89)" 929.2678@1.9280001 FindByFormula + 929.2678 1.9280001 929.2724@9.636499 "(930.279, 15958.734)(931.2785, 3610.26)(932.28735, 1038.375)" 929.2724@9.636499 FindByFormula + 929.2724 9.636499 930.5188@26.414 "(931.52747, 1982.86)(932.52966, 871.3125)(933.54065, 781.59503)(934.5427, 353.91998)" 930.5188@26.414 FindByFormula + 930.5188 26.414 930.5315@8.589 "(929.53235, 2187.9324)(930.53064, 996.0126)(931.52985, 354.59003)" 930.5315@8.589 FindByFormula - 930.5315 8.589 930.7423@24.0575 "(931.7472, 876.79)(932.7561, 460.68)(933.7428, 531.195)(953.7269, 497.97)(954.7333, 360.0)" 930.7423@24.0575 FindByFormula + 930.7423 24.0575 930.746@26.441 "(931.75256, 2898.7449)(932.75586, 2205.8398)(933.7578, 948.52496)(953.738, 4108.085)(954.74146, 2867.485)" 930.746@26.441 FindByFormula + 930.746 26.441 930.7502@25.115334 "(931.7493, 544.7)(932.754, 359.29)(933.7473, 383.51)(953.7264, 352.76)(954.74286, 361.33002)" 930.7502@25.115334 FindByFormula + 930.7502 25.115334 931.5278@14.6265 "(932.53656, 1798.5701)(933.54285, 1090.095)(934.5477, 907.28)(935.5561, 222.03)" 931.5278@14.6265 FindByFormula + 931.5278 14.6265 932.4814@8.1406 "(465.2329, 1011.66)(465.73642, 492.95004)(931.4752, 1470.8381)(932.47687, 764.884)" 932.4814@8.1406 FindByFormula - 932.4814 8.1406 932.4847@6.937 "(467.254, 776.99)(467.7458, 327.75)(489.2398, 1009.38)(489.7289, 799.46)" 932.4847@6.937 FindByFormula + 932.4847 6.937 933.0061@6.4656663 "(934.00525, 2130.915)(934.5005, 2028.4651)(935.0085, 1109.945)(955.9944, 5395.47)(956.5005, 5665.07)(956.9901, 3290.8)(957.5041, 1876.47)(945.00104, 2442.2966)(945.5066, 2410.39)(945.9973, 1514.1866)(467.5112, 1745.0099)(468.01123, 807.67)" 933.0061@6.4656663 FindByFormula + 933.0061 6.4656663 933.1818@14.7305 "(934.1855, 2101.27)(935.1848, 837.28503)(936.182, 1627.62)(937.1835, 669.56)(972.1466, 665.24)(973.1504, 507.79)" 933.1818@14.7305 FindByFormula + 933.1818 14.7305 934.3407@20.490501 "(935.34814, 2327.1948)(936.34863, 1466.19)(937.3518, 564.78503)" 934.3407@20.490501 FindByFormula + 934.3407 20.490501 934.721@13.973 "(468.36786, 785.015)(468.86115, 364.51)(469.37195, 508.685)" 934.721@13.973 FindByFormula + 934.721 13.973 935.5152@7.184 "(958.50793, 2321.495)(959.5044, 1207.305)" 935.5152@7.184 FindByFormula + 935.5152 7.184 936.4728@9.146999 "(937.47986, 3362.0)(938.48254, 1753.9451)(939.48804, 1140.5)" 936.4728@9.146999 FindByFormula + 936.4728 9.146999 936.5112@13.590333 "(935.5052, 2046.5732)(936.50806, 1139.62)" 936.5112@13.590333 FindByFormula - 936.5112 13.590333 936.5113@13.590333 "(935.5052, 2046.5732)(936.50806, 1139.62)" 936.5113@13.590333 FindByFormula - 936.5113 13.590333 936.5147@13.591 "(937.5227, 1558.5133)(938.5236, 1016.0334)(939.5305, 726.34)(959.50336, 2071.8225)(960.5051, 1410.5249)(961.5065, 1159.29)" 936.5147@13.591 FindByFormula + 936.5147 13.591 937.4415@1.705 "(469.72955, 1845.105)(470.23688, 759.74)(470.7237, 444.27)(938.4374, 1471.22)(939.4386, 400.41)(480.72052, 1638.48)(481.22284, 843.51)(481.71695, 294.275)(976.393, 152.69)" 937.4415@1.705 FindByFormula + 937.4415 1.705 937.529@6.8357496 "(936.5227, 1065.625)(937.5209, 667.82)" 937.529@6.8357496 FindByFormula - 937.529 6.8357496 937.5302@6.9792 "(960.51685, 1783.7101)(961.02234, 568.04)(469.7746, 3755.94)(470.2785, 1067.48)(470.7666, 829.09)(491.76065, 1220.9701)(492.26248, 385.07666)(938.53186, 6227.206)(939.5248, 4412.9326)(940.5313, 1781.2666)(481.09375, 3116.633)(481.5892, 2267.3467)(481.7747, 240.13)(960.5129, 4576.5)(961.5058, 4984.005)(962.50366, 657.17505)" 937.5302@6.9792 FindByFormula + 937.5302 6.9792 938.6717@15.738 "(470.34366, 3616.0369)(470.84042, 320.75668)(471.34363, 872.1667)" 938.6717@15.738 FindByFormula + 938.6717 15.738 938.7486@14.906667 "(470.3823, 2051.4768)(470.88538, 305.08)(471.38486, 872.2067)" 938.7486@14.906667 FindByFormula + 938.7486 14.906667 939.0684@9.046 "(940.07666, 1347.085)(941.08374, 297.575)" 939.0684@9.046 FindByFormula + 939.0684 9.046 939.237@1.9449999 "(470.63046, 728.86)(471.12537, 234.055)(940.24066, 1528.91)(941.24426, 715.03)(942.23846, 909.79004)(962.2235, 931.97)" 939.237@1.9449999 FindByFormula + 939.237 1.9449999 939.3987@8.889999 "(962.3873, 2265.205)(963.38855, 1266.54)" 939.3987@8.889999 FindByFormula + 939.3987 8.889999 939.4423@7.1146665 "(470.72876, 5893.553)(471.23514, 2791.6035)(471.7419, 911.06665)" 939.4423@7.1146665 FindByFormula + 939.4423 7.1146665 939.5187@22.4275 "(940.5276, 877.45496)(941.5293, 283.14)(942.5344, 654.40497)(943.5471, 344.74)(944.5314, 161.43)(978.4924, 250.73)" 939.5187@22.4275 FindByFormula + 939.5187 22.4275 939.5805@7.7630005 "(938.5677, 3164.3398)(939.56683, 1629.4933)(940.57416, 780.585)" 939.5805@7.7630005 FindByFormula - 939.5805 7.7630005 940.5121@15.1535 "(941.5245, 31776.78)(942.5307, 16630.871)(943.5217, 6463.485)" 940.5121@15.1535 FindByFormula + 940.5121 15.1535 940.5137@15.770835 "(941.52216, 2668.381)(942.52655, 1663.7358)(943.5213, 537.66)" 940.5137@15.770835 FindByFormula + 940.5137 15.770835 940.5737@6.697333 "(939.56683, 1091.0)(940.56885, 561.00336)" 940.5737@6.697333 FindByFormula - 940.5737 6.697333 940.6935@26.428226 "(941.7035, 41994.13)(942.7075, 25633.428)(943.70746, 12718.142)(944.71014, 4498.945)" 940.6935@26.428226 FindByFormula + 940.6935 26.428226 941.4002@7.15 "(940.3899, 2339.4001)(941.39325, 1141.42)" 941.4002@7.15 FindByFormula - 941.4002 7.15 941.5263@9.0055 "(940.5196, 2728.6)(941.52014, 1386.15)(942.52045, 512.66003)" 941.5263@9.0055 FindByFormula - 941.5263 9.0055 941.6361@16.4408 "(942.64325, 4018.464)(943.6424, 2239.3418)(944.6489, 683.11)" 941.6361@16.4408 FindByFormula + 941.6361 16.4408 941.6987@26.419527 "(942.7077, 23268.879)(943.70807, 10485.02)(944.7111, 3336.1733)" 941.6987@26.419527 FindByFormula + 941.6987 26.419527 942.2966@1.1500001 "(943.3019, 1159.27)(944.3081, 590.04)" 942.2966@1.1500001 FindByFormula + 942.2966 1.1500001 942.5342@13.703751 "(941.5248, 1085.26)(942.52466, 677.76746)" 942.5342@13.703751 FindByFormula - 942.5342 13.703751 942.539@7.3925 "(472.2822, 791.2967)(472.78296, 244.36334)(943.8052, 5448.0503)(944.5555, 5117.19)(945.5618, 2832.73)" 942.539@7.3925 FindByFormula + 942.539 7.3925 942.5589@7.1456666 "(472.2853, 2646.82)(472.79196, 1571.4834)(473.2843, 1321.56)(495.2812, 590.57)(943.56903, 2360.9866)(944.56885, 2124.97)(945.55664, 1123.595)(946.5747, 163.78)(483.2713, 1170.24)(483.7779, 534.47)(965.554, 1262.0)(966.5565, 1131.79)(967.5334, 879.09)" 942.5589@7.1456666 FindByFormula + 942.5589 7.1456666 942.6937@26.446335 "(943.7, 133983.08)(944.7028, 85099.19)(945.70514, 39416.77)(946.70905, 12813.934)(947.712, 3719.8467)" 942.6937@26.446335 FindByFormula + 942.6937 26.446335 942.8059@4.6665 "(943.8141, 5400.5547)(944.81506, 1418.9199)(945.81274, 825.0)(965.796, 3254.0)(966.8005, 798.97)" 942.8059@4.6665 FindByFormula + 942.8059 4.6665 942.8067@4.0733333 "(943.8154, 7253.78)(944.81805, 1838.4067)(945.81494, 629.6667)(965.79974, 2705.1467)(966.7991, 644.50665)(967.7949, 624.21)" 942.8067@4.0733333 FindByFormula + 942.8067 4.0733333 942.8091@4.6785 "(943.81476, 6919.55)(944.8154, 1515.595)(945.81165, 753.35)(965.7989, 4080.09)(966.7952, 811.37)(967.7993, 450.6)" 942.8091@4.6785 FindByFormula + 942.8091 4.6785 942.8095@6.822 "(943.81525, 1593.7051)(944.82056, 1009.115)(945.8331, 222.51999)" 942.8095@6.822 FindByFormula + 942.8095 6.822 943.4462@6.9893336 "(942.43866, 1033.5734)(943.4431, 485.74332)" 943.4462@6.9893336 FindByFormula - 943.4462 6.9893336 943.5457@22.026001 "(944.55756, 1126.9366)(945.5532, 738.52)" 943.5457@22.026001 FindByFormula + 943.5457 22.026001 943.5673@7.09825 "(472.7919, 277.77)(473.2814, 225.59)(473.7917, 156.63)(944.5693, 2624.5735)(945.5598, 1549.84)" 943.5673@7.09825 FindByFormula + 943.5673 7.09825 943.575@6.6184998 "(944.584, 2498.165)(945.593, 1626.4099)(946.584, 770.14)(966.5631, 3874.13)(967.568, 2833.3699)" 943.575@6.6184998 FindByFormula + 943.575 6.6184998 943.5824@7.0678 "(942.56775, 1043.696)(943.5716, 573.95)(944.57355, 255.978)" 943.5824@7.0678 FindByFormula - 943.5824 7.0678 944.5458@7.539 "(943.5377, 882.0)(944.5344, 495.31)" 944.5458@7.539 FindByFormula - 944.5458 7.539 944.7198@24.717 "(945.7235, 1498.985)(946.73145, 810.21)(947.7241, 633.115)" 944.7198@24.717 FindByFormula + 944.7198 24.717 944.7242@25.143 "(945.7225, 1635.7599)(946.73047, 781.7233)(947.7299, 458.10666)(967.7168, 925.955)(968.71716, 600.8)" 944.7242@25.143 FindByFormula + 944.7242 25.143 945.1683@14.755 "(946.17993, 1436.9451)(947.1754, 683.86)(948.16644, 491.20502)(968.16547, 729.645)" 945.1683@14.755 FindByFormula + 945.1683 14.755 945.7203@25.186 "(946.72876, 831.89)(947.73047, 292.44)" 945.7203@25.186 FindByFormula + 945.7203 25.186 945.7207@26.50325 "(946.73157, 1489.7)(947.7256, 494.47748)" 945.7207@26.50325 FindByFormula + 945.7207 26.50325 946.2904@23.125 "(947.29504, 816.325)(948.29895, 398.815)" 946.2904@23.125 FindByFormula + 946.2904 23.125 946.5847@16.470062 "(947.58997, 69255.98)(948.5953, 36698.8)(949.5981, 12160.767)(950.60974, 3724.0366)(951.6098, 979.3728)" 946.5847@16.470062 FindByFormula + 946.5847 16.470062 946.5857@16.467806 "(947.59, 69565.055)(948.5956, 36745.945)(949.59796, 12200.739)(950.6179, 2282.5022)(951.6221, 754.46674)" 946.5857@16.467806 FindByFormula + 946.5857 16.467806 947.3134@24.263666 "(948.32715, 1756.5167)(949.331, 949.19336)" 947.3134@24.263666 FindByFormula + 947.3134 24.263666 947.4989@6.835 "(474.75854, 6460.045)(475.26062, 3393.1602)(475.76474, 878.125)(948.5018, 1085.06)(949.4836, 247.05)" 947.4989@6.835 FindByFormula + 947.4989 6.835 947.5836@16.472715 "(948.59283, 40902.617)(949.5961, 13410.239)" 947.5836@16.472715 FindByFormula + 947.5836 16.472715 947.6523@27.299 "(474.8331, 6201.075)(475.3324, 337.485)" 947.6523@27.299 FindByFormula + 947.6523 27.299 947.711@25.56675 "(948.72235, 1659.3325)(949.71826, 1028.7175)" 947.711@25.56675 FindByFormula + 947.711 25.56675 949.779@24.5475 "(950.7842, 775.865)(951.79004, 435.61)" 949.779@24.5475 FindByFormula + 949.779 24.5475 949.7848@25.129333 "(950.7902, 947.8366)(951.78735, 491.05334)(952.786, 310.46)" 949.7848@25.129333 FindByFormula + 949.7848 25.129333 950.4633@7.191 "(951.4746, 2010.385)(952.4761, 1422.03)" 950.4633@7.191 FindByFormula + 950.4633 7.191 950.4706@8.478833 "(951.47455, 7754.6626)(952.48016, 4363.197)(953.4714, 2297.92)" 950.4706@8.478833 FindByFormula + 950.4706 8.478833 950.4766@7.8565555 "(949.4661, 883.48)(950.4668, 511.54666)(951.4854, 297.37)" 950.4766@7.8565555 FindByFormula - 950.4766 7.8565555 951.2591@1.9413334 "(952.2703, 1612.3534)(953.274, 1140.59)" 951.2591@1.9413334 FindByFormula + 951.2591 1.9413334 951.5817@14.5665 "(950.5706, 2165.525)(951.5747, 1259.935)(952.5812, 721.29)" 951.5817@14.5665 FindByFormula - 951.5817 14.5665 952.5138@10.153 "(953.52527, 1283.44)(954.5222, 743.29504)" 952.5138@10.153 FindByFormula + 952.5138 10.153 952.5572@2.4235 "(477.2858, 499.69)(477.7886, 302.68)(953.5627, 874.92)(954.5635, 774.08)(488.27835, 732.38)(488.7815, 632.07996)" 952.5572@2.4235 FindByFormula + 952.5572 2.4235 952.6086@17.5595 "(951.60706, 10349.985)(952.6101, 5317.925)(953.6133, 1988.485)(954.6201, 554.965)" 952.6086@17.5595 FindByFormula - 952.6086 17.5595 953.6421@9.981334 "(952.6367, 890.02)(953.63995, 493.49)" 953.6421@9.981334 FindByFormula - 953.6421 9.981334 954.4605@8.122 "(955.4718, 3624.0498)(956.47266, 2052.345)(957.4717, 947.47003)" 954.4605@8.122 FindByFormula + 954.4605 8.122 954.6319@18.702333 "(478.323, 5491.7134)(478.8335, 493.02002)(479.32434, 1058.8933)" 954.6319@18.702333 FindByFormula + 954.6319 18.702333 954.6799@23.9772 "(955.688, 3970.5562)(956.68945, 2447.536)(957.68616, 1908.5759)" 954.6799@23.9772 FindByFormula + 954.6799 23.9772 954.7387@26.442778 "(955.74097, 7284.1304)(956.7437, 4598.0737)" 954.7387@26.442778 FindByFormula + 954.7387 26.442778 955.1473@1.9419999 "(978.13226, 281.09)(979.15027, 152.985)" 955.1473@1.9419999 FindByFormula + 955.1473 1.9419999 955.2625@7.0175 "(478.64026, 2580.455)(479.14087, 1137.48)" 955.2625@7.0175 FindByFormula + 955.2625 7.0175 956.6691@26.426546 "(957.6828, 10512.571)(958.6848, 5944.8906)(959.701, 3738.4546)(960.71014, 1519.815)" 956.6691@26.426546 FindByFormula + 956.6691 26.426546 957.509@8.8975 "(958.52234, 2945.2852)(959.5137, 1424.5801)(960.4979, 772.62)" 957.509@8.8975 FindByFormula + 957.509 8.8975 957.682@26.415833 "(958.68353, 8588.58)(959.7, 5023.9097)(960.70856, 1880.1016)" 957.682@26.415833 FindByFormula + 957.682 26.415833 958.4951@13.552 "(959.50696, 3473.0151)(960.5096, 2403.705)(961.5056, 2312.8252)(962.5059, 1313.93)(963.5066, 795.18)" 958.4951@13.552 FindByFormula + 958.4951 13.552 958.522@6.833 "(480.2692, 1035.13)(480.7763, 565.2)" 958.522@6.833 FindByFormula + 958.522 6.833 958.6245@15.327 "(957.62006, 2831.015)(958.62256, 1512.625)(959.6275, 582.615)" 958.6245@15.327 FindByFormula - 958.6245 15.327 958.6727@15.547 "(480.34335, 3691.195)(480.84924, 514.805)(481.3432, 1017.085)(481.8387, 170.32)(502.3237, 3316.29)(502.83264, 399.055)(503.3285, 913.69995)" 958.6727@15.547 FindByFormula + 958.6727 15.547 958.71@26.4365 "(959.71234, 5024.1875)(960.718, 2724.7249)(961.72095, 1536.0549)(962.7531, 387.46)(983.71454, 46570.242)" 958.71@26.4365 FindByFormula + 958.71 26.4365 960.4788@6.9639997 "(959.47394, 1938.005)(960.47644, 827.0)" 960.4788@6.9639997 FindByFormula - 960.4788 6.9639997 960.4857@6.99 "(481.25214, 10366.785)(481.75256, 5594.8447)(482.2571, 1347.35)(961.4817, 15060.34)(962.4868, 7458.3047)(963.4874, 1830.945)" 960.4857@6.99 FindByFormula + 960.4857 6.99 960.5115@7.1806664 "(959.5083, 1252.39)(960.5103, 686.2233)" 960.5115@7.1806664 FindByFormula - 960.5115 7.1806664 960.7024@26.41275 "(961.7105, 6615.95)(962.7137, 3391.9424)(963.71796, 2231.925)" 960.7024@26.41275 FindByFormula + 960.7024 26.41275 961.3385@24.728668 "(962.3453, 1139.7933)(963.3444, 648.14996)" 961.3385@24.728668 FindByFormula + 961.3385 24.728668 961.4536@9.162666 "(962.4621, 3738.7703)(963.45905, 1416.7799)" 961.4536@9.162666 FindByFormula + 961.4536 9.162666 961.5737@7.0480003 "(960.5679, 1281.845)(961.56494, 728.94)" 961.5737@7.0480003 FindByFormula - 961.5737 7.0480003 961.6956@9.265 "(962.7031, 6767.26)(963.6896, 1875.49)(964.6975, 5586.025)" 961.6956@9.265 FindByFormula + 961.6956 9.265 962.1439@1.9745 "(963.15784, 1194.385)(964.1592, 612.555)(965.162, 278.0)" 962.1439@1.9745 FindByFormula + 962.1439 1.9745 962.483@8.8765 "(961.47815, 1760.855)(962.4813, 956.47)" 962.483@8.8765 FindByFormula - 962.483 8.8765 962.5574@16.479 "(963.56464, 6129.6997)(964.5712, 3431.4124)(965.5715, 1595.8258)(966.5677, 449.65503)" 962.5574@16.479 FindByFormula + 962.5574 16.479 962.7048@15.435333 "(482.35876, 2839.5598)(482.85825, 430.11667)(483.36353, 1135.18)" 962.7048@15.435333 FindByFormula + 962.7048 15.435333 964.5465@8.6119995 "(483.28052, 997.625)(483.78253, 371.02002)(965.54834, 70387.01)(966.55206, 33781.742)(967.5532, 11215.275)(968.5541, 3909.2773)(1003.508, 461.87997)" 964.5465@8.6119995 FindByFormula + 964.5465 8.6119995 965.5192@7.6867504 "(964.51733, 1009.07)(965.51843, 593.14746)" 965.5192@7.6867504 FindByFormula - 965.5192 7.6867504 966.9988@22.081778 "(965.9929, 1188.8134)(966.99426, 287.4989)" 966.9988@22.081778 FindByFormula - 966.9988 22.081778 966.9991@22.0472 "(965.99396, 1298.2058)(966.9943, 333.114)" 966.9991@22.0472 FindByFormula - 966.9991 22.0472 966.9997@26.319666 "(965.99164, 16573.62)(966.9951, 3655.4333)(967.9987, 733.75665)" 966.9997@26.319666 FindByFormula - 966.9997 26.319666 967.0@20.932499 "(965.9931, 2088.085)(966.99585, 507.0625)" 967.0@20.932499 FindByFormula - 967 20.932499 967.0@22.09293 "(965.99207, 1185.65)(966.99445, 304.32568)" 967.0@22.09293 FindByFormula - 967 22.09293 967.0002@20.909399 "(965.9938, 1920.318)(966.9959, 460.38998)" 967.0002@20.909399 FindByFormula - 967.0002 20.909399 967.0003@20.909399 "(965.99365, 1971.068)(966.9958, 474.192)" 967.0003@20.909399 FindByFormula - 967.0003 20.909399 967.0005@22.4335 "(965.99426, 1709.71)(966.99744, 377.63)" 967.0005@22.4335 FindByFormula - 967.0005 22.4335 967.0027@19.730333 "(965.99274, 4228.57)(966.9961, 984.5767)" 967.0027@19.730333 FindByFormula - 967.0027 19.730333 967.0028@20.052 "(965.9944, 5249.315)(966.99866, 1192.285)" 967.0028@20.052 FindByFormula - 967.0028 20.052 967.4496@7.6176662 "(968.45197, 10627.297)(969.4556, 5524.5864)(970.459, 2089.52)" 967.4496@7.6176662 FindByFormula + 967.4496 7.6176662 967.5077@8.047 "(968.5128, 2336.965)(969.5116, 1565.11)" 967.5077@8.047 FindByFormula + 967.5077 8.047 968.5744@9.271999 "(967.56433, 1700.525)(968.5716, 938.335)(969.56433, 409.1)" 968.5744@9.271999 FindByFormula - 968.5744 9.271999 968.7275@26.437063 "(969.73334, 29465.268)(970.7368, 18657.197)(971.73627, 8697.929)(972.73517, 2764.1384)(973.7426, 369.32)(991.72015, 542.50714)" 968.7275@26.437063 FindByFormula + 968.7275 26.437063 968.7286@25.4905 "(969.7341, 8289.635)(970.73816, 5384.505)(971.73755, 2710.92)(972.7349, 936.94)(991.7203, 125.56)" 968.7286@25.4905 FindByFormula + 968.7286 25.4905 969.7325@26.422 "(970.7368, 18068.137)(971.73596, 8554.619)(972.7334, 3074.111)" 969.7325@26.422 FindByFormula + 969.7325 26.422 970.5888@8.3695 "(971.5904, 9610.405)(972.6024, 5560.2197)(973.5953, 3689.68)" 970.5888@8.3695 FindByFormula + 970.5888 8.3695 970.6448@18.441 "(971.6511, 4339.44)(972.6544, 2278.96)(973.64996, 812.03)" 970.6448@18.441 FindByFormula + 970.6448 18.441 970.7234@26.445002 "(971.7337, 39613.21)(972.7342, 23174.248)(973.7409, 12245.939)(974.76044, 7979.1733)" 970.7234@26.445002 FindByFormula + 970.7234 26.445002 971.468@8.0286665 "(486.7437, 903.8)(487.2614, 900.55)(487.7338, 358.33)(972.4787, 2026.7134)(973.4825, 1008.4733)" 971.468@8.0286665 FindByFormula + 971.468 8.0286665 971.4915@8.172501 "(486.75067, 8915.471)(487.25436, 4314.7197)(487.7562, 3316.24)(488.2435, 1037.77)(972.4887, 28587.059)(973.4949, 15502.324)(974.50183, 6562.1553)(975.5036, 1195.1799)(994.4774, 5794.49)(995.4964, 4611.62)" 971.4915@8.172501 FindByFormula + 971.4915 8.172501 971.7285@25.625334 "(972.732, 1438.8267)(973.74274, 1049.9966)" 971.7285@25.625334 FindByFormula + 971.7285 25.625334 972.4621@1.175125 "(973.4708, 5878.167)(974.473, 2732.0396)(975.4786, 1088.3544)(976.47174, 359.49496)(1011.42645, 586.02405)(1012.42706, 462.975)(995.45135, 3563.2864)(996.4546, 1728.0385)(997.4578, 494.6433)" 972.4621@1.175125 FindByFormula + 972.4621 1.175125 972.5301@8.448 "(971.52435, 1280.0901)(972.52313, 809.08496)" 972.5301@8.448 FindByFormula - 972.5301 8.448 972.5895@7.224445 "(487.30615, 5529.8945)(487.80713, 3174.595)(488.3029, 1054.896)(488.80588, 117.5375)(973.6021, 13546.056)(974.60547, 7050.7217)(975.60474, 2227.9712)(976.60297, 478.29572)(977.6264, 327.815)(995.58344, 13515.454)(996.58215, 7999.94)(997.58093, 2561.9224)(998.6063, 303.15)" 972.5895@7.224445 FindByFormula + 972.5895 7.224445 972.602@7.219312 "(971.5921, 12519.438)(972.5951, 6560.7734)(973.5975, 2027.6274)(974.59973, 487.70752)" 972.602@7.219312 FindByFormula - 972.602 7.219312 972.7016@19.281 "(487.35825, 1647.6201)(487.86914, 232.98665)(488.3613, 380.53165)" 972.7016@19.281 FindByFormula + 972.7016 19.281 972.7033@19.751 "(487.35718, 1590.755)(487.86963, 132.67)(488.361, 556.635)" 972.7033@19.751 FindByFormula + 972.7033 19.751 973.5628@7.5175 "(487.7928, 7687.8096)(488.2918, 3986.56)(488.79126, 2211.28)(974.5643, 10135.17)(975.5602, 4653.76)(976.562, 3050.47)(996.5448, 7045.8203)(997.54333, 2399.33)" 973.5628@7.5175 FindByFormula + 973.5628 7.5175 973.5773@7.497667 "(972.56244, 3325.3066)(973.56464, 1773.8368)(974.56464, 724.45)" 973.5773@7.497667 FindByFormula - 973.5773 7.497667 973.7907@26.599499 "(974.79846, 2862.3652)(975.79785, 587.33997)(976.79114, 151.02501)" 973.7907@26.599499 FindByFormula + 973.7907 26.599499 974.9056@3.626 "(975.9137, 531.53503)(976.91705, 181.845)" 974.9056@3.626 FindByFormula + 974.9056 3.626 976.2957@24.263 "(977.3045, 1197.0)(978.3076, 420.78998)(979.30676, 222.595)" 976.2957@24.263 FindByFormula + 976.2957 24.263 976.4712@7.8385 "(975.46326, 1157.905)(976.46594, 749.095)" 976.4712@7.8385 FindByFormula - 976.4712 7.8385 976.4897@7.512 "(977.5029, 2967.2651)(978.50745, 1485.055)(979.5134, 914.42)" 976.4897@7.512 FindByFormula + 976.4897 7.512 976.5712@21.615501 "(977.58167, 1240.775)(978.58435, 688.505)" 976.5712@21.615501 FindByFormula + 976.5712 21.615501 976.5742@20.793499 "(977.58215, 377.985)(978.5856, 202.755)" 976.5742@20.793499 FindByFormula + 976.5742 20.793499 976.7543@9.773334 "(977.7664, 2888.7864)(978.76776, 1035.7567)" 976.7543@9.773334 FindByFormula + 976.7543 9.773334 977.5602@7.1385 "(976.55273, 3313.13)(977.5547, 1836.6799)(978.557, 643.07996)" 977.5602@7.1385 FindByFormula - 977.5602 7.1385 977.5694@7.1635 "(489.78754, 9510.7295)(490.28455, 4944.045)(490.78412, 1289.795)(491.2758, 397.33)(978.5626, 31923.564)(979.5624, 16404.74)(980.5523, 4807.9697)(1000.545, 5848.13)(1001.5243, 4959.83)(1002.5235, 3309.91)" 977.5694@7.1635 FindByFormula + 977.5694 7.1635 977.7436@23.986628 "(978.7573, 2414.8164)(979.7599, 1503.2913)(980.7584, 567.22626)" 977.7436@23.986628 FindByFormula + 977.7436 23.986628 977.9674@8.12 "(978.97705, 587.03)(979.9785, 460.91498)" 977.9674@8.12 FindByFormula + 977.9674 8.12 978.5185@7.4565 "(977.5121, 1690.265)(978.5115, 809.57)" 978.5185@7.4565 FindByFormula - 978.5185 7.4565 978.629@6.68675 "(977.6249, 954.4874)(978.6244, 518.45)" 978.629@6.68675 FindByFormula - 978.629 6.68675 979.5039@7.9714994 "(978.4957, 2108.74)(979.49615, 1107.06)" 979.5039@7.9714994 FindByFormula - 979.5039 7.9714994 979.5531@7.951 "(980.5485, 1792.89)(981.5306, 1326.98)(1018.5168, 655.49)(1019.5016, 355.34)" 979.5531@7.951 FindByFormula + 979.5531 7.951 980.2603@1.1465 "(491.13898, 8403.26)(491.63425, 1763.715)(492.142, 2516.72)" 980.2603@1.1465 FindByFormula + 980.2603 1.1465 980.487@13.579 "(981.4955, 7134.945)(982.4938, 3903.87)(983.5017, 1905.89)" 980.487@13.579 FindByFormula + 980.487 13.579 980.4879@13.676833 "(981.49713, 5609.06)(982.49884, 3157.5652)(983.5032, 1372.9984)(984.49414, 738.20996)" 980.4879@13.676833 FindByFormula + 980.4879 13.676833 980.5092@9.143499 "(981.5094, 6147.0703)(982.5077, 3996.25)(983.50476, 2764.13)" 980.5092@9.143499 FindByFormula + 980.5092 9.143499 980.5672@15.069 "(979.5652, 6054.725)(980.5703, 3149.225)(981.5688, 1041.36)" 980.5672@15.069 FindByFormula - 980.5672 15.069 980.6912@26.490501 "(981.6996, 9962.55)(982.7029, 6457.64)(983.71344, 20778.13)(984.7171, 12224.01)(985.71313, 14739.38)" 980.6912@26.490501 FindByFormula + 980.6912 26.490501 981.2468@9.7975 "(980.2414, 888.225)(981.2299, 480.09)" 981.2468@9.7975 FindByFormula - 981.2468 9.7975 982.0739@13.618333 "(983.0843, 851.62006)(984.0835, 596.7266)(985.0856, 399.82)" 982.0739@13.618333 FindByFormula + 982.0739 13.618333 982.707@23.113998 "(983.71484, 17325.51)(984.7185, 9111.14)(985.7183, 5544.24)" 982.707@23.113998 FindByFormula + 982.707 23.113998 982.7074@24.012253 "(983.7143, 55716.684)(984.7176, 34857.336)(985.7185, 16885.041)(986.71954, 5668.269)(987.7321, 4852.6265)(988.735, 5954.28)(989.7413, 4225.92)" 982.7074@24.012253 FindByFormula + 982.7074 24.012253 982.708@23.59157 "(983.71497, 59569.715)(984.71826, 39299.19)(985.7187, 14740.076)(986.7218, 4978.47)" 982.708@23.59157 FindByFormula + 982.708 23.59157 982.7092@23.1225 "(983.71484, 14305.301)(984.7186, 7051.185)(985.7185, 4841.995)(986.72034, 1062.3501)" 982.7092@23.1225 FindByFormula + 982.7092 23.1225 982.7094@24.38826 "(983.7151, 34362.9)(984.71814, 21543.855)(985.7194, 9517.176)(986.721, 3321.7615)" 982.7094@24.38826 FindByFormula + 982.7094 24.38826 982.7102@24.878166 "(983.7138, 47516.98)(984.7171, 31010.945)(985.7181, 11761.769)(986.7197, 3336.085)" 982.7102@24.878166 FindByFormula + 982.7102 24.878166 983.7068@26.9935 "(984.716, 7110.73)(985.71387, 6195.45)(986.7102, 2516.275)" 983.7068@26.9935 FindByFormula + 983.7068 26.9935 983.7101@26.42805 "(984.718, 36177.477)(985.71643, 20384.541)(986.717, 8008.776)(1007.67975, 284.58002)" 983.7101@26.42805 FindByFormula + 983.7101 26.42805 984.3045@2.5075002 "(985.3125, 4358.27)(986.3153, 2021.83)(987.3153, 832.66)(1023.2595, 1386.54)(1007.2949, 4159.3647)(1008.2961, 1941.485)(1009.3031, 772.99)" 984.3045@2.5075002 FindByFormula + 984.3045 2.5075002 984.3138@9.660999 "(985.3173, 26044.684)(986.3245, 7424.025)" 984.3138@9.660999 FindByFormula + 984.3138 9.660999 984.5738@1.0935 "(493.29358, 1969.9102)(493.8008, 894.85333)(494.2972, 559.39996)(504.29068, 1415.91)(504.78812, 830.20996)" 984.5738@1.0935 FindByFormula + 984.5738 1.0935 984.604@16.76 "(983.5972, 15946.965)(984.60034, 8385.93)(985.60315, 2709.195)(986.6087, 616.945)" 984.604@16.76 FindByFormula - 984.604 16.76 984.6302@1.3376 "(493.32346, 1026.06)(493.8233, 633.83997)(494.3091, 204.59)(985.64014, 2574.5679)(986.6424, 1605.458)(987.638, 546.21)(1023.5836, 248.95502)(1024.5934, 242.75)(1007.6223, 1983.35)(1008.6171, 958.20337)(1009.6281, 486.68668)" 984.6302@1.3376 FindByFormula + 984.6302 1.3376 984.6334@1.2587501 "(493.32425, 1122.75)(493.8228, 623.14)(494.3093, 91.22)(985.64105, 2594.8289)(986.6426, 1583.2737)(987.642, 602.11127)(1023.59766, 444.53333)(1024.6027, 110.753334)(1025.608, 312.55997)(1007.6257, 1384.254)(1008.6248, 683.046)(1009.62244, 306.462)" 984.6334@1.2587501 FindByFormula + 984.6334 1.2587501 984.698@26.435999 "(985.71094, 78911.27)(986.71246, 49566.58)(987.72296, 25317.58)(988.72644, 12339.685)" 984.698@26.435999 FindByFormula + 984.698 26.435999 984.7018@26.8765 "(985.7118, 17410.215)(986.7125, 10251.439)" 984.7018@26.8765 FindByFormula + 984.7018 26.8765 984.702@25.6275 "(985.7114, 4691.05)(986.7135, 2360.9302)(987.7261, 671.15)(988.7331, 140.7)" 984.702@25.6275 FindByFormula + 984.702 25.6275 984.7041@26.456999 "(985.7136, 15953.0625)(986.7148, 8170.7026)" 984.7041@26.456999 FindByFormula + 984.7041 26.456999 984.7115@24.589077 "(985.7192, 7861.258)(986.7208, 1347.0269)" 984.7115@24.589077 FindByFormula + 984.7115 24.589077 984.7117@24.0405 "(985.7195, 8552.6)(986.72125, 2135.725)" 984.7117@24.0405 FindByFormula + 984.7117 24.0405 984.7124@25.026001 "(985.7199, 2995.22)(986.7214, 491.00668)" 984.7124@25.026001 FindByFormula + 984.7124 25.026001 984.7128@23.576668 "(985.7194, 6160.53)(986.7216, 935.56665)" 984.7128@23.576668 FindByFormula + 984.7128 23.576668 985.5408@6.842 "(493.77698, 1929.8899)(494.27124, 1917.0349)(494.77295, 229.92)" 985.5408@6.842 FindByFormula + 985.5408 6.842 985.6328@7.1345 "(984.6254, 1617.1951)(985.6272, 885.59753)" 985.6328@7.1345 FindByFormula - 985.6328 7.1345 985.71@25.0132 "(986.71936, 1832.9539)(987.7296, 840.402)(988.7381, 383.782)" 985.71@25.0132 FindByFormula + 985.71 25.0132 985.7103@24.002249 "(986.71924, 10208.8125)(987.7317, 7186.84)(988.73914, 2989.075)" 985.7103@24.002249 FindByFormula + 985.7103 24.002249 985.7103@26.470167 "(986.71533, 5876.3022)(987.7314, 5270.1484)(988.73846, 2359.8235)(989.7385, 763.155)" 985.7103@26.470167 FindByFormula + 985.7103 26.470167 985.7106@24.688 "(986.71747, 3496.9902)(987.7295, 2349.1152)(988.7352, 865.33496)" 985.7106@24.688 FindByFormula + 985.7106 24.688 986.0341@7.1955 "(494.0243, 2371.26)(494.5366, 1391.575)(495.0346, 712.41003)" 986.0341@7.1955 FindByFormula + 986.0341 7.1955 986.5174@7.4526668 "(987.5212, 4399.2437)(988.52655, 3681.0466)" 986.5174@7.4526668 FindByFormula + 986.5174 7.4526668 986.5306@8.609 "(494.27365, 6602.615)(494.7765, 3331.835)(495.2751, 1021.52997)(987.5321, 345.93)" 986.5306@8.609 FindByFormula + 986.5306 8.609 986.6166@16.173 "(494.31735, 5253.0767)(494.81876, 514.8833)(495.317, 1131.2333)(495.8129, 114.399994)" 986.6166@16.173 FindByFormula + 986.6166 16.173 986.6193@16.039667 "(494.31702, 5932.238)(494.81897, 552.4934)(495.31946, 1327.4767)(495.81775, 126.8875)" 986.6193@16.039667 FindByFormula + 986.6193 16.039667 986.7262@24.17625 "(987.73376, 4237.8125)(988.7417, 2344.235)(989.7475, 1059.965)(990.7431, 225.47)" 986.7262@24.17625 FindByFormula + 986.7262 24.17625 986.7274@24.7155 "(987.73315, 1595.89)(988.74316, 915.56)(989.7488, 390.32)" 986.7274@24.7155 FindByFormula + 986.7274 24.7155 986.9169@7.5025 "(987.9258, 4801.04)(988.9211, 2407.355)" 986.9169@7.5025 FindByFormula + 986.9169 7.5025 987.1201@7.3806667 "(988.12964, 20212.31)(989.1267, 4147.763)" 987.1201@7.3806667 FindByFormula + 987.1201 7.3806667 987.523@7.1806664 "(494.7722, 2274.52)(495.2746, 1077.94)(495.783, 566.07)(988.5307, 4454.5566)(989.5293, 2601.7366)(1010.5162, 3633.89)(1011.5124, 576.37)(1012.5197, 1239.41)" 987.523@7.1806664 FindByFormula + 987.523 7.1806664 987.5285@6.5369997 "(988.5356, 9224.885)(989.53546, 5378.2197)" 987.5285@6.5369997 FindByFormula + 987.5285 6.5369997 987.737@26.4855 "(988.7377, 3911.735)(989.7407, 2092.72)(990.74896, 890.155)" 987.737@26.4855 FindByFormula + 987.737 26.4855 988.4448@8.407 "(987.4363, 823.25)(988.4408, 496.53)" 988.4448@8.407 FindByFormula - 988.4448 8.407 988.7317@25.021 "(989.7406, 635.975)(990.7475, 256.70502)" 988.7317@25.021 FindByFormula + 988.7317 25.021 988.7328@24.058249 "(989.7421, 2697.1025)(990.7455, 1165.0925)" 988.7328@24.058249 FindByFormula + 988.7328 24.058249 99.0178@27.207844 "(100.02482, 3088.5378)(101.025826, 584.92163)(102.026634, 491.42334)" 99.0178@27.207844 FindByFormula + 99.0178 27.207844 99.018@0.7262 "(100.024956, 2486.894)(101.02462, 468.47598)" 99.018@0.7262 FindByFormula + 99.018 0.7262 990.6112@16.383966 "(991.6165, 41426.676)(992.6221, 22910.775)(993.62384, 7833.647)(994.631, 2003.0555)(995.63184, 633.2641)" 990.6112@16.383966 FindByFormula + 990.6112 16.383966 991.7286@24.746002 "(992.739, 3897.766)(993.7409, 2338.0762)(994.7311, 584.8637)" 991.7286@24.746002 FindByFormula + 991.7286 24.746002 991.7297@24.120417 "(992.73785, 4854.1597)(993.74115, 2913.0876)(994.7283, 1151.6674)" 991.7297@24.120417 FindByFormula + 991.7297 24.120417 991.7302@24.433876 "(992.7379, 4264.9673)(993.74036, 2788.5652)(994.72986, 796.12744)" 991.7302@24.433876 FindByFormula + 991.7302 24.433876 992.6678@14.929501 "(993.6742, 789.78)(994.67096, 486.88498)" 992.6678@14.929501 FindByFormula + 992.6678 14.929501 992.707@7.221444 "(993.71265, 26683.625)(994.70984, 2621.1143)(995.7203, 438.8914)(1015.9346, 298.8175)(1016.6817, 826.5534)" 992.707@7.221444 FindByFormula + 992.707 7.221444 992.9058@7.2159996 "(993.9132, 31146.77)(994.9135, 2471.4849)(995.8909, 1576.07)" 992.9058@7.2159996 FindByFormula + 992.9058 7.2159996 993.4522@10.396 "(994.46924, 3503.295)(995.473, 1850.47)(996.4843, 875.35)" 993.4522@10.396 FindByFormula + 993.4522 10.396 994.5794@7.2185 "(995.5778, 32591.945)(996.576, 17852.475)(997.5734, 6719.2324)(998.57745, 2397.6401)(1017.5578, 28216.113)(1018.5574, 16637.908)" 994.5794@7.2185 FindByFormula + 994.5794 7.2185 994.6751@26.428751 "(995.6826, 13071.282)(996.69025, 7875.378)(997.6944, 30846.227)(998.69775, 18683.967)(999.6954, 14676.167)(1000.69684, 6399.3438)(1001.7156, 3648.96)" 994.6751@26.428751 FindByFormula + 994.6751 26.428751 994.9561@4.317 "(995.96497, 3844.8853)(996.97217, 1384.9099)(997.9626, 514.08)" 994.9561@4.317 FindByFormula + 994.9561 4.317 994.9579@4.56675 "(995.9656, 2133.8474)(996.9689, 693.805)(997.9677, 226.44)" 994.9579@4.56675 FindByFormula + 994.9579 4.56675 995.5288@6.973 "(498.77393, 410.9)(499.27005, 295.215)" 995.5288@6.973 FindByFormula + 995.5288 6.973 996.4953@26.605 "(997.5025, 360.78497)(998.50903, 258.055)" 996.4953@26.605 FindByFormula + 996.4953 26.605 996.4969@22.04 "(997.505, 2241.6577)(998.5095, 935.4175)(999.5116, 676.99)(1000.51245, 64.06)" 996.4969@22.04 FindByFormula + 996.4969 22.04 996.5661@1.38 "(997.57324, 2932.375)(998.5735, 1431.78)(1019.5541, 2436.79)(1020.5584, 2174.71)" 996.5661@1.38 FindByFormula + 996.5661 1.38 996.6843@24.376585 "(997.69574, 186500.5)(998.6986, 122228.336)(999.6992, 45905.625)(1000.70026, 11800.655)(1001.71356, 3651.1501)" 996.6843@24.376585 FindByFormula + 996.6843 24.376585 996.6852@27.048 "(997.69336, 17684.47)(998.6966, 11295.115)(999.69495, 6989.235)(1000.69604, 3215.3398)" 996.6852@27.048 FindByFormula + 996.6852 27.048 996.6855@23.853 "(997.69604, 119233.93)(998.699, 78628.58)(999.698, 26726.814)(1000.69916, 8028.58)(1001.7115, 1777.265)" 996.6855@23.853 FindByFormula + 996.6855 23.853 996.6867@26.430286 "(997.6942, 35399.098)(998.69763, 21116.695)(999.69464, 23230.053)(1000.6968, 12002.107)(1001.71796, 15020.309)" 996.6867@26.430286 FindByFormula + 996.6867 26.430286 996.6883@24.372158 "(997.69556, 183461.84)(998.69836, 120769.75)(999.69904, 44858.715)(1000.7002, 11789.606)(1001.713, 3788.1187)" 996.6883@24.372158 FindByFormula + 996.6883 24.372158 996.6889@23.9715 "(997.6957, 115709.41)(998.6991, 76969.83)(999.6974, 26155.65)(1000.69806, 7838.75)(1001.7126, 2910.29)" 996.6889@23.9715 FindByFormula + 996.6889 23.9715 997.103@7.185 "(998.1087, 9321.936)(999.1117, 1325.69)" 997.103@7.185 FindByFormula + 997.103 7.185 997.1428@1.1465001 "(998.155, 1216.5)(999.16, 749.22)(1020.1319, 1220.325)(1021.1268, 802.21)" 997.1428@1.1465001 FindByFormula + 997.1428 1.1465001 997.2657@1.9484999 "(998.26556, 7086.2397)(999.2677, 5184.6396)(1000.26544, 3372.945)(1001.2696, 1576.86)(1036.2358, 1259.295)(1037.2429, 1193.84)(1020.2576, 5923.15)(1021.2648, 3711.97)(1022.2606, 2175.6)" 997.2657@1.9484999 FindByFormula + 997.2657 1.9484999 997.4417@4.329 "(499.7272, 1296.3066)(500.22778, 843.01337)(998.4449, 990.275)(999.4449, 793.9734)(510.71854, 1232.8949)(511.22202, 656.1734)" 997.4417@4.329 FindByFormula + 997.4417 4.329 997.6866@27.028666 "(998.69824, 10788.284)(999.69635, 7054.4263)(1000.6956, 3002.9434)" 997.6866@27.028666 FindByFormula + 997.6866 27.028666 997.6889@26.837 "(998.698, 11950.735)(999.6972, 7797.88)(1000.698, 3443.03)" 997.6889@26.837 FindByFormula + 997.6889 26.837 997.6892@24.749876 "(998.69727, 90607.03)(999.6971, 40200.3)(1000.6981, 13834.358)(1001.7165, 5429.06)" 997.6892@24.749876 FindByFormula + 997.6892 24.749876 997.6892@26.439304 "(998.69666, 19657.383)(999.69525, 12848.079)(1000.69727, 5288.829)" 997.6892@26.439304 FindByFormula + 997.6892 26.439304 997.6898@23.860844 "(998.6977, 39664.87)(999.69543, 19875.793)(1000.69684, 7623.346)(1001.71136, 2256.595)" 997.6898@23.860844 FindByFormula + 997.6898 23.860844 997.6906@24.192999 "(998.6974, 134099.02)(999.6975, 51233.14)(1000.69824, 13461.75)(1001.71484, 4772.095)" 997.6906@24.192999 FindByFormula + 997.6906 24.192999 998.1665@9.6085 "(999.17285, 1195.535)(1000.1892, 490.36)" 998.1665@9.6085 FindByFormula + 998.1665 9.6085 998.6861@26.426498 "(999.6938, 25413.025)(1000.696, 14018.262)(1001.7184, 13972.601)(1002.72614, 7431.755)(1003.7326, 3134.9)" 998.6861@26.426498 FindByFormula + 998.6861 26.426498 998.6869@24.524 "(999.6956, 41876.914)(1000.6974, 8175.735)" 998.6869@24.524 FindByFormula + 998.6869 24.524 998.6877@24.354 "(999.6971, 30982.943)(1000.6984, 7527.939)(1001.7052, 5062.09)(1002.7145, 3622.57)" 998.6877@24.354 FindByFormula + 998.6877 24.354 998.6884@23.868767 "(999.6946, 16931.54)(1000.69556, 7124.26)(1001.7054, 6728.772)(1002.715, 2439.0059)(1003.7257, 362.92)" 998.6884@23.868767 FindByFormula + 998.6884 23.868767 999.5847@7.8146667 "(998.5743, 1710.1068)(999.5752, 1099.5468)(1000.5749, 513.5867)" 999.5847@7.8146667 FindByFormula - 999.5847 7.8146667 999.5858@7.659778 "(998.5763, 1968.3713)(999.5791, 1263.5945)(1000.5751, 597.4411)(1001.5721, 303.9)" 999.5858@7.659778 FindByFormula - 999.5858 7.659778 999.6901@26.415833 "(1000.69727, 10484.813)(1001.7193, 10359.248)(1002.72687, 5332.6)(1003.7344, 3168.715)" 999.6901@26.415833 FindByFormula + 999.6901 26.415833 999.9598@9.2015 "(1000.96625, 7353.0303)(1001.97003, 3936.1147)(1002.9686, 7390.675)(1003.97375, 2574.17)" 999.9598@9.2015 FindByFormula + 999.9598 9.2015 9-chloro-10-hydroxy-hexadecanoic acid "9-chloro-10-hydroxy-hexadecanoic acid [ C16 H31 Cl O3, db=33.23, tgt=, overall=33.23, Lipid ID=LMFA01090044, KEGG ID=C13949, METLIN ID=35919 ]" "(329.18655, 1041.0)(330.17822, 460.575)(351.1632, 765.1)" 9-chloro-10-hydroxy-hexadecanoic acid FindByFormula + C13949 LMFA01090044 328.1757 1.1305001 "9-hydroxy-hexadecan-1,16-dioic acid" "9-hydroxy-hexadecan-1,16-dioic acid [ C16 H30 O5, db=82.77, tgt=, overall=82.77, Lipid ID=LMFA01170057, METLIN ID=74927 ]" "(301.20108, 1874.4767)(302.20465, 337.80334)" "9-hydroxy-hexadecan-1,16-dioic acid" FindByFormula - LMFA01170057 302.2075 10.350167 9-Hydroxyrisperidone "9-Hydroxyrisperidone [ C23 H27 F N4 O3, db=82.60, tgt=, overall=82.60, CAS ID=144598-75-4, KEGG ID=D05339, HMP ID=HMDB15396, METLIN ID=2349 ]" 144598-75-4 "(449.19556, 5250.966)(450.19827, 1266.9076)" 9-Hydroxyrisperidone FindByFormula HMDB15396 + D05339 448.1902 14.494501 9Z-Tritriacontene "9Z-Tritriacontene [ C33 H66, db=68.42, tgt=, overall=68.42, Lipid ID=LMFA11000118, METLIN ID=97531 ]" "(485.50345, 2328.02)(486.50684, 862.89825)" 9Z-Tritriacontene FindByFormula + LMFA11000118 484.501 18.241835 A 77003 "A 77003 [ C44 H58 N8 O6, db=84.75, tgt=, overall=84.75, CAS ID=134878-17-4, KEGG ID=C15660, METLIN ID=71003 ]" 134878-17-4 "(817.4387, 6690.3203)(818.444, 2861.77)(819.43884, 780.745)" A 77003 FindByFormula + C15660 816.435 8.771 Abietic acid "Abietic acid [ C20 H30 O2, db=83.78, tgt=, overall=83.78, CAS ID=514-10-3, Lipid ID=LMPR0104050001, KEGG ID=C06087, HMP ID=, METLIN ID=41215, AGILENTID=7572 ]" 514-10-3 "(303.23196, 8189.66)(304.235, 2000.778)" Abietic acid FindByFormula + C06087 LMPR0104050001 302.2249 15.7036 Abietic acid + 16.203333 "Abietic acid [ C20 H30 O2, db=82.32, tgt=, overall=82.32, CAS ID=514-10-3, Lipid ID=LMPR0104050001, KEGG ID=C06087, HMP ID=, METLIN ID=41215, AGILENTID=7572 ]" 514-10-3 "(303.2322, 3109.1267)(304.23495, 782.68994)" Abietic acid + 16.203333 FindByFormula + C06087 LMPR0104050001 302.2249 16.203333 Abietic acid + 16.203333 :1 "Abietic acid [ C20 H30 O2, db=82.10, tgt=, overall=82.10, CAS ID=514-10-3, Lipid ID=LMPR0104050001, KEGG ID=C06087, HMP ID=, METLIN ID=41215, AGILENTID=7572 ]" 514-10-3 "(303.23206, 3102.45)(304.2352, 741.7666)(305.2404, 369.69)" Abietic acid + 16.203333 :1 FindByFormula + C06087 LMPR0104050001 302.2246 16.203333 Acetoxolone "Acetoxolone [ C32 H48 O5, db=74.28, tgt=, overall=74.28, CAS ID=6277-14-1, KEGG ID=C17734, METLIN ID=71888 ]" 6277-14-1 "(535.33704, 1101.5267)(536.3435, 387.36)(537.3426, 185.31667)" Acetoxolone FindByFormula + C17734 534.3267 20.827665 Acetoxolone + 19.3545 "Acetoxolone [ C32 H48 O5, db=83.23, tgt=, overall=83.23, CAS ID=6277-14-1, KEGG ID=C17734, METLIN ID=71888 ]" 6277-14-1 "(535.34033, 10736.35)(536.3457, 2966.85)(537.34436, 1008.40497)" Acetoxolone + 19.3545 FindByFormula + C17734 534.3344 19.3545 Acetoxolone + 22.0625 "Acetoxolone [ C32 H48 O5, db=77.25, tgt=, overall=77.25, CAS ID=6277-14-1, KEGG ID=C17734, METLIN ID=71888 ]" 6277-14-1 "(535.33734, 3635.3901)(536.3391, 1248.4851)(537.3463, 519.435)" Acetoxolone + 22.0625 FindByFormula + C17734 534.3285 22.0625 Acetyl-maltose "Acetyl-maltose [ C14 H24 O12, db=51.99, tgt=, overall=51.99, KEGG ID=C02130, METLIN ID=65717 ]" "(383.11804, 2715.131)(384.11606, 603.10443)" Acetyl-maltose FindByFormula - C02130 384.1253 1.0675557 Acitretin Ro 23-4750 "Acitretin Ro 23-4750 [ C21 H26 O4, db=61.50, tgt=, overall=61.50, CAS ID=121785-73-7, METLIN ID=626 ]" 121785-73-7 "(365.17148, 1924.649)(366.17224, 608.80554)" Acitretin Ro 23-4750 FindByFormula + 364.1658 12.990666 Aclacinomycin S "Aclacinomycin S [ C36 H45 N O13, db=78.58, tgt=, overall=78.58, KEGG ID=C18635, METLIN ID=72426 ]" "(722.28033, 4687.831)(723.2818, 1659.6343)(724.2725, 761.41046)" Aclacinomycin S FindByFormula + C18635 721.2751 14.764052 Aclacinomycin S + 14.722833 "Aclacinomycin S [ C36 H45 N O13, db=73.46, tgt=, overall=73.46, KEGG ID=C18635, METLIN ID=72426 ]" "(722.28, 5678.0137)(723.2817, 2069.7883)(724.273, 1129.355)" Aclacinomycin S + 14.722833 FindByFormula + C18635 721.2716 14.722833 ACS 67 "ACS 67 [ C32 H38 O5 S3, db=76.92, tgt=, overall=76.92, CAS ID=1088434-86-9, METLIN ID=45573 ]" 1088434-86-9 "(599.1936, 4083.4048)(600.1953, 1184.405)(601.2029, 597.875)" ACS 67 FindByFormula + 598.1841 21.984001 Actinidine "Actinidine [ C10 H13 N, db=98.78, tgt=, overall=98.78, CAS ID=524-03-8, KEGG ID=C09910, METLIN ID=68002 ]" 524-03-8 "(148.11249, 26617.047)(149.1153, 3131.501)(150.11737, 223.53333)" Actinidine FindByFormula + C09910 147.1052 3.8303332 Actinidine + 3.8302221 "Actinidine [ C10 H13 N, db=98.89, tgt=, overall=98.89, CAS ID=524-03-8, KEGG ID=C09910, METLIN ID=68002 ]" 524-03-8 "(148.11243, 26188.85)(149.11517, 3085.8936)(150.11737, 223.53333)" Actinidine + 3.8302221 FindByFormula + C09910 147.1046 3.8302221 Actinorhodin "Actinorhodin [ C32 H26 O14, db=59.43, tgt=, overall=59.43, CAS ID=1397-77-9, KEGG ID=C06691, METLIN ID=63812 ]" 1397-77-9 "(657.12317, 2207.332)(658.123, 800.07404)(659.1158, 565.244)(695.0746, 1203.505)(696.075, 515.78)(697.07263, 305.6)(679.10565, 1767.1)(680.1055, 649.38)(681.1045, 208.94334)" Actinorhodin FindByFormula + C06691 656.1205 0.9822 Adenine "Adenine [ C5 H5 N5, mfg=77.97, db=77.96, tgt=, overall=77.96, CAS ID=73-24-5, Lipid ID=, KEGG ID=C00147, HMP ID=HMDB00034, METLIN ID=85, AGILENTID=29704 ]" 73-24-5 "(136.06157, 17647.125)(137.0594, 570.3367)" Adenine FindByFormula HMDB00034 + C00147 135.0541 0.97066665 Adouetine Z "Adouetine Z [ C42 H45 N5 O5, db=45.19, tgt=, overall=45.19, CAS ID=19542-40-6, KEGG ID=C09995, METLIN ID=68074 ]" 19542-40-6 "(339.6888, 189.48)(340.1914, 150.78)(678.3675, 352.54333)(679.37164, 232.09999)(700.3507, 426.65497)" Adouetine Z FindByFormula + C09995 677.3602 1.3982501 AFMK "AFMK [ C13 H16 N2 O4, mfg=92.32, db=92.06, tgt=, overall=92.19, CAS ID=52450-38-1, KEGG ID=C05642, METLIN ID=44788 ]" 52450-38-1 "(265.1189, 4402.919)(266.12524, 524.0386)(303.0726, 1307.5255)(287.10098, 13697.587)(288.10562, 2305.7393)(289.10956, 201.772)" AFMK FindByFormula + C05642 264.1115 7.2344165 AFMK + 7.2364664 "AFMK [ C13 H16 N2 O4, db=79.55, tgt=, overall=79.55, CAS ID=52450-38-1, KEGG ID=C05642, METLIN ID=44788 ]" 52450-38-1 "(287.10107, 12735.437)(288.1055, 2122.0627)(309.08267, 2365.7983)(310.085, 519.8225)" AFMK + 7.2364664 FindByFormula + C05642 286.0942 7.2364664 agavoside A "agavoside A [ C33 H52 O9, db=89.77, tgt=, overall=89.77, Lipid ID=LMST01080006, KEGG ID=C08885, METLIN ID=57757 ]" "(593.3667, 3040.0974)(594.3694, 1137.3289)(595.3693, 241.65)" agavoside A FindByFormula + C08885 LMST01080006 592.3583 16.336498 AH 23848 "AH 23848 [ C29 H35 N O5, db=78.04, tgt=, overall=78.04, METLIN ID=45635 ]" "(500.2412, 4634.236)(501.24527, 1898.098)(502.24796, 923.43195)(522.22577, 1554.6367)(523.22784, 601.60004)" AH 23848 FindByFormula + 499.2303 11.8592005 Akeboside Stf "Akeboside Stf [ C47 H76 O17, db=62.17, tgt=, overall=62.17, KEGG ID=C17546, METLIN ID=71774 ]" "(935.4966, 4371.88)(936.4995, 1974.2067)(937.49634, 1768.96)(957.4743, 1533.6)(958.4749, 687.49)(959.4696, 661.79)" Akeboside Stf FindByFormula + C17546 934.4969 8.646667 Akeboside Stf + 8.167 "Akeboside Stf [ C47 H76 O17, db=71.88, tgt=, overall=71.88, KEGG ID=C17546, METLIN ID=71774 ]" "(935.4994, 9909.145)(936.4995, 4486.825)(937.48926, 1439.4299)(938.4882, 762.46)" Akeboside Stf + 8.167 FindByFormula + C17546 934.4961 8.167 Akuammicine "Akuammicine [ C20 H22 N2 O2, db=79.27, tgt=, overall=79.27, CAS ID=639-43-0, KEGG ID=C09025, METLIN ID=67361 ]" 639-43-0 "(345.156, 30201.604)(346.15912, 6152.432)(367.13998, 2104.8125)(173.0801, 11698.821)(174.08873, 856.38995)(175.08736, 321.1275)" Akuammicine FindByFormula + C09025 172.0729 9.827778 Ala Leu "Ala Leu [ C9 H18 N2 O3, db=84.57, tgt=, overall=84.57, CAS ID=, HMP ID=HMDB28691, METLIN ID=85607 ]" "(203.13992, 13382.953)(204.13875, 1967.7499)(205.1389, 294.71)(225.1229, 1641.215)(226.1192, 669.29)" Ala Leu FindByFormula HMDB28691 + 202.1319 2.41925 Ala Leu Ala "Ala Leu Ala [ C12 H23 N3 O4, db=62.67, tgt=, overall=62.67, METLIN ID=18225 ]" "(274.17596, 1613.8002)(275.17886, 492.43335)(296.15848, 671.06)" Ala Leu Ala FindByFormula + 273.168 2.2906666 Ala Leu Ala + 3.9255 "Ala Leu Ala [ C12 H23 N3 O4, db=77.38, tgt=, overall=77.38, METLIN ID=18225 ]" "(274.17633, 2672.53)(275.17795, 531.05)(296.1564, 1723.29)" Ala Leu Ala + 3.9255 FindByFormula + 273.1696 3.9255 Ala Leu Gly "Ala Leu Gly [ C11 H21 N3 O4, db=40.40, tgt=, overall=40.40, METLIN ID=21498 ]" "(541.2979, 7372.165)(542.30286, 2883.56)(579.25214, 1110.355)(271.153, 1753.42)" Ala Leu Gly FindByFormula + 270.1464 1.0425 Ala Lys Thr "Ala Lys Thr [ C13 H26 N4 O5, db=51.69, tgt=, overall=51.69, METLIN ID=19322 ]" "(319.1986, 1816.19)(320.19458, 588.555)(357.1447, 164.39)" Ala Lys Thr FindByFormula + 318.1875 20.759499 Ala Lys Val "Ala Lys Val [ C14 H28 N4 O4, db=82.59, tgt=, overall=82.59, METLIN ID=19862 ]" "(317.21796, 4110.3467)(318.22046, 834.5999)" Ala Lys Val FindByFormula + 316.2117 6.679333 Ala Phe "Ala Phe [ C12 H16 N2 O3, mfg=78.25, db=78.21, tgt=, overall=78.23, METLIN ID=23975 ]" "(237.1238, 2733.2515)(238.12459, 470.9086)(259.10562, 555.43005)" Ala Phe FindByFormula + 236.1157 4.2081428 Ala Phe + 4.1653333 "Ala Phe [ C12 H16 N2 O3, db=82.35, tgt=, overall=82.35, METLIN ID=23975 ]" "(237.12347, 4413.3203)(238.1269, 796.81665)" Ala Phe + 4.1653333 FindByFormula + 236.1164 4.1653333 Ala Pro Gln "Ala Pro Gln [ C13 H22 N4 O5, db=79.37, tgt=, overall=79.37, METLIN ID=18776 ]" "(337.1481, 5585.1133)(338.15488, 1004.3399)(339.15677, 413.90332)" Ala Pro Gln FindByFormula + 336.1444 1.1206666 Ala-Nap-OH "Ala-Nap-OH [ C21 H18 N2 O6, db=74.80, tgt=, overall=74.80, CAS ID=1652604-38-0, METLIN ID=65321 ]" 1652604-38-0 "(395.1256, 5206.137)(396.12866, 1287.9078)(397.12625, 646.6395)" Ala-Nap-OH FindByFormula + 394.119 13.879001 Aliskiren "Aliskiren [ C30 H53 N3 O6, db=75.46, tgt=, overall=75.46, CAS ID=173334-57-1, HMP ID=HMDB15387, METLIN ID=85483 ]" 173334-57-1 "(552.39935, 7897.175)(553.39545, 2747.67)(554.4068, 493.60666)(590.3551, 296.145)(574.3855, 2032.79)(575.38916, 752.68)(576.38367, 383.875)" Aliskiren FindByFormula HMDB15387 + 551.3927 20.68375 All trans decaprenyl diphosphate "All trans decaprenyl diphosphate [ C50 H90 O7 P2, db=78.11, tgt=, overall=78.11, HMP ID=HMDB06288, METLIN ID=58382 ]" "(865.622, 17718.1)(866.6301, 8357.876)(867.63745, 2370.318)(868.6561, 588.6172)" All trans decaprenyl diphosphate FindByFormula HMDB06288 + 864.6144 25.701727 Allopurinol "Allopurinol [ C5 H4 N4 O, db=86.20, tgt=, overall=86.20, CAS ID=315-30-0, KEGG ID=D00224, METLIN ID=865 ]" 315-30-0 "(317.049, 697.5883)(159.02818, 248453.11)(160.03082, 16750.496)(181.00958, 4934.3496)(182.01122, 365.737)" Allopurinol FindByFormula + D00224 158.0206 1.0983704 Allopurinol + 1.1930001 "Allopurinol [ C5 H4 N4 O, db=85.28, tgt=, overall=85.28, CAS ID=315-30-0, KEGG ID=D00224, METLIN ID=865 ]" 315-30-0 "(159.02745, 82380.13)(160.0311, 5801.975)(181.0094, 960.56)" Allopurinol + 1.1930001 FindByFormula + D00224 158.0186 1.1930001 Allopurinol-1-ribonucleoside "Allopurinol-1-ribonucleoside [ C10 H12 N4 O5, db=97.45, tgt=, overall=97.45, CAS ID=16220-07-8, METLIN ID=867 ]" 16220-07-8 "(537.1694, 1274.0625)(538.17426, 674.67126)(539.1692, 170.54167)(575.1421, 5717.69)(576.1423, 1474.88)(577.13196, 538.44)(269.0909, 10639.322)(270.0907, 1724.3032)(271.09283, 425.03125)(307.04556, 189296.25)(308.0481, 25762.71)(309.04474, 19257.312)(310.0484, 2603.301)(311.05328, 441.27502)(291.07068, 400545.1)(292.07358, 49470.23)(293.07516, 11679.717)(294.07755, 1392.7927)" Allopurinol-1-ribonucleoside FindByFormula + 268.0818 1.281238 Allopurinol-1-ribonucleoside - 1.2821999 "Allopurinol-1-ribonucleoside [ C10 H12 N4 O5, db=99.04, tgt=, overall=99.04, CAS ID=16220-07-8, METLIN ID=867 ]" 16220-07-8 "(267.073, 29044.877)(268.07584, 3690.5444)(269.07736, 553.90594)" Allopurinol-1-ribonucleoside - 1.2821999 FindByFormula - 268.0804 1.2821999 Allopurinol-1-ribonucleoside - 1.2896667 "Allopurinol-1-ribonucleoside [ C10 H12 N4 O5, db=99.79, tgt=, overall=99.79, CAS ID=16220-07-8, METLIN ID=867 ]" 16220-07-8 "(571.1298, 4358.2314)(572.13153, 1585.123)(573.129, 466.6938)(535.15326, 670.51996)(536.1544, 174.28598)(303.05078, 2300.4624)(304.05692, 434.66248)(305.04886, 1078.8964)(267.07367, 31492.066)(268.0763, 3980.7654)(269.0795, 619.3328)" Allopurinol-1-ribonucleoside - 1.2896667 FindByFormula - 268.0813 1.2896667 Allopurinol-1-ribonucleoside - 2.0965 "Allopurinol-1-ribonucleoside [ C10 H12 N4 O5, db=98.54, tgt=, overall=98.54, CAS ID=16220-07-8, METLIN ID=867 ]" 16220-07-8 "(267.07312, 2011.78)(268.07645, 274.075)(269.0767, 29.82)" Allopurinol-1-ribonucleoside - 2.0965 FindByFormula - 268.0826 2.0965 Allopurinol-1-ribonucleoside + 1.2817141 "Allopurinol-1-ribonucleoside [ C10 H12 N4 O5, db=96.05, tgt=, overall=96.05, CAS ID=16220-07-8, METLIN ID=867 ]" 16220-07-8 "(581.13324, 1938.044)(582.1326, 649.018)(583.13916, 344.015)(603.1105, 577.52)(604.11444, 365.39502)(291.07083, 381849.75)(292.07373, 47577.16)(293.0753, 13218.737)(294.0778, 1592.267)(329.0275, 918.0283)(330.02646, 101.885)(313.0535, 4355.386)(314.05298, 718.81006)(315.04645, 127.2625)" Allopurinol-1-ribonucleoside + 1.2817141 FindByFormula + 290.0624 1.2817141 Allopurinol-1-ribonucleoside + 1.2825907 "Allopurinol-1-ribonucleoside [ C10 H12 N4 O5, mfg=96.27, db=98.45, tgt=, overall=49.22, CAS ID=16220-07-8, METLIN ID=867 ]" 16220-07-8 "(581.1339, 1200.0514)(582.13464, 383.11002)(583.1367, 208.11249)(603.1134, 507.4625)(604.1189, 142.6075)(291.0702, 436211.8)(292.0732, 52935.11)(293.0742, 14905.524)(294.07642, 1940.1487)(329.02637, 1251.81)(330.02606, 219.7)(313.05243, 4008.3325)(314.05573, 474.12125)(315.0406, 290.09)" Allopurinol-1-ribonucleoside + 1.2825907 FindByFormula + 290.0608 1.2825907 Allopurinol-1-ribonucleoside + 1.2959999 "Allopurinol-1-ribonucleoside [ C10 H12 N4 O5, db=96.43, tgt=, overall=96.43, CAS ID=16220-07-8, METLIN ID=867 ]" 16220-07-8 "(581.1376, 2091.77)(582.1404, 564.235)(583.1427, 265.48)(603.1118, 497.425)(604.1142, 480.04)(291.07086, 376517.2)(292.07367, 46889.586)(293.07523, 11540.736)(294.07666, 1299.5024)(329.02557, 900.24335)(330.0355, 89.39)(313.05307, 3938.4424)(314.05463, 625.41)(315.05896, 61.84)" Allopurinol-1-ribonucleoside + 1.2959999 FindByFormula + 290.0637 1.2959999 Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ (Pectenoxanthin) "Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ (Pectenoxanthin) [ C40 H52 O2, db=63.53, tgt=, overall=63.53, Lipid ID=LMPR01070053, METLIN ID=41317 ]" "(563.39185, 2564.12)(564.3944, 886.45996)" Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxanthin)/ (Pectenoxanthin) FindByFormula - LMPR01070053 564.3953 24.036 Allyxycarb "Allyxycarb [ C16 H22 N2 O2, db=69.05, tgt=, overall=69.05, CAS ID=6392-46-7, KEGG ID=C18947, METLIN ID=72707 ]" 6392-46-7 "(275.1755, 630.7675)(297.1578, 3330.9648)(298.15765, 845.64996)" Allyxycarb FindByFormula + C18947 274.1679 10.3949995 Alnustone "Alnustone [ C19 H18 O, db=80.77, tgt=, overall=80.77, CAS ID=33457-62-4, HMP ID=HMDB31664, METLIN ID=87844 ]" 33457-62-4 "(263.14188, 1462.2874)(264.14496, 301.3125)(285.12155, 572.37)(286.1177, 47.03)" Alnustone FindByFormula HMDB31664 + 262.1357 7.1637497 "alpha,alpha'-diethyl-3,4,4'-stilbenetriol" "alpha,alpha'-diethyl-3,4,4'-stilbenetriol [ C18 H20 O3, db=59.08, tgt=, overall=59.08, Lipid ID=LMPK13090023, KEGG ID=C14740, METLIN ID=53250 ]" "(307.13135, 3067.7852)(308.13934, 843.6)(309.1237, 459.535)" "alpha,alpha'-diethyl-3,4,4'-stilbenetriol" FindByFormula + C14740 LMPK13090023 306.1248 1.5304999 alpha-Antiarin "alpha-Antiarin [ C29 H42 O11, db=79.77, tgt=, overall=79.77, CAS ID=23605-05-2, KEGG ID=C08847, METLIN ID=67223 ]" 23605-05-2 "(567.2813, 33868.27)(568.2831, 13564.24)(569.28534, 6535.318)(570.28284, 1884.5554)" alpha-Antiarin FindByFormula + C08847 566.2736 18.623932 alpha-Antiarin + 7.441334 "alpha-Antiarin [ C29 H42 O11, mfg=78.26, db=78.24, tgt=, overall=78.25, CAS ID=23605-05-2, KEGG ID=C08847, METLIN ID=67223 ]" 23605-05-2 "(567.2825, 5152.645)(568.2863, 1664.0817)(569.2842, 738.15)" alpha-Antiarin + 7.441334 FindByFormula + C08847 566.2789 7.441334 alpha-hydroxy Farnesyl Phosphonic Acid "alpha-hydroxy Farnesyl Phosphonic Acid [ C15 H27 O4 P, db=96.56, tgt=, overall=96.56, CAS ID=148796-53-6, METLIN ID=63021 ]" 148796-53-6 "(605.3334, 773.305)(303.1721, 12464.812)(304.17554, 2423.632)(305.1775, 601.985)(325.15454, 1099.3575)(326.1578, 1181.59)" alpha-hydroxy Farnesyl Phosphonic Acid FindByFormula + 302.1666 8.4618 alpha-Ionol O-[arabinosyl-(1-6)-glucoside] "alpha-Ionol O-[arabinosyl-(1-6)-glucoside] [ C24 H40 O10, db=63.80, tgt=, overall=63.80, CAS ID=, HMP ID=HMDB38732, METLIN ID=93385 ]" "(489.26715, 1378.34)(490.2641, 393.215)(491.2623, 312.96)(511.2494, 1695.09)(512.246, 319.47)(513.2532, 44.29)" alpha-Ionol O-[arabinosyl-(1-6)-glucoside] FindByFormula HMDB38732 + 488.2589 6.2445 alpha-linolenoyl-EA "alpha-linolenoyl-EA [ C20 H35 N O2, db=79.69, tgt=, overall=79.69, CAS ID=57086-93-8, Lipid ID=LMFA08040007, METLIN ID=36742 ]" 57086-93-8 "(322.2743, 2688.5151)(323.27805, 735.42)" alpha-linolenoyl-EA FindByFormula + LMFA08040007 321.268 20.523 AM1235 "AM1235 [ C24 H21 F N2 O3, db=68.93, tgt=, overall=68.93, CAS ID=335161-27-8, METLIN ID=85063 ]" 335161-27-8 "(427.1415, 5246.5425)(428.1418, 1333.5327)" AM1235 FindByFormula + 426.1375 11.303454 Ambonane "Ambonane [ C19 H16 O5, db=82.99, tgt=, overall=82.99, Lipid ID=LMPK12070038, METLIN ID=48126 ]" "(323.0918, 3646.7798)(324.0948, 726.98)" Ambonane FindByFormula - LMPK12070038 324.0989 10.441 Amlaic acid "Amlaic acid [ C27 H24 O19, db=46.64, tgt=, overall=46.64, CAS ID=17278-02-3, HMP ID=HMDB36349, METLIN ID=91493 ]" 17278-02-3 "(675.0781, 707.585)(676.09155, 440.655)(697.07336, 676.8)" Amlaic acid FindByFormula HMDB36349 + 674.0779 11.84 Amlodipine "Amlodipine [ C20 H25 Cl N2 O5, db=95.39, tgt=, overall=95.39, CAS ID=88150-42-9, KEGG ID=C06825, HMP ID=HMDB05018, METLIN ID=955 ]" 88150-42-9 "(431.1353, 6068.395)(432.1368, 1299.2849)(433.1322, 2245.9749)(434.13593, 528.2)" Amlodipine FindByFormula HMDB05018 + C06825 430.1243 9.738 Amlodipine + 9.746 "Amlodipine [ C20 H25 Cl N2 O5, db=85.20, tgt=, overall=85.20, CAS ID=88150-42-9, KEGG ID=C06825, HMP ID=HMDB05018, METLIN ID=955 ]" 88150-42-9 "(409.15662, 1705.3301)(410.15085, 451.57)(411.1458, 509.295)(431.13556, 6905.85)(432.13727, 1544.26)(433.13205, 2611.9248)" Amlodipine + 9.746 FindByFormula HMDB05018 + C06825 408.145 9.746 Ammothamnidin "Ammothamnidin [ C25 H28 O5, db=85.79, tgt=, overall=85.79, Lipid ID=LMPK12120121, METLIN ID=51925 ]" "(407.1869, 3011.662)(408.18854, 1054.7521)(409.18878, 216.26201)" Ammothamnidin FindByFormula - LMPK12120121 408.1943 22.8148 Ammothamnine "Ammothamnine [ C15 H24 N2 O2, db=86.03, tgt=, overall=86.03, CAS ID=16837-52-8, KEGG ID=C10749, METLIN ID=68548 ]" 16837-52-8 "(265.19122, 6890.625)(266.1936, 1175.6067)" Ammothamnine FindByFormula + C10749 264.1833 2.9428332 Ammothamnine + 2.9405713 "Ammothamnine [ C15 H24 N2 O2, db=84.81, tgt=, overall=84.81, CAS ID=16837-52-8, KEGG ID=C10749, METLIN ID=68548 ]" 16837-52-8 "(265.1915, 6232.6216)(266.19354, 1085.9614)" Ammothamnine + 2.9405713 FindByFormula + C10749 264.1837 2.9405713 Amorphigenin O-glucoside "Amorphigenin O-glucoside [ C29 H32 O12, db=54.47, tgt=, overall=54.47, Lipid ID=LMPK12060002, METLIN ID=48015 ]" "(573.199, 2956.3733)(574.2015, 1290.2201)(575.209, 1060.5167)" Amorphigenin O-glucoside FindByFormula + LMPK12060002 572.1939 16.768 AMP "AMP [ C10 H14 N5 O7 P, db=81.68, tgt=, overall=81.68, CAS ID=61-19-8, Lipid ID=, KEGG ID=C00020, HMP ID=HMDB00045, METLIN ID=34478, AGILENTID=226 ]" 61-19-8 "(717.1172, 378.29)(348.07172, 5846.386)(349.07156, 931.2991)(350.07016, 358.59)(386.0295, 3597.6785)(387.02454, 1212.165)(388.02136, 643.83)(370.05246, 2855.011)(371.04916, 590.2246)(372.0535, 249.295)" AMP FindByFormula HMDB00045 + C00020 347.0639 0.99230766 AMP + 1.0677999 "AMP [ C10 H14 N5 O7 P, db=85.81, tgt=, overall=85.81, CAS ID=61-19-8, Lipid ID=, KEGG ID=C00020, HMP ID=HMDB00045, METLIN ID=34478, AGILENTID=226 ]" 61-19-8 "(348.0713, 8023.486)(349.07404, 1576.6221)(350.07187, 418.06665)(386.02966, 4842.6)(387.02466, 1157.4801)(388.0216, 597.79)(370.05322, 4226.315)(371.0515, 681.6401)" AMP + 1.0677999 FindByFormula HMDB00045 + C00020 347.0653 1.0677999 Ampeloside Bf2 "Ampeloside Bf2 [ C45 H76 O21, db=81.17, tgt=, overall=81.17, CAS ID=118543-10-5, HMP ID=HMDB31880, METLIN ID=87997 ]" 118543-10-5 "(975.47705, 3354.2246)(976.4813, 2107.2356)(977.48773, 923.68)" Ampeloside Bf2 FindByFormula HMDB31880 + 974.471 13.683572 Amphibine B "Amphibine B [ C39 H47 N5 O5, db=78.88, tgt=, overall=78.88, CAS ID=38541-74-1, KEGG ID=C09998, METLIN ID=68077 ]" 38541-74-1 "(666.3675, 23211.8)(667.3731, 8979.124)(668.37555, 2144.786)(669.38086, 547.90466)" Amphibine B FindByFormula + C09998 665.3588 24.211647 Amphotericin B "Amphotericin B [ C47 H73 N O17, db=54.06, tgt=, overall=54.06, CAS ID=1397-89-3, Lipid ID=LMPK06000002, KEGG ID=C06573, HMP ID=HMDB14819, METLIN ID=1029 ]" 1397-89-3 "(922.4773, 1839.3068)(923.4807, 961.50006)" Amphotericin B FindByFormula HMDB14819 - C06573 LMPK06000002 923.4853 8.968667 "Anandamide (20:2, n-6)" "Anandamide (20:2, n-6) [ C22 H41 N O2, db=48.81, tgt=, overall=48.81, Lipid ID=LMFA08040002, METLIN ID=36738 ]" "(374.30234, 1297.6151)(375.3007, 481.13004)" "Anandamide (20:2, n-6)" FindByFormula + LMFA08040002 373.2953 19.351667 "Anandamide (20:2, n-6) + 19.365143" "Anandamide (20:2, n-6) [ C22 H41 N O2, db=61.39, tgt=, overall=61.39, Lipid ID=LMFA08040002, METLIN ID=36738 ]" "(374.30322, 1016.6229)(375.30475, 409.77145)" "Anandamide (20:2, n-6) + 19.365143" FindByFormula + LMFA08040002 373.2977 19.365143 "Anandamide (20:l, n-9)" "Anandamide (20:l, n-9) [ C22 H43 N O2, db=75.82, tgt=, overall=75.82, CAS ID=, Lipid ID=LMFA08040010, METLIN ID=3722 ]" "(376.31848, 1612.9457)(377.32306, 498.72446)" "Anandamide (20:l, n-9)" FindByFormula + LMFA08040010 375.3111 18.566668 "Angolensic acid, methyl ester" "Angolensic acid, methyl ester [ C27 H34 O7, db=71.37, tgt=, overall=71.37, CAS ID=2629-14-3, METLIN ID=43664 ]" 2629-14-3 "(469.22318, 7073.467)(470.22678, 1945.1783)(471.23364, 1353.405)" "Angolensic acid, methyl ester" FindByFormula - 470.2314 11.2545 "Angolensic acid, methyl ester - 10.9915" "Angolensic acid, methyl ester [ C27 H34 O7, db=92.50, tgt=, overall=92.50, CAS ID=2629-14-3, METLIN ID=43664 ]" 2629-14-3 "(469.22363, 3525.98)(470.2273, 953.6175)(471.23102, 345.0)" "Angolensic acid, methyl ester - 10.9915" FindByFormula - 470.2283 10.9915 "Angolensic acid, methyl ester - 11.2074995" "Angolensic acid, methyl ester [ C27 H34 O7, db=77.23, tgt=, overall=77.23, CAS ID=2629-14-3, METLIN ID=43664 ]" 2629-14-3 "(469.22427, 5942.4146)(470.2279, 1595.2933)" "Angolensic acid, methyl ester - 11.2074995" FindByFormula - 470.232 11.2074995 Angoletin "Angoletin [ C18 H20 O4, db=82.37, tgt=, overall=82.37, CAS ID=76444-55-8, Lipid ID=LMPK12120491, KEGG ID=, HMP ID=, METLIN ID=52294, AGILENTID=29338 ]" 76444-55-8 "(623.2581, 947.20996)(624.2654, 402.12332)(625.2585, 69.37)(301.14417, 7066.742)(302.14456, 933.05597)(303.1475, 220.26666)(339.10016, 572.295)(323.1248, 4074.5032)(324.12775, 843.22675)" Angoletin FindByFormula + LMPK12120491 300.1367 1.2521666 Angustine "Angustine [ C20 H15 N3 O, db=75.53, tgt=, overall=75.53, CAS ID=40041-96-1, KEGG ID=C09032, METLIN ID=67367 ]" 40041-96-1 "(314.12912, 2489.2427)(315.1274, 567.235)(336.1078, 831.41)" Angustine FindByFormula + C09032 313.1208 1.59925 Antanapeptin C "Antanapeptin C [ C41 H64 N4 O8, mfg=54.66, db=54.64, tgt=, overall=54.65, METLIN ID=65434 ]" "(741.4762, 7575.4736)(742.4779, 3433.371)(743.476, 1819.3451)(744.4778, 192.5675)" Antanapeptin C FindByFormula + 740.4671 18.159624 Antanapeptin C + 18.1305 "Antanapeptin C [ C41 H64 N4 O8, db=53.38, tgt=, overall=53.38, METLIN ID=65434 ]" "(741.4765, 9132.729)(742.4799, 4082.1484)(743.4771, 2752.245)(744.4766, 225.15)" Antanapeptin C + 18.1305 FindByFormula + 740.4676 18.1305 Anthemis glycoside B "Anthemis glycoside B [ C34 H41 N O17, db=23.76, tgt=, overall=23.76, CAS ID=89354-49-4, KEGG ID=C08327, METLIN ID=66906 ]" 89354-49-4 "(758.2289, 5119.835)(759.24774, 1278.85)(760.2425, 1721.57)" Anthemis glycoside B FindByFormula + C08327 757.2275 9.6445 Antibiotic JI-20A "Antibiotic JI-20A [ C19 H39 N5 O9, db=52.30, tgt=, overall=52.30, CAS ID=51846-97-0, KEGG ID=C17704, METLIN ID=71867 ]" 51846-97-0 "(252.63847, 1402.095)(253.13895, 512.73)(504.26614, 3792.2166)(505.2749, 1341.6)(506.2679, 337.58334)(526.2538, 323.13)" Antibiotic JI-20A FindByFormula + C17704 503.2581 10.298 Antillatoxin B (red color) "Antillatoxin B (red color) [ C33 H47 N3 O5, db=74.68, tgt=, overall=74.68, METLIN ID=65429 ]" "(564.34436, 1733.5836)(565.3472, 673.5079)" Antillatoxin B (red color) FindByFormula - 565.3496 25.462217 antioside "antioside [ C29 H44 O10, db=70.39, tgt=, overall=70.39, Lipid ID=LMST01120016, KEGG ID=C08848, METLIN ID=57785 ]" "(551.2881, 4448.2646)(552.2919, 1357.38)" antioside FindByFormula - C08848 LMST01120016 552.2958 8.1715 Antrafenine "Antrafenine [ C30 H26 F6 N4 O2, db=36.28, tgt=, overall=36.28, CAS ID=55300-30-6, HMP ID=HMDB15488, METLIN ID=85513 ]" 55300-30-6 "(611.1844, 1099.1583)(612.1812, 722.1333)(613.1825, 199.05)" Antrafenine FindByFormula HMDB15488 + 610.1772 26.046167 Apicidin "Apicidin [ C34 H49 N5 O6, db=57.42, tgt=, overall=57.42, CAS ID=183506-66-3, METLIN ID=96431 ]" 183506-66-3 "(646.3598, 3542.383)(647.3612, 1914.29)" Apicidin FindByFormula + 645.3537 1.0706667 Apiosylglucosyl 4-hydroxybenzoate "Apiosylglucosyl 4-hydroxybenzoate [ C18 H24 O12, db=62.64, tgt=, overall=62.64, CAS ID=223261-31-2, HMP ID=HMDB35318, METLIN ID=90620 ]" 223261-31-2 "(455.1176, 4191.8726)(456.1227, 1139.94)" Apiosylglucosyl 4-hydroxybenzoate FindByFormula HMDB35318 + 454.1103 6.611 Apiosylglucosyl 4-hydroxybenzoate + 6.558666 "Apiosylglucosyl 4-hydroxybenzoate [ C18 H24 O12, db=66.61, tgt=, overall=66.61, CAS ID=223261-31-2, HMP ID=HMDB35318, METLIN ID=90620 ]" 223261-31-2 "(455.11768, 4981.7866)(456.121, 1373.25)" Apiosylglucosyl 4-hydroxybenzoate + 6.558666 FindByFormula HMDB35318 + 454.1102 6.558666 Arachidonic Acid-biotin "Arachidonic Acid-biotin [ C35 H58 N4 O3 S, db=88.09, tgt=, overall=88.09, METLIN ID=45063 ]" "(637.41266, 3792.145)(638.4154, 1248.835)(639.4105, 513.405)" Arachidonic Acid-biotin FindByFormula + 636.4089 12.799999 Araliacerebroside "Araliacerebroside [ C40 H77 N O10, db=58.90, tgt=, overall=58.90, CAS ID=, HMP ID=HMDB33621, METLIN ID=89421 ]" "(754.5433, 1403.175)(755.5459, 931.69)" Araliacerebroside FindByFormula HMDB33621 + 753.5361 26.439 Aralionine A "Aralionine A [ C34 H38 N4 O5, db=47.55, tgt=, overall=47.55, CAS ID=21761-48-8, KEGG ID=C09999, METLIN ID=68078 ]" 21761-48-8 "(583.2913, 5044.17)(605.2732, 4280.51)(606.2755, 1811.405)" Aralionine A FindByFormula + C09999 582.2847 6.575 Arbutin "Arbutin [ C12 H16 O7, db=98.17, tgt=, overall=98.17, CAS ID=497-76-7, KEGG ID=C06186, HMP ID=HMDB29943, METLIN ID=43989 ]" 497-76-7 "(295.0794, 19048.615)(296.08276, 2811.03)(297.08325, 360.685)" Arbutin FindByFormula HMDB29943 + C06186 294.0719 3.7765 Archangelicin "Archangelicin [ C24 H26 O7, db=74.07, tgt=, overall=74.07, CAS ID=2607-56-9, KEGG ID=C09116, METLIN ID=67440 ]" 2607-56-9 "(427.1754, 2987.577)(428.18167, 803.4766)" Archangelicin FindByFormula + C09116 426.1685 15.697333 Archangelicin + 15.702999 "Archangelicin [ C24 H26 O7, db=73.72, tgt=, overall=73.72, CAS ID=2607-56-9, KEGG ID=C09116, METLIN ID=67440 ]" 2607-56-9 "(427.1754, 3505.875)(428.1812, 1021.07996)" Archangelicin + 15.702999 FindByFormula + C09116 426.1724 15.702999 Arg Arg Lys "Arg Arg Lys [ C18 H38 N10 O4, mfg=63.52, db=63.38, tgt=, overall=63.45, METLIN ID=16563 ]" "(459.31598, 1023.514)(460.31894, 381.422)" Arg Arg Lys FindByFormula + 458.3089 24.8414 Arg Arg Met "Arg Arg Met [ C17 H35 N9 O4 S, db=90.81, tgt=, overall=90.81, METLIN ID=18689 ]" "(460.24478, 21352.902)(461.246, 4834.7217)(462.24762, 935.89044)" Arg Arg Met FindByFormula - 461.2509 7.470951 Arg Arg Trp "Arg Arg Trp [ C23 H36 N10 O4, db=74.05, tgt=, overall=74.05, METLIN ID=20154 ]" "(539.28015, 5433.6304)(540.28735, 2118.67)(541.29224, 443.31)" Arg Arg Trp FindByFormula + 538.2714 6.8094997 Arg Arg Trp - 7.360428 "Arg Arg Trp [ C23 H36 N10 O4, db=82.38, tgt=, overall=82.38, METLIN ID=20154 ]" "(515.28564, 4612.739)(516.2856, 1530.3057)(517.2777, 355.49567)" Arg Arg Trp - 7.360428 FindByFormula - 516.2933 7.360428 Arg Arg Trp - 7.38225 "Arg Arg Trp [ C23 H36 N10 O4, db=80.90, tgt=, overall=80.90, METLIN ID=20154 ]" "(515.2866, 3387.2937)(516.2852, 1163.4288)(517.2827, 238.474)" Arg Arg Trp - 7.38225 FindByFormula - 516.2956 7.38225 Arg Arg Tyr "Arg Arg Tyr [ C21 H35 N9 O5, db=82.19, tgt=, overall=82.19, METLIN ID=15792 ]" "(494.28247, 2104.9448)(495.28888, 683.995)(496.2909, 195.275)" Arg Arg Tyr FindByFormula + 493.2748 11.537 Arg Asn Ser "Arg Asn Ser [ C13 H25 N7 O6, db=78.73, tgt=, overall=78.73, METLIN ID=19610 ]" "(374.1782, 2250.1072)(375.18094, 452.93143)(376.17822, 201.548)" Arg Asn Ser FindByFormula - 375.1858 8.573857 Arg Asn Ser - 8.472333 "Arg Asn Ser [ C13 H25 N7 O6, db=84.39, tgt=, overall=84.39, METLIN ID=19610 ]" "(374.1797, 4392.61)(375.18265, 800.25665)" Arg Asn Ser - 8.472333 FindByFormula - 375.1866 8.472333 Arg Asn Ser - 8.50875 "Arg Asn Ser [ C13 H25 N7 O6, db=82.36, tgt=, overall=82.36, METLIN ID=19610 ]" "(374.17917, 3582.2888)(375.18243, 719.6838)" Arg Asn Ser - 8.50875 FindByFormula - 375.1865 8.50875 Arg Glu Leu "Arg Glu Leu [ C17 H32 N6 O6, db=98.01, tgt=, overall=98.01, METLIN ID=15958 ]" "(417.24622, 16077.857)(418.24847, 3731.3162)(419.2503, 688.0174)(455.19766, 877.93427)(456.2026, 221.22417)(439.2275, 4384.6323)(440.22888, 993.0391)(441.22867, 205.40384)(209.12607, 7616.1533)(210.12703, 1124.3885)" Arg Glu Leu FindByFormula + 208.1195 3.1642306 Arg His Gly "Arg His Gly [ C14 H24 N8 O4, mfg=76.18, db=79.11, tgt=, overall=39.56, METLIN ID=22667 ]" "(391.18146, 8080.805)(392.18634, 1630.71)(196.0941, 239.715)" Arg His Gly FindByFormula + 195.0872 10.423 Arg His Lys "Arg His Lys [ C18 H33 N9 O4, db=87.66, tgt=, overall=87.66, METLIN ID=16908 ]" "(462.25668, 19664.166)(463.2601, 4625.802)(464.25684, 1116.5441)(500.21118, 3127.7349)(501.21088, 670.2375)(484.23926, 16607.027)(485.24365, 3817.1003)(486.23807, 1155.165)" Arg His Lys FindByFormula + 461.2498 7.505833 Arg Leu Val "Arg Leu Val [ C17 H34 N6 O4, db=79.71, tgt=, overall=79.71, METLIN ID=15691 ]" "(387.2706, 2829.2148)(388.2713, 628.56)(389.2737, 273.99)(409.2507, 281.25)" Arg Leu Val FindByFormula + 386.2632 2.586 Arg Leu Val + 2.7189999 "Arg Leu Val [ C17 H34 N6 O4, db=82.98, tgt=, overall=82.98, METLIN ID=15691 ]" "(387.2717, 4008.63)(388.2717, 1124.745)(389.2661, 51.72)(409.2536, 1071.335)(410.2465, 191.76)" Arg Leu Val + 2.7189999 FindByFormula + 386.2649 2.7189999 Arg Leu Val + 2.7189999 :1 "Arg Leu Val [ C17 H34 N6 O4, db=68.13, tgt=, overall=68.13, METLIN ID=15691 ]" "(387.27155, 3911.145)(388.27115, 1112.1901)(409.2565, 1861.42)" Arg Leu Val + 2.7189999 :1 FindByFormula + 386.266 2.7189999 Arg Leu Val + 3.1493332 "Arg Leu Val [ C17 H34 N6 O4, db=84.19, tgt=, overall=84.19, METLIN ID=15691 ]" "(387.27206, 2310.8)(388.2731, 699.2033)(389.274, 89.88)(409.252, 202.51)" Arg Leu Val + 3.1493332 FindByFormula + 386.2637 3.1493332 Arg Phe Ala + 9.4182005 "Arg Phe Ala [ C18 H28 N6 O4, mfg=97.16, db=97.15, tgt=, overall=97.15, METLIN ID=17766 ]" "(785.4301, 1268.22)(786.4549, 201.65)(393.2246, 81099.484)(394.22818, 18618.13)(395.2348, 2942.3657)(415.20663, 4398.4453)(416.20816, 1220.35)" Arg Phe Ala + 9.4182005 FindByFormula + 392.2205 9.4182005 Arg Phe Arg "Arg Phe Arg [ C21 H35 N9 O4, db=76.55, tgt=, overall=76.55, METLIN ID=19179 ]" "(476.27524, 1898.4244)(477.27826, 557.05225)" Arg Phe Arg FindByFormula - 477.2796 13.808888 Arg Phe Ser "Arg Phe Ser [ C18 H28 N6 O5, db=74.74, tgt=, overall=74.74, METLIN ID=20603 ]" "(817.4461, 180.37)(409.2213, 2953.5752)(410.2222, 829.25)(411.2119, 311.18)(447.1708, 371.47)" Arg Phe Ser FindByFormula + 408.2132 9.6845 Arg Ser Phe "Arg Ser Phe [ C18 H28 N6 O5, db=80.03, tgt=, overall=80.03, METLIN ID=15959 ]" "(407.2054, 1354.3368)(408.20883, 343.68335)" Arg Ser Phe FindByFormula - 408.2128 9.655667 Arg Thr Glu "Arg Thr Glu [ C15 H28 N6 O7, db=81.66, tgt=, overall=81.66, METLIN ID=20250 ]" "(405.20984, 5636.5)(406.21085, 1103.4545)(184.13213, 837.8238)(185.12856, 411.61337)" Arg Thr Glu FindByFormula + 183.123 0.9989999 Arg Thr Glu + 1.008 "Arg Thr Glu [ C15 H28 N6 O7, db=96.58, tgt=, overall=96.58, METLIN ID=20250 ]" "(405.20917, 4659.14)(406.212, 977.58997)(407.20508, 111.899994)(427.18945, 461.805)" Arg Thr Glu + 1.008 FindByFormula + 404.204 1.008 Arg Thr Phe "Arg Thr Phe [ C19 H30 N6 O5, db=79.57, tgt=, overall=79.57, METLIN ID=21153 ]" "(421.2194, 1602.255)(422.2213, 348.27002)" Arg Thr Phe FindByFormula - 422.226 10.1885 Arg Thr Phe - 10.1885 "Arg Thr Phe [ C19 H30 N6 O5, db=79.57, tgt=, overall=79.57, METLIN ID=21153 ]" "(421.2194, 1602.255)(422.2213, 348.27002)" Arg Thr Phe - 10.1885 FindByFormula - 422.2264 10.1885 Arg Trp His "Arg Trp His [ C23 H31 N9 O4, db=58.61, tgt=, overall=58.61, METLIN ID=16219 ]" "(498.25845, 2759.49)(499.2592, 711.00336)(500.2556, 1011.34)" Arg Trp His FindByFormula + 497.2539 8.069333 Arg Val Tyr "Arg Val Tyr [ C20 H32 N6 O5, db=82.46, tgt=, overall=82.46, METLIN ID=20460 ]" "(437.25015, 3123.8848)(438.2528, 780.515)" Arg Val Tyr FindByFormula + 436.2411 12.285 Argenteane "Argenteane [ C40 H46 O8, db=55.06, tgt=, overall=55.06, CAS ID=, HMP ID=HMDB39454, METLIN ID=94026 ]" "(677.31116, 876.33496)(678.30316, 437.5)" Argenteane FindByFormula HMDB39454 + 676.3036 17.445 Arginine "Arginine [ C6 H14 N4 O2, db=96.20, tgt=, overall=96.20, CAS ID=74-79-3, KEGG ID=C00062, HMP ID=HMDB00517, METLIN ID=13, AGILENTID=5419 ]" 74-79-3 "(175.11937, 12870.044)(176.12207, 1322.8534)(177.12428, 305.4475)(213.0746, 679.0)(197.10004, 424.8583)" Arginine FindByFormula HMDB00517 + C00062 174.1116 0.95041674 Arginine + 0.7623 "Arginine [ C6 H14 N4 O2, db=84.19, tgt=, overall=84.19, CAS ID=74-79-3, KEGG ID=C00062, HMP ID=HMDB00517, METLIN ID=13, AGILENTID=5419 ]" 74-79-3 "(197.10121, 5373.759)(198.10321, 601.26306)(235.05733, 2262.055)(236.05452, 335.38202)(237.05286, 230.4975)(219.08353, 2958.4543)" Arginine + 0.7623 FindByFormula HMDB00517 + C00062 196.094 0.7623 Arginine + 0.765 "Arginine [ C6 H14 N4 O2, db=97.99, tgt=, overall=97.99, CAS ID=74-79-3, KEGG ID=C00062, HMP ID=HMDB00517, METLIN ID=13, AGILENTID=5419 ]" 74-79-3 "(175.11957, 29773.979)(176.12177, 2491.9797)(177.12238, 358.42004)(213.0759, 3503.343)(214.07704, 391.06876)(197.1015, 4848.805)(198.10207, 429.5483)" Arginine + 0.765 FindByFormula HMDB00517 + C00062 174.1126 0.765 Arginine + 0.76585716 "Arginine [ C6 H14 N4 O2, db=98.13, tgt=, overall=98.13, CAS ID=74-79-3, KEGG ID=C00062, HMP ID=HMDB00517, METLIN ID=13, AGILENTID=5419 ]" 74-79-3 "(175.11954, 29148.852)(176.12161, 2431.2798)(177.12233, 371.3575)(213.07552, 3499.559)(214.07582, 245.72626)(197.10156, 4335.2944)(198.1024, 418.17004)" Arginine + 0.76585716 FindByFormula HMDB00517 + C00062 174.1125 0.76585716 Arginine + 0.80647045 "Arginine [ C6 H14 N4 O2, db=98.03, tgt=, overall=98.03, CAS ID=74-79-3, KEGG ID=C00062, HMP ID=HMDB00517, METLIN ID=13, AGILENTID=5419 ]" 74-79-3 "(175.11954, 26330.006)(176.12157, 2224.3047)(177.12326, 361.5693)(213.07556, 3754.6646)(214.07434, 311.98627)(197.10121, 3529.9324)(198.1047, 380.5586)" Arginine + 0.80647045 FindByFormula HMDB00517 + C00062 174.1121 0.80647045 Arginine + 0.98421437 "Arginine [ C6 H14 N4 O2, db=97.00, tgt=, overall=97.00, CAS ID=74-79-3, KEGG ID=C00062, HMP ID=HMDB00517, METLIN ID=13, AGILENTID=5419 ]" 74-79-3 "(175.11942, 12409.357)(176.12155, 1245.0836)(177.12256, 280.86)(197.10115, 422.385)" Arginine + 0.98421437 FindByFormula HMDB00517 + C00062 174.1121 0.98421437 ArginyArginine "ArginyArginine [ C12 H26 N8 O3, db=51.92, tgt=, overall=51.92, CAS ID=, HMP ID=HMDB28703, METLIN ID=85618 ]" "(331.22168, 1241.22)(332.22104, 465.32)" ArginyArginine FindByFormula HMDB28703 + 330.2115 17.6725 Armillaritin "Armillaritin [ C23 H28 O6, db=68.41, tgt=, overall=68.41, CAS ID=135247-96-0, HMP ID=HMDB38918, METLIN ID=93531 ]" 135247-96-0 "(423.17813, 1558.9939)(424.17853, 503.82797)" Armillaritin FindByFormula HMDB38918 + 422.1701 13.4944 Armillaritin + 12.511857 "Armillaritin [ C23 H28 O6, db=69.27, tgt=, overall=69.27, CAS ID=135247-96-0, HMP ID=HMDB38918, METLIN ID=93531 ]" 135247-96-0 "(423.17822, 1626.5414)(424.1822, 573.1772)" Armillaritin + 12.511857 FindByFormula HMDB38918 + 422.173 12.511857 AS 1-5 "AS 1-5 [ C40 H77 N O9, db=75.09, tgt=, overall=75.09, CAS ID=, HMP ID=HMDB32843, METLIN ID=88763 ]" "(738.5468, 28498.531)(739.55084, 13155.478)(740.5347, 2237.21)" AS 1-5 FindByFormula HMDB32843 + 737.5394 22.480635 AS 1-5 + 22.460299 "AS 1-5 [ C40 H77 N O9, db=90.49, tgt=, overall=90.49, CAS ID=, HMP ID=HMDB32843, METLIN ID=88763 ]" "(738.5472, 31028.469)(739.5513, 14421.755)(740.55115, 4040.5605)(741.55005, 1892.425)" AS 1-5 + 22.460299 FindByFormula HMDB32843 + 737.5423 22.460299 AS 1-5 + 22.478333 "AS 1-5 [ C40 H77 N O9, db=90.01, tgt=, overall=90.01, CAS ID=, HMP ID=HMDB32843, METLIN ID=88763 ]" "(738.5473, 27088.592)(739.5512, 12477.022)(740.5523, 3866.7305)(741.55005, 1892.425)" AS 1-5 + 22.478333 FindByFormula HMDB32843 + 737.5405 22.478333 AS 1-5 + 22.808498 "AS 1-5 [ C40 H77 N O9, db=91.89, tgt=, overall=91.89, CAS ID=, HMP ID=HMDB32843, METLIN ID=88763 ]" "(738.5469, 7914.547)(739.5515, 3320.17)(740.5536, 607.9525)" AS 1-5 + 22.808498 FindByFormula HMDB32843 + 737.5418 22.808498 AS 1-5 + 22.811335 "AS 1-5 [ C40 H77 N O9, db=92.84, tgt=, overall=92.84, CAS ID=, HMP ID=HMDB32843, METLIN ID=88763 ]" "(738.54736, 8360.953)(739.5522, 3749.1667)(740.5546, 644.8233)" AS 1-5 + 22.811335 FindByFormula HMDB32843 + 737.5429 22.811335 AS 1-5 + 22.839334 "AS 1-5 [ C40 H77 N O9, db=90.70, tgt=, overall=90.70, CAS ID=, HMP ID=HMDB32843, METLIN ID=88763 ]" "(738.5467, 4473.5)(739.55115, 1937.5521)(740.5521, 355.37)" AS 1-5 + 22.839334 FindByFormula HMDB32843 + 737.5391 22.839334 Ascorbyl stearate "Ascorbyl stearate [ C24 H42 O7, db=71.45, tgt=, overall=71.45, CAS ID=10605-09-1, HMP ID=HMDB38242, METLIN ID=92968 ]" 10605-09-1 "(465.28094, 1558.0125)(466.28763, 504.8075)(467.28732, 293.64)" Ascorbyl stearate FindByFormula HMDB38242 + 464.274 14.21125 Asn Arg Arg "Asn Arg Arg [ C16 H32 N10 O5, db=69.30, tgt=, overall=69.30, METLIN ID=18907 ]" "(467.247, 1932.825)(468.2503, 493.26)" Asn Arg Arg FindByFormula + 466.2409 8.809999 Asn Cys Cys "Asn Cys Cys [ C10 H18 N4 O5 S2, db=57.93, tgt=, overall=57.93, METLIN ID=17894 ]" "(339.07825, 4828.95)(340.08008, 1237.365)" Asn Cys Cys FindByFormula + 338.0698 9.413 Asn Ile Phe "Asn Ile Phe [ C19 H28 N4 O5, db=95.17, tgt=, overall=95.17, METLIN ID=19942 ]" "(785.4308, 239.26)(393.21228, 38319.707)(394.2155, 7406.054)(395.2195, 1494.7091)(396.2315, 593.04)(431.1734, 69.19)(415.1991, 2087.6948)(416.1983, 594.72)" Asn Ile Phe FindByFormula + 392.2032 7.4209285 Asn Pro Pro "Asn Pro Pro [ C14 H22 N4 O5, db=75.25, tgt=, overall=75.25, METLIN ID=19714 ]" "(327.1671, 6950.0933)(328.1701, 1877.5634)(329.1529, 403.77)" Asn Pro Pro FindByFormula + 326.1619 9.659 Asn Val Ile "Asn Val Ile [ C15 H28 N4 O5, db=4.02, tgt=, overall=4.02, METLIN ID=19356 ]" "(345.2145, 1401.4401)(345.71545, 578.59503)(346.21002, 69.315)(689.4185, 1302.3625)(690.4172, 490.74374)(711.4004, 1381.6718)(712.4014, 558.155)" Asn Val Ile FindByFormula + 688.4129 3.2415 Asn Val Ile + 20.125334 "Asn Val Ile [ C15 H28 N4 O5, db=71.64, tgt=, overall=71.64, METLIN ID=19356 ]" "(367.19406, 3624.748)(368.19714, 955.98004)(369.19177, 288.2175)" Asn Val Ile + 20.125334 FindByFormula + 366.1901 20.125334 Asp Lys Glu "Asp Lys Glu [ C15 H26 N4 O8, db=67.26, tgt=, overall=67.26, METLIN ID=21250 ]" "(391.18347, 10922.82)(392.18866, 2604.045)" Asp Lys Glu FindByFormula + 390.1766 10.49225 Asp Trp Asp "Asp Trp Asp [ C19 H22 N4 O8, mfg=93.68, db=95.47, tgt=, overall=47.73, METLIN ID=19189 ]" "(457.1328, 5193.6357)(458.1359, 1169.83)(459.14648, 230.69)" Asp Trp Asp FindByFormula + 456.1265 6.5119996 Asp Tyr Gln "Asp Tyr Gln [ C18 H24 N4 O8, mfg=74.29, db=74.07, tgt=, overall=74.18, METLIN ID=15869 ]" "(425.16782, 155167.08)(426.1691, 41108.746)" Asp Tyr Gln FindByFormula + 424.1602 10.475333 Asp Tyr Gln + 9.712 "Asp Tyr Gln [ C18 H24 N4 O8, db=69.22, tgt=, overall=69.22, METLIN ID=15869 ]" "(425.1667, 2195.6)(426.16217, 489.4)" Asp Tyr Gln + 9.712 FindByFormula + 424.1576 9.712 Asparagoside E "Asparagoside E [ C45 H76 O19, db=0.00, tgt=, overall=0.00, CAS ID=60267-25-6, HMP ID=HMDB31838, METLIN ID=87960 ]" 60267-25-6 "(899.5137, 2456.83)(900.0375, 687.45)(921.5009, 14618.08)(922.0022, 6041.76)" Asparagoside E FindByFormula HMDB31838 + 1797.0167 7.5345 Aspidoalbine "Aspidoalbine [ C24 H32 N2 O5, db=89.54, tgt=, overall=89.54, CAS ID=2122-25-0, KEGG ID=C09038, METLIN ID=67373 ]" 2122-25-0 "(451.2213, 21085.576)(452.22455, 5652.4053)(453.2228, 1857.75)(489.17105, 1979.42)(473.20087, 16016.84)(474.2038, 2752.905)(475.20966, 1215.0549)" Aspidoalbine FindByFormula + C09038 450.2133 7.5965 Aspulvinone H "Aspulvinone H [ C27 H28 O5, mfg=93.40, db=93.43, tgt=, overall=93.42, CAS ID=57744-69-1, KEGG ID=C02008, METLIN ID=65698 ]" 57744-69-1 "(433.2009, 13981.304)(434.20383, 3298.4167)(435.2104, 430.595)" Aspulvinone H FindByFormula + C02008 432.1904 15.148999 Aspulvinone H + 9.386499 "Aspulvinone H [ C27 H28 O5, db=39.08, tgt=, overall=39.08, CAS ID=57744-69-1, KEGG ID=C02008, METLIN ID=65698 ]" 57744-69-1 "(433.2013, 1966.47)(434.2135, 845.24)(455.1799, 608.51)(456.1892, 259.85)" Aspulvinone H + 9.386499 FindByFormula + C02008 432.1959 9.386499 Assamsaponin A "Assamsaponin A [ C57 H88 O25, db=69.67, tgt=, overall=69.67, CAS ID=259747-95-0, HMP ID=HMDB35432, METLIN ID=90720 ]" 259747-95-0 "(587.2914, 1007.755)(587.791, 650.765)(588.29443, 293.98502)(1173.5667, 4305.21)(1174.5627, 3181.05)(1175.5701, 1365.2)(1176.5663, 265.21)" Assamsaponin A FindByFormula HMDB35432 + 1172.56 9.502001 Assamsaponin B "Assamsaponin B [ C61 H92 O28, db=64.69, tgt=, overall=64.69, CAS ID=259748-07-7, HMP ID=HMDB35429, METLIN ID=90717 ]" 259748-07-7 "(1295.565, 2611.005)(1296.5657, 2102.15)(1297.5664, 1200.8574)(1298.5593, 701.745)" Assamsaponin B FindByFormula HMDB35429 + 1294.5573 22.82425 Astragaloside III "Astragaloside III [ C41 H68 O14, db=58.11, tgt=, overall=58.11, CAS ID=84687-42-3, KEGG ID=C08924, METLIN ID=67273 ]" 84687-42-3 "(785.46765, 929.295)(786.46875, 520.565)" Astragaloside III FindByFormula + C08924 784.4617 16.974998 Atorvastatin Metabolite(ortho) "Atorvastatin Metabolite(ortho) [ C33 H35 F N2 O4, db=97.82, tgt=, overall=97.82, CAS ID=, METLIN ID=1149 ]" "(565.2475, 8945.848)(566.25104, 2943.5498)(567.2542, 605.57166)" Atorvastatin Metabolite(ortho) FindByFormula + 564.2413 24.186079 Auriculoside "Auriculoside [ C22 H26 O10, db=81.35, tgt=, overall=81.35, Lipid ID=LMPK12020249, KEGG ID=C09478, METLIN ID=47465 ]" "(449.14557, 1230.8975)(450.1488, 293.675)" Auriculoside FindByFormula - C09478 LMPK12020249 450.1536 12.203751 Avenanthramide 1c "Avenanthramide 1c [ C16 H13 N O5, db=79.53, tgt=, overall=79.53, CAS ID=, HMP ID=HMDB29284, METLIN ID=86155 ]" "(298.0715, 3720.3018)(299.0754, 484.30664)" Avenanthramide 1c FindByFormula HMDB29284 - 299.0778 1.1668333 Avermectin A1a monosaccharide "Avermectin A1a monosaccharide [ C42 H62 O11, db=71.27, tgt=, overall=71.27, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]" "(743.4332, 54734.125)(744.4364, 23182.717)(745.4358, 10154.045)(746.4371, 3111.3293)" Avermectin A1a monosaccharide FindByFormula + C11982 742.4264 16.916864 Avermectin A1a monosaccharide + 16.079666 "Avermectin A1a monosaccharide [ C42 H62 O11, db=73.57, tgt=, overall=73.57, CAS ID=, KEGG ID=C11982, METLIN ID=63693 ]" "(765.4201, 1340.1034)(766.4243, 794.14996)(767.4235, 420.73337)" Avermectin A1a monosaccharide + 16.079666 FindByFormula + C11982 764.4116 16.079666 Avermectin A1b monosaccharide "Avermectin A1b monosaccharide [ C41 H60 O11, db=67.13, tgt=, overall=67.13, CAS ID=, KEGG ID=C11966, METLIN ID=63680 ]" "(365.21298, 1430.23)(365.71436, 398.3933)(366.2191, 325.31)(729.4154, 329.89502)(730.4127, 231.48)(751.39636, 136.045)(752.4033, 102.53)" Avermectin A1b monosaccharide FindByFormula + C11966 728.4106 4.1663337 Avermectin A1b monosaccharide + 7.0913334 "Avermectin A1b monosaccharide [ C41 H60 O11, db=45.53, tgt=, overall=45.53, CAS ID=, KEGG ID=C11966, METLIN ID=63680 ]" "(365.22806, 1997.365)(365.73022, 835.21)(366.2203, 429.94)(729.4207, 2817.73)(730.4194, 1339.3)(731.4173, 1042.74)" Avermectin A1b monosaccharide + 7.0913334 FindByFormula + C11966 728.4319 7.0913334 Avermectin A2a aglycone "Avermectin A2a aglycone [ C35 H52 O9, db=60.60, tgt=, overall=60.60, CAS ID=, KEGG ID=C11972, METLIN ID=63696 ]" "(615.3536, 9824.27)(616.3524, 2955.5876)(617.3533, 1702.25)" Avermectin A2a aglycone FindByFormula - C11972 616.3611 7.3575 Avermectin A2b aglycone "Avermectin A2b aglycone [ C34 H50 O9, db=67.16, tgt=, overall=67.16, CAS ID=, KEGG ID=C11956, METLIN ID=63684 ]" "(601.3372, 849.0825)(602.33826, 269.6875)" Avermectin A2b aglycone FindByFormula - C11956 602.3435 1.10375 Avermectin A2b monosaccharide "Avermectin A2b monosaccharide [ C41 H62 O12, db=58.57, tgt=, overall=58.57, CAS ID=, KEGG ID=C11958, METLIN ID=63682 ]" "(747.43286, 3565.63)(748.4363, 1855.2767)(749.4448, 1566.6967)(769.40857, 1007.495)" Avermectin A2b monosaccharide FindByFormula + C11958 746.4228 10.181 Avermectin A2b monosaccharide + 1.269 "Avermectin A2b monosaccharide [ C41 H62 O12, db=2.45, tgt=, overall=2.45, CAS ID=, KEGG ID=C11958, METLIN ID=63682 ]" "(769.41144, 1771.0526)(769.91296, 1395.4099)(770.405, 1066.96)(1537.8058, 434.88)(1538.8221, 121.85)(780.3992, 1391.7032)(780.9016, 605.69)(781.40906, 501.315)" Avermectin A2b monosaccharide + 1.269 FindByFormula + C11958 1536.8093 1.269 Avermectin A2b monosaccharide + 1.5976667 "Avermectin A2b monosaccharide [ C41 H62 O12, db=6.77, tgt=, overall=6.77, CAS ID=, KEGG ID=C11958, METLIN ID=63682 ]" "(769.41064, 815.5967)(769.91327, 832.27997)(770.41016, 527.36)(1538.8287, 252.04)(780.4053, 196.66)(780.8974, 205.65)" Avermectin A2b monosaccharide + 1.5976667 FindByFormula + C11958 1536.8107 1.5976667 Avermectin A2b monosaccharide + 1.6955 "Avermectin A2b monosaccharide [ C41 H62 O12, db=3.18, tgt=, overall=3.18, CAS ID=, KEGG ID=C11958, METLIN ID=63682 ]" "(747.4334, 2611.72)(747.9313, 1627.38)(748.43, 796.02)(769.41156, 2144.34)(769.9147, 1384.55)(770.41315, 573.91504)(770.9134, 616.73)(758.4227, 1610.1799)(758.92334, 1414.0)(759.4231, 1030.12)(1531.7999, 174.63)(1532.8046, 141.01)(777.388, 522.09)(777.8841, 356.04)(778.3929, 287.43)(1515.8237, 66.1)" Avermectin A2b monosaccharide + 1.6955 FindByFormula + C11958 1492.8324 1.6955 Avermectin B1b aglycone "Avermectin B1b aglycone [ C33 H46 O8, db=55.52, tgt=, overall=55.52, CAS ID=, KEGG ID=C11963, METLIN ID=63686 ]" "(571.32556, 3808.38)(572.3323, 2194.835)" Avermectin B1b aglycone FindByFormula + C11963 570.3184 1.092 Avermectin B1b aglycone + 7.7185 "Avermectin B1b aglycone [ C33 H46 O8, db=6.29, tgt=, overall=6.29, CAS ID=, KEGG ID=C11963, METLIN ID=63686 ]" "(571.3284, 6344.045)(571.8301, 4030.185)(572.32837, 2014.7849)(572.8322, 549.81)(1141.643, 3772.73)(1142.6506, 3077.48)(1143.6284, 1326.08)(590.311, 133.85)(590.7966, 132.42)" Avermectin B1b aglycone + 7.7185 FindByFormula + C11963 1140.637 7.7185 Avermectin B1b monosaccharide "Avermectin B1b monosaccharide [ C40 H58 O11, db=55.46, tgt=, overall=55.46, CAS ID=, KEGG ID=C11965, METLIN ID=63689 ]" "(737.3872, 1762.575)(738.38513, 839.56494)" Avermectin B1b monosaccharide FindByFormula + C11965 736.3774 19.529999 Avermectin B2b monosaccharide "Avermectin B2b monosaccharide [ C40 H60 O12, db=9.58, tgt=, overall=9.58, CAS ID=, KEGG ID=C11957, METLIN ID=63690 ]" "(733.41296, 1706.35)(733.91956, 1258.1)(734.4192, 734.1867)(755.39935, 3344.1558)(755.90515, 2622.053)(756.40045, 1323.5758)(756.89777, 308.10333)(744.40497, 1948.3566)(744.90985, 1888.4801)(745.4021, 730.69)" Avermectin B2b monosaccharide FindByFormula + C11957 1464.8171 6.5905714 Axitinib "Axitinib [ C22 H18 N4 O S, db=86.35, tgt=, overall=86.35, CAS ID=319460-85-0, METLIN ID=85189 ]" 319460-85-0 "(387.1265, 6338.475)(388.1309, 1309.81)(389.1325, 466.97)" Axitinib FindByFormula + 386.119 2.8565 Axitinib + 2.8565 "Axitinib [ C22 H18 N4 O S, db=85.58, tgt=, overall=85.58, CAS ID=319460-85-0, METLIN ID=85189 ]" 319460-85-0 "(387.12646, 6496.96)(388.13068, 1314.21)(389.133, 463.29)" Axitinib + 2.8565 FindByFormula + 386.119 2.8565 Axitinib + 2.8565 :1 "Axitinib [ C22 H18 N4 O S, db=70.02, tgt=, overall=70.02, CAS ID=319460-85-0, METLIN ID=85189 ]" 319460-85-0 "(387.1265, 6338.475)(388.1309, 1309.81)" Axitinib + 2.8565 :1 FindByFormula + 386.1198 2.8565 Azaspiracid "Azaspiracid [ C47 H71 N O12, db=60.53, tgt=, overall=60.53, CAS ID=214899-21-5, KEGG ID=C16907, METLIN ID=71422 ]" 214899-21-5 "(840.48956, 943.65607)(841.49133, 509.58798)" Azaspiracid FindByFormula - C16907 841.4973 7.357 Azinphos-ethyl "Azinphos-ethyl [ C12 H16 N3 O3 P S2, db=52.05, tgt=, overall=52.05, CAS ID=2642-71-9, KEGG ID=C18644, METLIN ID=72432 ]" 2642-71-9 "(368.02515, 2249.9033)(369.03125, 920.60333)" Azinphos-ethyl FindByFormula + C18644 367.0208 0.9613333 Batrachotoxinin A "Batrachotoxinin A [ C24 H35 N O5, db=78.11, tgt=, overall=78.11, CAS ID=19457-37-5, KEGG ID=C20032, METLIN ID=73517 ]" 19457-37-5 "(835.5129, 7143.81)(836.51544, 3398.617)(837.5091, 1664.68)(838.50946, 392.72336)(873.4769, 647.53)(874.458, 431.035)(875.4445, 354.81)(857.4972, 603.02)(858.5038, 563.97)(418.2626, 2474.92)(419.2627, 566.17)(420.2569, 551.37)(440.2494, 4414.35)(441.2377, 1744.82)" Batrachotoxinin A FindByFormula + C20032 417.2525 1.1353333 BAY-60-7550 "BAY-60-7550 [ C27 H32 N4 O4, mfg=64.90, db=64.90, tgt=, overall=64.90, CAS ID=439083-90-6, METLIN ID=45308 ]" 439083-90-6 "(953.5042, 543.88666)(954.49335, 438.12332)(955.5169, 51.3)(975.4757, 2683.3843)(976.4806, 1684.8887)(977.4869, 740.4914)(477.2519, 4707.361)(478.25848, 1231.8151)(479.25253, 474.7486)(499.23468, 2838.553)(500.2397, 814.27295)(501.23364, 378.26334)" BAY-60-7550 FindByFormula + 476.2455 13.650299 bayogenin 3-O-cellobioside "bayogenin 3-O-cellobioside [ C42 H68 O15, db=19.42, tgt=, overall=19.42, Lipid ID=LMPR0106150009, KEGG ID=C08932, METLIN ID=53777 ]" "(407.2337, 738.19)(407.7493, 574.61)(408.2414, 750.28)(813.4717, 1154.12)(814.4816, 852.1)(835.449, 1474.5)(836.46, 960.44)" bayogenin 3-O-cellobioside FindByFormula + C08932 LMPR0106150009 812.47 7.7395 Benazepril "Benazepril [ C24 H28 N2 O5, db=91.08, tgt=, overall=91.08, CAS ID=86541-75-5, KEGG ID=C06843, HMP ID=HMDB14682, METLIN ID=1256 ]" 86541-75-5 "(425.2068, 22281.74)(426.20743, 5475.8364)(427.2127, 1408.17)(447.19067, 1588.48)(448.1994, 902.78)" Benazepril FindByFormula HMDB14682 + C06843 424.201 9.805667 Benfuracarb "Benfuracarb [ C20 H30 N2 O5 S, db=75.63, tgt=, overall=75.63, CAS ID=82560-54-1, KEGG ID=C11073, METLIN ID=68816 ]" 82560-54-1 "(433.1759, 3482.8853)(434.17828, 1326.415)(435.177, 650.645)" Benfuracarb FindByFormula + C11073 432.1676 20.773998 Benzaldehyde "Benzaldehyde [ C7 H6 O, db=84.88, tgt=, overall=84.88, CAS ID=100-52-7, KEGG ID=C00261, HMP ID=HMDB06115, METLIN ID=58358 ]" 100-52-7 "(235.07666, 986.61)(107.04966, 10290.458)(108.05253, 951.7629)" Benzaldehyde FindByFormula HMDB06115 + C00261 106.0429 1.9415417 "Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate" "Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate [ C30 H53 N O11, db=66.59, tgt=, overall=66.59, CAS ID=104-31-4, METLIN ID=4034 ]" 104-31-4 "(602.3527, 3117.7476)(603.355, 1100.89)" "Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate" FindByFormula - 603.3591 2.679 "Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate - 1.8865" "Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate [ C30 H53 N O11, db=66.37, tgt=, overall=66.37, CAS ID=104-31-4, METLIN ID=4034 ]" 104-31-4 "(602.35675, 997.945)(603.3587, 374.76)" "Benzonatate (2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)-benzoate - 1.8865" FindByFormula - 603.3643 1.8865 Benzyl beta-primeveroside "Benzyl beta-primeveroside [ C18 H26 O10, db=67.99, tgt=, overall=67.99, CAS ID=130622-31-0, HMP ID=HMDB41190, METLIN ID=95612 ]" 130622-31-0 "(213.06927, 1024.2933)(213.57066, 260.10333)(214.0723, 110.32)(425.14117, 48240.78)(426.14468, 12131.3955)(427.13885, 6628.1343)(428.13788, 1508.1154)(429.1383, 121.21)" Benzyl beta-primeveroside FindByFormula HMDB41190 + 424.1355 11.317773 Benzyl beta-primeveroside + 7.0836663 "Benzyl beta-primeveroside [ C18 H26 O10, db=83.16, tgt=, overall=83.16, CAS ID=130622-31-0, HMP ID=HMDB41190, METLIN ID=95612 ]" 130622-31-0 "(425.14206, 6882.0464)(426.15256, 1536.7667)(427.14926, 300.01334)" Benzyl beta-primeveroside + 7.0836663 FindByFormula HMDB41190 + 424.1364 7.0836663 beta-Hederin "beta-Hederin [ C41 H66 O11, db=89.68, tgt=, overall=89.68, CAS ID=35790-95-5, KEGG ID=C08955, METLIN ID=67301 ]" 35790-95-5 "(757.4478, 4217.327)(758.452, 2003.2902)(759.4496, 599.80554)(760.4543, 157.83333)" beta-Hederin FindByFormula + C08955 756.4407 22.356445 beta-Hederin + 18.059668 "beta-Hederin [ C41 H66 O11, db=43.15, tgt=, overall=43.15, CAS ID=35790-95-5, KEGG ID=C08955, METLIN ID=67301 ]" 35790-95-5 "(757.4468, 1006.6966)(758.45197, 500.49)(759.4436, 396.18335)" beta-Hederin + 18.059668 FindByFormula + C08955 756.4369 18.059668 Betavulgaroside I "Betavulgaroside I [ C47 H70 O20, db=21.20, tgt=, overall=21.20, CAS ID=158511-55-8, HMP ID=HMDB29357, METLIN ID=86218 ]" 158511-55-8 "(977.43854, 9367.989)(977.9377, 10478.017)(978.4438, 5997.3755)(978.9408, 2730.6206)(979.448, 1209.1127)(979.9366, 551.6338)" Betavulgaroside I FindByFormula HMDB29357 + 1952.8613 21.051136 Bevantolol "Bevantolol [ C20 H27 N O4, db=76.35, tgt=, overall=76.35, CAS ID=59170-23-9, HMP ID=HMDB15409, METLIN ID=85492 ]" 59170-23-9 "(344.18567, 6213.905)(345.1893, 1024.525)" Bevantolol FindByFormula HMDB15409 - 345.1943 7.321 Biliverdin-IX-alpha "Biliverdin-IX-alpha [ C33 H34 N4 O6, mfg=53.51, db=53.49, tgt=, overall=53.50, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.2556, 2619.3462)(584.2551, 1095.7662)(585.2534, 799.0063)" Biliverdin-IX-alpha FindByFormula HMDB01008 + C00500 582.2461 18.612373 Biliverdin-IX-alpha + 11.259334 "Biliverdin-IX-alpha [ C33 H34 N4 O6, db=12.86, tgt=, overall=12.86, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.2556, 6948.563)(583.7631, 1214.4166)(584.2576, 2787.4133)" Biliverdin-IX-alpha + 11.259334 FindByFormula HMDB01008 + C00500 1164.5029 11.259334 Biliverdin-IX-alpha + 11.265166 "Biliverdin-IX-alpha [ C33 H34 N4 O6, db=97.21, tgt=, overall=97.21, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.25586, 8627.984)(584.2589, 3221.3252)(585.2604, 892.5867)" Biliverdin-IX-alpha + 11.265166 FindByFormula HMDB01008 + C00500 582.2499 11.265166 Biliverdin-IX-alpha + 11.708 "Biliverdin-IX-alpha [ C33 H34 N4 O6, db=85.60, tgt=, overall=85.60, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.2537, 5216.6133)(584.25726, 1882.9501)(585.26276, 794.535)" Biliverdin-IX-alpha + 11.708 FindByFormula HMDB01008 + C00500 582.2465 11.708 Biliverdin-IX-alpha + 11.8065 "Biliverdin-IX-alpha [ C33 H34 N4 O6, mfg=88.93, db=88.98, tgt=, overall=88.96, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.25555, 3029.9534)(584.25836, 1023.7166)(585.2559, 333.91666)" Biliverdin-IX-alpha + 11.8065 FindByFormula HMDB01008 + C00500 582.2475 11.8065 Biliverdin-IX-alpha + 11.8255005 "Biliverdin-IX-alpha [ C33 H34 N4 O6, db=11.75, tgt=, overall=11.75, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.25684, 16599.674)(583.7622, 3827.29)(584.25916, 5897.54)(1165.5055, 1489.54)" Biliverdin-IX-alpha + 11.8255005 FindByFormula HMDB01008 + C00500 1164.5033 11.8255005 Biliverdin-IX-alpha + 12.814 "Biliverdin-IX-alpha [ C33 H34 N4 O6, db=95.57, tgt=, overall=95.57, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.2549, 3653.795)(584.25665, 1413.55)(585.2626, 399.63)" Biliverdin-IX-alpha + 12.814 FindByFormula HMDB01008 + C00500 582.2482 12.814 Biliverdin-IX-alpha + 21.8055 "Biliverdin-IX-alpha [ C33 H34 N4 O6, db=71.40, tgt=, overall=71.40, CAS ID=114-25-0, Lipid ID=, KEGG ID=C00500, HMP ID=HMDB01008, METLIN ID=6608, AGILENTID=5529 ]" 114-25-0 "(583.2543, 3553.39)(584.25714, 1014.78)" Biliverdin-IX-alpha + 21.8055 FindByFormula HMDB01008 + C00500 582.2464 21.8055 bipindogenin "bipindogenin [ C23 H34 O6, db=72.28, tgt=, overall=72.28, Lipid ID=LMST01120006, METLIN ID=57776 ]" "(407.24097, 2428.4834)(408.24393, 664.92)" bipindogenin FindByFormula + LMST01120006 406.2329 13.169834 "Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one" "Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one [ C46 H60 O7, db=61.97, tgt=, overall=61.97, CAS ID=361475-68-5, HMP ID=HMDB39970, METLIN ID=94511 ]" 361475-68-5 "(725.44244, 1232.41)(726.44196, 543.75336)" "Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one" FindByFormula HMDB39970 + 724.4359 15.766667 "Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one + 1.1455" "Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one [ C46 H60 O7, db=2.55, tgt=, overall=2.55, CAS ID=361475-68-5, HMP ID=HMDB39970, METLIN ID=94511 ]" 361475-68-5 "(747.4254, 8033.12)(747.932, 6269.91)(748.4201, 3906.1802)(748.92944, 1201.545)(769.41003, 2751.365)(769.91425, 1960.33)(770.4068, 982.595)(770.9138, 463.47)(1493.8414, 6617.545)(1494.8462, 5593.095)(1495.8462, 2842.67)(758.4217, 1977.57)(758.9211, 1220.42)(759.4265, 988.52)(1531.7898, 1036.3)(1532.7917, 627.91)(777.3966, 1754.26)(777.8891, 501.67)(778.3943, 380.83)(1515.8104, 3248.12)(1516.8195, 2771.99)(1517.826, 1352.55)" "Bis(4-methoxybenzoyl)-3a,29-dihydroxy-8-multifloren-7-one + 1.1455" FindByFormula HMDB39970 + 1492.8256 1.1455 Bis(glycerophospho)-glycerol "Bis(glycerophospho)-glycerol [ C9 H22 O13 P2, db=75.56, tgt=, overall=75.56, KEGG ID=C03853, METLIN ID=66064 ]" "(423.0432, 8985.152)(424.0472, 2046.1951)(425.041, 330.6)" Bis(glycerophospho)-glycerol FindByFormula + C03853 422.0373 9.75725 Bisacodyl diphenol glucuronide "Bisacodyl diphenol glucuronide [ C23 H23 N O7, db=78.78, tgt=, overall=78.78, CAS ID=, METLIN ID=1351 ]" "(424.13943, 1884.1298)(425.1419, 417.05203)" Bisacodyl diphenol glucuronide FindByFormula - 425.1471 1.1558667 Blumenol C glucoside "Blumenol C glucoside [ C19 H32 O7, db=60.60, tgt=, overall=60.60, CAS ID=62512-23-6, HMP ID=HMDB40668, METLIN ID=95146 ]" 62512-23-6 "(373.22375, 1088.025)(374.2204, 486.88)(375.2279, 299.7)(395.20605, 907.94995)(396.21225, 315.385)" Blumenol C glucoside FindByFormula HMDB40668 + 372.2157 8.5425 BML-190 "BML-190 [ C23 H23 Cl N2 O4, db=75.88, tgt=, overall=75.88, CAS ID=2854-32-2, METLIN ID=43433 ]" 2854-32-2 "(427.13998, 2204.8257)(428.14175, 508.5606)(429.13855, 836.5562)" BML-190 FindByFormula + 426.1306 15.062188 Boc-DVal(NMe)-Val-OMe "Boc-DVal(NMe)-Val-OMe [ C17 H32 N2 O5, db=50.98, tgt=, overall=50.98, METLIN ID=65479 ]" "(345.23767, 1420.31)(346.2388, 609.095)" Boc-DVal(NMe)-Val-OMe FindByFormula + 344.2284 21.888 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe "Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, db=61.38, tgt=, overall=61.38, METLIN ID=65475 ]" "(631.3113, 32425.875)(632.3145, 12479.193)(633.32385, 7832.0615)(634.3292, 2357.53)(653.2963, 2041.1599)(654.29224, 953.8925)(655.3064, 625.76666)" Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe FindByFormula + 630.304 9.782001 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe - 9.666667 "Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, db=65.73, tgt=, overall=65.73, METLIN ID=65475 ]" "(607.316, 1619.6632)(608.3177, 663.67664)" Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe - 9.666667 FindByFormula - 608.3239 9.666667 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 8.695 "Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, db=86.76, tgt=, overall=86.76, METLIN ID=65475 ]" "(609.32764, 6976.07)(610.33057, 2886.18)(611.3378, 119.77)(631.3061, 1544.93)(632.3236, 631.73)" Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 8.695 FindByFormula + 608.3142 8.695 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.707125 "Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, db=93.23, tgt=, overall=93.23, METLIN ID=65475 ]" "(609.3283, 12611.643)(610.3313, 5007.04)(611.33545, 1794.0725)(612.34424, 509.145)(631.3102, 11741.357)(632.3132, 4567.1934)(633.3213, 1317.4199)" Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.707125 FindByFormula + 608.3211 9.707125 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.7307 "Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, db=68.83, tgt=, overall=68.83, METLIN ID=65475 ]" "(609.327, 11257.658)(610.3291, 4444.512)(631.3092, 9265.012)(632.31287, 3765.0918)" Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.7307 FindByFormula + 608.3129 9.7307 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.743539 "Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, db=78.72, tgt=, overall=78.72, METLIN ID=65475 ]" "(1217.674, 578.69)(1218.6874, 116.59)(609.32794, 9215.915)(610.3311, 3571.651)(611.3352, 1789.7582)(612.3346, 842.37)(647.2802, 1807.6017)(648.28754, 497.2283)(631.3102, 10938.653)(632.31195, 4425.2036)(633.31757, 2405.485)(634.32715, 703.17004)" Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.743539 FindByFormula + 608.3212 9.743539 Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.771801 "Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe [ C33 H44 N4 O7, db=53.00, tgt=, overall=53.00, METLIN ID=65475 ]" "(609.32916, 12308.739)(610.3323, 4912.1934)(611.3375, 2617.3762)(612.3417, 241.02002)(647.28217, 3045.302)(648.2888, 1375.894)(631.31146, 17170.477)(632.31354, 6752.46)(633.3222, 4454.273)(634.33215, 3943.1401)" Boc-Phe(NMe)-Pro-Phe(NMe)-Gly-OMe + 9.771801 FindByFormula + 608.3212 9.771801 Boschniakine "Boschniakine [ C10 H11 N O, db=81.81, tgt=, overall=81.81, CAS ID=18070-40-1, KEGG ID=C09915, METLIN ID=68007 ]" 18070-40-1 "(184.07367, 3889.5615)(185.07559, 307.56375)" Boschniakine FindByFormula + C09915 183.0653 14.743625 Boschniakine + 14.448999 "Boschniakine [ C10 H11 N O, db=78.86, tgt=, overall=78.86, CAS ID=18070-40-1, KEGG ID=C09915, METLIN ID=68007 ]" 18070-40-1 "(184.0734, 6591.05)(185.0763, 384.8)" Boschniakine + 14.448999 FindByFormula + C09915 183.0667 14.448999 Boschniakine + 14.802334 "Boschniakine [ C10 H11 N O, db=80.88, tgt=, overall=80.88, CAS ID=18070-40-1, KEGG ID=C09915, METLIN ID=68007 ]" 18070-40-1 "(184.07353, 2721.2932)(185.07515, 207.31665)" Boschniakine + 14.802334 FindByFormula + C09915 183.0671 14.802334 Brassica napus non-fluorescent chlorophyll catabolite 3 "Brassica napus non-fluorescent chlorophyll catabolite 3 [ C34 H38 N4 O8, db=66.87, tgt=, overall=66.87, CAS ID=173740-48-2, HMP ID=HMDB40917, METLIN ID=95367 ]" 173740-48-2 "(653.2602, 3674.06)(654.2599, 1387.8298)" Brassica napus non-fluorescent chlorophyll catabolite 3 FindByFormula HMDB40917 + 652.2529 12.066 Bremazocine "Bremazocine [ C20 H29 N O2, db=72.97, tgt=, overall=72.97, CAS ID=75684-07-0, KEGG ID=C11791, METLIN ID=69221 ]" 75684-07-0 "(338.2075, 9658.025)(339.20923, 2450.4248)(340.20776, 663.615)" Bremazocine FindByFormula + C11791 337.203 7.817 Bremazocine - 7.8440003 "Bremazocine [ C20 H29 N O2, db=77.73, tgt=, overall=77.73, CAS ID=75684-07-0, KEGG ID=C11791, METLIN ID=69221 ]" 75684-07-0 "(314.21136, 2186.1)(315.2138, 419.73004)" Bremazocine - 7.8440003 FindByFormula - C11791 315.2185 7.8440003 Brevetoxin A "Brevetoxin A [ C49 H70 O13, db=38.52, tgt=, overall=38.52, CAS ID=98112-41-5, KEGG ID=C16839, METLIN ID=71378 ]" 98112-41-5 "(434.2388, 1359.135)(434.73688, 537.035)(867.4847, 6404.217)(868.48615, 3175.3699)(869.4808, 756.31506)(905.4426, 150.13)(906.4539, 182.11)(889.4702, 8880.38)(890.46436, 3407.593)(891.4591, 2035.36)" Brevetoxin A FindByFormula + C16839 866.4762 7.624 Brevetoxin A + 7.62475 "Brevetoxin A [ C49 H70 O13, db=75.68, tgt=, overall=75.68, CAS ID=98112-41-5, KEGG ID=C16839, METLIN ID=71378 ]" 98112-41-5 "(889.4746, 26336.979)(890.4726, 11762.434)(891.4645, 3256.3452)(892.47, 1559.05)" Brevetoxin A + 7.62475 FindByFormula + C16839 888.4778 7.62475 Bromocriptine "Bromocriptine [ C32 H40 Br N5 O5, db=10.66, tgt=, overall=10.66, CAS ID=25614-03-3, KEGG ID=C06856, HMP ID=HMDB15331, METLIN ID=1380 ]" 25614-03-3 "(654.2271, 3264.71)(654.73975, 541.17334)(655.2287, 1526.0101)" Bromocriptine FindByFormula HMDB15331 + C06856 1306.4384 15.0963335 Bromocriptine + 15.1168995 "Bromocriptine [ C32 H40 Br N5 O5, db=69.17, tgt=, overall=69.17, CAS ID=25614-03-3, KEGG ID=C06856, HMP ID=HMDB15331, METLIN ID=1380 ]" 25614-03-3 "(654.2278, 4516.9)(655.2298, 1718.949)(656.2274, 629.881)" Bromocriptine + 15.1168995 FindByFormula HMDB15331 + C06856 653.2213 15.1168995 Brompheniramine (monodemethylated) "Brompheniramine (monodemethylated) [ C15 H17 Br N2, db=60.70, tgt=, overall=60.70, CAS ID=18453-10-6, METLIN ID=1384 ]" 18453-10-6 "(303.0492, 2758.5674)(304.05884, 643.35)(305.0486, 736.19)" Brompheniramine (monodemethylated) FindByFormula - 304.0564 1.2904999 Brugine "Brugine [ C12 H19 N O2 S2, db=63.90, tgt=, overall=63.90, CAS ID=14912-30-2, KEGG ID=C10849, METLIN ID=68628 ]" 14912-30-2 "(296.0744, 6376.0137)(297.07617, 1059.9333)" Brugine FindByFormula + C10849 295.0694 1.2466667 Bucharidine "Bucharidine [ C19 H25 N O4, db=79.52, tgt=, overall=79.52, CAS ID=25865-94-5, KEGG ID=C10652, METLIN ID=68466 ]" 25865-94-5 "(330.17032, 990.4)(331.17227, 186.39001)" Bucharidine FindByFormula - C10652 331.179 7.4176 Bufadienolide "Bufadienolide [ C24 H34 O2, db=91.88, tgt=, overall=91.88, CAS ID=29565-35-3, KEGG ID=C16921, METLIN ID=71434 ]" 29565-35-3 "(355.26254, 8348.773)(356.26602, 2310.8132)(357.26596, 639.30664)(393.22327, 5828.73)" Bufadienolide FindByFormula + C16921 354.2545 9.598001 Bufexamac "Bufexamac [ C12 H17 N O3, db=81.73, tgt=, overall=81.73, CAS ID=2438-72-4, KEGG ID=D01271, METLIN ID=44293 ]" 2438-72-4 "(224.12854, 3548.825)(225.1307, 603.355)" Bufexamac FindByFormula + D01271 223.1202 3.9015 Bufotalin "Bufotalin [ C26 H36 O6, db=76.65, tgt=, overall=76.65, CAS ID=471-95-4, KEGG ID=C16923, METLIN ID=71435 ]" 471-95-4 "(445.25946, 916.965)(446.26324, 282.685)" Bufotalin FindByFormula + C16923 444.2527 17.627499 Bupivacaine "Bupivacaine [ C18 H28 N2 O, db=82.47, tgt=, overall=82.47, CAS ID=18010-40-7, KEGG ID=C07529, METLIN ID=1406 ]" 18010-40-7 "(289.22836, 3706.7026)(290.23187, 799.6175)" Bupivacaine FindByFormula + C07529 288.2211 8.83125 Buprenorphine "Buprenorphine [ C29 H41 N O4, db=16.78, tgt=, overall=16.78, CAS ID=52485-79-7, KEGG ID=C08007, HMP ID=HMDB15057, METLIN ID=1420 ]" 52485-79-7 "(468.30905, 1152.665)(469.3031, 374.875)(470.3066, 346.76)(490.29352, 1590.12)(491.2821, 633.305)(492.284, 492.1)" Buprenorphine FindByFormula HMDB15057 + C08007 467.301 15.632 Butralin "Butralin [ C14 H21 N3 O4, db=35.43, tgt=, overall=35.43, CAS ID=33629-47-9, KEGG ID=C18582, METLIN ID=72384 ]" 33629-47-9 "(274.17572, 1462.79)(275.18347, 261.16)(296.1617, 2559.6)(297.1521, 461.89)(298.1472, 408.48)" Butralin FindByFormula + C18582 273.1704 1.8695 Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside "Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside [ C36 H66 O12, db=96.87, tgt=, overall=96.87, Lipid ID=LMSL05000005, METLIN ID=102929 ]" "(713.4435, 10125.27)(714.4469, 4059.6057)(715.4482, 1094.4513)(716.4486, 277.61786)" Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside FindByFormula + LMSL05000005 712.4355 15.791702 Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside + 15.798336 "Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside [ C36 H66 O12, db=95.91, tgt=, overall=95.91, Lipid ID=LMSL05000005, METLIN ID=102929 ]" "(713.4438, 8523.465)(714.44696, 3424.3198)(715.44763, 961.84735)" Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside + 15.798336 FindByFormula + LMSL05000005 712.4381 15.798336 Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside + 15.879126 "Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside [ C36 H66 O12, db=89.62, tgt=, overall=89.62, Lipid ID=LMSL05000005, METLIN ID=102929 ]" "(713.4425, 9942.558)(714.44495, 4029.7773)(715.4471, 1109.7538)(716.4515, 435.235)" Butyl 4'-O-butanoyl-6-O-hexadecanoyl-neohesperidoside + 15.879126 FindByFormula + LMSL05000005 712.4351 15.879126 BW A868C "BW A868C [ C25 H37 N3 O5, db=91.41, tgt=, overall=91.41, CAS ID=118675-50-6, METLIN ID=45418 ]" 118675-50-6 "(1001.458, 101.62)(482.26163, 12731.685)(483.26395, 3141.1038)(484.27145, 710.606)(485.264, 251.18)" BW A868C FindByFormula + 481.2507 15.197183 BW A868C - 7.0206003 "BW A868C [ C25 H37 N3 O5, db=90.38, tgt=, overall=90.38, CAS ID=118675-50-6, METLIN ID=45418 ]" 118675-50-6 "(458.2658, 7591.578)(459.267, 1839.5801)(460.26602, 310.978)" BW A868C - 7.0206003 FindByFormula - 459.2723 7.0206003 BW A868C - 7.0461254 "BW A868C [ C25 H37 N3 O5, db=82.24, tgt=, overall=82.24, CAS ID=118675-50-6, METLIN ID=45418 ]" 118675-50-6 "(458.26514, 5127.6523)(459.265, 1265.225)(460.2754, 23.66)" BW A868C - 7.0461254 FindByFormula - 459.2708 7.0461254 BW A868C - 7.6151257 "BW A868C [ C25 H37 N3 O5, db=80.83, tgt=, overall=80.83, CAS ID=118675-50-6, METLIN ID=45418 ]" 118675-50-6 "(458.26495, 1704.9625)(459.2657, 457.24377)(460.25848, 68.475006)" BW A868C - 7.6151257 FindByFormula - 459.2715 7.6151257 BW A868C + 15.194699 "BW A868C [ C25 H37 N3 O5, db=74.66, tgt=, overall=74.66, CAS ID=118675-50-6, METLIN ID=45418 ]" 118675-50-6 "(482.2618, 20429.938)(483.26303, 4904.1353)" BW A868C + 15.194699 FindByFormula + 481.254 15.194699 BW A868C + 7.5944996 "BW A868C [ C25 H37 N3 O5, db=63.20, tgt=, overall=63.20, CAS ID=118675-50-6, METLIN ID=45418 ]" 118675-50-6 "(482.2636, 2799.525)(483.26117, 1026.375)" BW A868C + 7.5944996 FindByFormula + 481.2544 7.5944996 C10 H10 N4 " [ C10 H10 N4, mfg=57.59, tgt=, overall=57.59 ]" "(187.09845, 2905.9883)(188.09831, 497.94217)(189.09851, 441.40997)(209.07954, 1822.1)" C10 H10 N4 FindByFormula + 186.0907 6.9561577 C10 H10 N4 + 7.035333 " [ C10 H10 N4, mfg=70.95, tgt=, overall=70.95 ]" "(187.09839, 2764.1501)(188.09856, 560.9533)(189.0979, 168.23)(209.07922, 1354.1951)" C10 H10 N4 + 7.035333 FindByFormula + 186.0904 7.035333 C10 H11 N9 O3 S " [ C10 H11 N9 O3 S, mfg=73.41, tgt=, overall=73.41 ]" "(336.0643, 3532.8252)(337.0652, 442.755)" C10 H11 N9 O3 S FindByFormula - 337.0715 1.059 C10 H13 Cl3 N10 O4 " [ C10 H13 Cl3 N10 O4, mfg=94.51, tgt=, overall=94.51 ]" "(441.01202, 1607.11)(442.01373, 219.94)(443.00684, 1678.5)(444.01065, 206.04)(445.00763, 513.02)(446.0106, 49.19)(447.002, 137.08)" C10 H13 Cl3 N10 O4 FindByFormula - 442.0203 7.6809998 C10 H13 N O2 " [ C10 H13 N O2, mfg=78.34, tgt=, overall=78.34 ]" "(180.10289, 9589.671)(181.10466, 1364.6069)(202.08624, 823.515)" C10 H13 N O2 FindByFormula + 179.0958 8.521 C10 H13 N O2 + 8.277 " [ C10 H13 N O2, mfg=68.74, tgt=, overall=68.74 ]" "(180.103, 5428.758)(181.1048, 1006.82007)" C10 H13 N O2 + 8.277 FindByFormula + 179.0991 8.277 C10 H13 N O2 + 9.065 " [ C10 H13 N O2, mfg=76.28, tgt=, overall=76.28 ]" "(180.1031, 3534.0151)(181.104, 435.255)" C10 H13 N O2 + 9.065 FindByFormula + 179.0955 9.065 C10 H13 N5 O2 " [ C10 H13 N5 O2, mfg=68.62, tgt=, overall=68.62 ]" "(236.11325, 601.53)(258.09692, 2895.7998)(259.09808, 633.08997)" C10 H13 N5 O2 FindByFormula + 235.1077 2.6805 C10 H13 N7 O3 S3 " [ C10 H13 N7 O3 S3, mfg=82.15, tgt=, overall=82.15 ]" "(376.03174, 3291.0698)(377.0388, 636.285)(378.0256, 507.315)(398.0124, 2439.67)(399.01703, 216.29999)" C10 H13 N7 O3 S3 FindByFormula + 375.0238 1.05 C10 H14 N6 " [ C10 H14 N6, mfg=87.71, tgt=, overall=87.71 ]" "(217.1208, 2460.7068)(218.12297, 310.02664)" C10 H14 N6 FindByFormula - 218.1274 1.915 C10 H14 N6 - 1.119 " [ C10 H14 N6, mfg=77.86, tgt=, overall=77.86 ]" "(471.2256, 378.41)(217.1221, 1672.82)(218.1239, 176.295)" C10 H14 N6 - 1.119 FindByFormula - 218.1287 1.119 C10 H14 N6 - 1.8416666 " [ C10 H14 N6, mfg=83.57, tgt=, overall=83.57 ]" "(217.12154, 10577.374)(218.12428, 1227.3434)" C10 H14 N6 - 1.8416666 FindByFormula - 218.1282 1.8416666 C10 H14 O6 " [ C10 H14 O6, mfg=82.06, tgt=, overall=82.06 ]" "(229.07181, 3210.4365)(230.07333, 349.85373)" C10 H14 O6 FindByFormula - 230.0789 1.520875 C10 H16 O5 " [ C10 H16 O5, mfg=98.40, tgt=, overall=98.40 ]" "(217.10722, 3507.7993)(218.10976, 306.265)(255.06369, 981.28644)(239.08955, 53248.863)(240.09293, 6448.2163)(241.09479, 1045.9729)" C10 H16 O5 FindByFormula + 216.1008 8.452299 C10 H18 N2 " [ C10 H18 N2, mfg=66.15, tgt=, overall=66.15 ]" "(167.15633, 5402.955)(168.15462, 589.14166)" C10 H18 N2 FindByFormula + 166.1497 1.9566666 C10 H18 N2 O S " [ C10 H18 N2 O S, mfg=51.01, tgt=, overall=51.01 ]" "(429.23276, 3978.0703)(430.23853, 1182.9567)(215.1213, 462.58)" C10 H18 N2 O S FindByFormula + 214.1126 13.917333 C10 H18 N2 O S + 12.698 " [ C10 H18 N2 O S, mfg=56.83, tgt=, overall=56.83 ]" "(429.23383, 3838.725)(430.24036, 1059.025)(215.1179, 438.98)" C10 H18 N2 O S + 12.698 FindByFormula + 214.1138 12.698 C10 H18 N8 O " [ C10 H18 N8 O, mfg=77.76, tgt=, overall=77.76 ]" "(533.32904, 4318.727)(534.3297, 1366.2015)(555.3109, 2478.2727)(267.1707, 3015.238)" C10 H18 N8 O FindByFormula + 266.1621 2.3385332 C10 H19 N O4 " [ C10 H19 N O4, mfg=98.33, tgt=, overall=98.33 ]" "(435.26874, 408.88504)(436.269, 433.26)(473.227, 230.91444)(457.24893, 360.972)(218.13916, 102512.61)(219.14166, 11573.832)(220.14288, 1540.8915)(256.09402, 1121.5833)(257.09845, 206.70613)(240.12082, 6794.019)(241.11966, 319.23505)(242.12256, 135.02666)" C10 H19 N O4 FindByFormula + 217.1325 1.3798333 C10 H2 N2 O3 " [ C10 H2 N2 O3, mfg=61.24, tgt=, overall=61.24 ]" "(199.01324, 2404.635)(200.01764, 599.345)" C10 H2 N2 O3 FindByFormula + 198.0066 27.0075 C10 H2 O13 S " [ C10 H2 O13 S, mfg=78.88, tgt=, overall=78.88 ]" "(362.92664, 4265.793)(363.9295, 305.763)(364.93005, 200.71089)" C10 H2 O13 S FindByFormula + 361.9185 26.485699 C10 H2 O13 S + 26.557842 " [ C10 H2 O13 S, mfg=74.14, tgt=, overall=74.14 ]" "(362.92657, 4674.9297)(363.92932, 307.25443)(364.9323, 137.30376)" C10 H2 O13 S + 26.557842 FindByFormula + 361.919 26.557842 C10 H2 O13 S + 26.675615 " [ C10 H2 O13 S, mfg=78.88, tgt=, overall=78.88 ]" "(362.9265, 4546.3384)(363.92947, 342.35953)(364.92944, 229.33781)" C10 H2 O13 S + 26.675615 FindByFormula + 361.9185 26.675615 C10 H2 O13 S + 26.8267 " [ C10 H2 O13 S, mfg=80.71, tgt=, overall=80.71 ]" "(362.9265, 3357.9148)(363.92935, 275.63)(364.92822, 181.20332)" C10 H2 O13 S + 26.8267 FindByFormula + 361.9182 26.8267 C10 H20 N14 " [ C10 H20 N14, mfg=76.90, tgt=, overall=76.90 ]" "(169.10684, 1992.6299)(169.61029, 383.25)(337.2057, 10349.41)(338.20844, 2199.83)" C10 H20 N14 FindByFormula + 336.1987 18.224998 C10 H20 N6 O5 " [ C10 H20 N6 O5, mfg=75.44, tgt=, overall=75.44 ]" "(303.14078, 3056.7488)(304.1434, 535.0725)" C10 H20 N6 O5 FindByFormula - 304.148 8.64825 C10 H22 N2 O " [ C10 H22 N2 O, mfg=95.65, tgt=, overall=95.65 ]" "(187.18086, 10176.777)(188.18236, 1263.5073)(189.18352, 144.44571)(225.1367, 671.2)(209.16214, 1521.665)(210.1666, 254.91402)" C10 H22 N2 O FindByFormula + 186.1735 4.175091 C10 H22 N2 O + 4.2627997 " [ C10 H22 N2 O, mfg=84.72, tgt=, overall=84.72 ]" "(187.18086, 12078.53)(188.18286, 1610.84)(225.1347, 236.66)(209.16219, 1939.4818)(210.1674, 220.9375)" C10 H22 N2 O + 4.2627997 FindByFormula + 186.1733 4.2627997 C10 H22 O8 S " [ C10 H22 O8 S, mfg=79.13, tgt=, overall=79.13 ]" "(303.11145, 5944.9253)(304.11023, 1156.81)(305.11105, 623.41003)(325.0908, 433.93)" C10 H22 O8 S FindByFormula + 302.1064 1.1489999 C10 H24 N10 O2 " [ C10 H24 N10 O2, mfg=70.76, tgt=, overall=70.76 ]" "(317.21643, 2137.46)(318.21808, 509.91003)(355.1777, 864.94)" C10 H24 N10 O2 FindByFormula + 316.2109 1.106 C10 H24 N2 O3 " [ C10 H24 N2 O3, mfg=98.33, tgt=, overall=98.33 ]" "(221.18633, 9484.984)(222.18861, 1191.438)(223.19054, 191.66)" C10 H24 N2 O3 FindByFormula + 220.1787 0.9183333 C10 H24 N8 O S " [ C10 H24 N8 O S, mfg=87.32, tgt=, overall=87.32 ]" "(305.1853, 5990.28)(306.18814, 1308.7267)(307.18634, 241.43)(343.14264, 402.15)(327.16833, 12784.738)(328.17178, 1195.61)(329.17215, 421.81998)" C10 H24 N8 O S FindByFormula + 304.1786 9.592999 C10 H30 N8 O4 S " [ C10 H30 N8 O4 S, mfg=85.33, tgt=, overall=85.33 ]" "(359.21725, 2447.69)(360.22034, 334.0)(361.2272, 231.21)" C10 H30 N8 O4 S FindByFormula + 358.2082 11.498 C10 H8 N4 O4 " [ C10 H8 N4 O4, mfg=98.12, tgt=, overall=98.12 ]" "(249.06142, 7152.9097)(250.06404, 868.4044)(251.06339, 190.10048)" C10 H8 N4 O4 FindByFormula + 248.0538 4.4449387 C10 H8 N4 O4 + 4.4231114 " [ C10 H8 N4 O4, mfg=95.41, tgt=, overall=95.41 ]" "(249.06146, 8590.669)(250.06418, 1128.6073)(251.0766, 218.99)" C10 H8 N4 O4 + 4.4231114 FindByFormula + 248.0542 4.4231114 C10 H8 N6 O2 " [ C10 H8 N6 O2, mfg=96.38, tgt=, overall=96.38 ]" "(279.04095, 17382.535)(280.04395, 1861.3895)(281.03796, 5907.2764)(282.04, 725.71295)(243.06352, 19994.387)(244.06685, 2179.702)(245.06783, 428.12817)" C10 H8 N6 O2 FindByFormula - 244.0705 1.1513809 C10 H8 N8 O5 S " [ C10 H8 N8 O5 S, mfg=97.37, tgt=, overall=97.37 ]" "(353.04123, 7040.8823)(354.04233, 1062.7999)(355.04092, 314.25168)" C10 H8 N8 O5 S FindByFormula + 352.0352 1.2833334 C10 H9 N5 O4 S " [ C10 H9 N5 O4 S, mfg=72.99, tgt=, overall=72.99 ]" "(294.0293, 2782.36)(295.03287, 378.8513)" C10 H9 N5 O4 S FindByFormula - 295.0358 1.9667499 C11 H Cl O2 " [ C11 H Cl O2, mfg=60.07, tgt=, overall=60.07 ]" "(200.97186, 5935.692)(201.974, 1576.4938)(202.97043, 1909.0382)(203.97021, 246.24857)(238.92754, 279.3033)(222.9536, 337.0)" C11 H Cl O2 FindByFormula + 199.9644 27.155813 C11 H Cl O2 + 27.09 " [ C11 H Cl O2, mfg=55.52, tgt=, overall=55.52 ]" "(200.9717, 5671.8184)(201.97374, 1499.9579)(202.9704, 1714.796)(203.96786, 250.076)(222.9562, 409.506)" C11 H Cl O2 + 27.09 FindByFormula + 199.9637 27.09 C11 H Cl3 N2 O S5 " [ C11 H Cl3 N2 O S5, mfg=47.28, tgt=, overall=47.28 ]" "(884.55884, 6798.83)(885.5583, 3762.69)(886.56165, 1356.32)(442.7827, 1870.81)" C11 H Cl3 N2 O S5 FindByFormula + 441.7764 1.9735 C11 H14 N10 " [ C11 H14 N10, mfg=81.72, tgt=, overall=81.72 ]" "(285.13364, 5913.6333)(286.13647, 731.55664)" C11 H14 N10 FindByFormula - 286.1379 7.493 C11 H14 N6 O " [ C11 H14 N6 O, mfg=79.61, tgt=, overall=79.61 ]" "(245.11676, 2257.055)(246.1172, 330.24)" C11 H14 N6 O FindByFormula - 246.1236 1.1245 C11 H15 N3 O3 " [ C11 H15 N3 O3, mfg=69.86, tgt=, overall=69.86 ]" "(236.10434, 1532.0126)(237.10768, 352.2725)" C11 H15 N3 O3 FindByFormula - 237.1118 12.0345 C11 H15 N3 O3 S " [ C11 H15 N3 O3 S, mfg=95.84, tgt=, overall=95.84 ]" "(270.09164, 7513.852)(271.09375, 942.56665)(272.0887, 444.9717)" C11 H15 N3 O3 S FindByFormula + 269.085 3.5175002 C11 H15 N3 O3 S + 3.5175002 " [ C11 H15 N3 O3 S, mfg=95.84, tgt=, overall=95.84 ]" "(270.09164, 7513.852)(271.09375, 942.56665)(272.0887, 444.9717)" C11 H15 N3 O3 S + 3.5175002 FindByFormula + 269.0846 3.5175002 C11 H16 N10 O " [ C11 H16 N10 O, mfg=96.17, tgt=, overall=96.17 ]" "(609.3109, 672.83203)(305.1577, 15389.854)(306.16113, 2306.6375)(307.15982, 392.26587)" C11 H16 N10 O FindByFormula + 304.1493 6.9247894 C11 H16 N6 " [ C11 H16 N6, mfg=84.83, tgt=, overall=84.83 ]" "(231.1372, 4614.7666)(232.1396, 649.88666)" C11 H16 N6 FindByFormula - 232.144 1.8636667 C11 H17 N11 " [ C11 H17 N11, mfg=80.77, tgt=, overall=80.77 ]" "(304.17337, 3539.5664)(305.17755, 628.1667)" C11 H17 N11 FindByFormula + 303.1658 10.5563345 C11 H19 N3 S2 " [ C11 H19 N3 S2, mfg=83.91, tgt=, overall=41.96 ]" "(258.11115, 5224.191)(259.11575, 533.4629)(260.1127, 269.085)(296.0669, 6737.527)(297.06882, 1184.545)(298.06543, 1354.0476)(280.09344, 3712.5522)(281.09497, 458.50406)" C11 H19 N3 S2 FindByFormula + 257.1036 0.9251538 C11 H19 N7 " [ C11 H19 N7, mfg=69.91, tgt=, overall=69.91 ]" "(250.17831, 2079.4038)(251.17993, 495.38397)" C11 H19 N7 FindByFormula + 249.1708 11.020599 C11 H19 N7 O " [ C11 H19 N7 O, mfg=94.09, tgt=, overall=94.09 ]" "(266.17303, 15126.765)(267.17673, 2372.5374)(268.1792, 292.5719)(288.1539, 582.1448)" C11 H19 N7 O FindByFormula + 265.165 10.125885 C11 H19 N7 O9 " [ C11 H19 N7 O9, mfg=81.85, tgt=, overall=81.85 ]" "(392.1174, 5754.8447)(393.12085, 985.42004)" C11 H19 N7 O9 FindByFormula - 393.1243 4.0480003 C11 H2 N2 O3 S3 " [ C11 H2 N2 O3 S3, mfg=56.74, tgt=, overall=56.74 ]" "(304.91434, 6276.7246)(305.91754, 403.74268)" C11 H2 N2 O3 S3 FindByFormula - 305.9223 27.316267 C11 H2 N2 O3 S3 - 27.359854 " [ C11 H2 N2 O3 S3, mfg=51.12, tgt=, overall=51.12 ]" "(304.91367, 6245.759)(305.91672, 405.81357)" C11 H2 N2 O3 S3 - 27.359854 FindByFormula - 305.9208 27.359854 C11 H2 N2 O4 S2 " [ C11 H2 N2 O4 S2, mfg=77.45, tgt=, overall=77.45 ]" "(288.93674, 2898.5134)(289.93817, 542.9647)(290.93536, 523.04956)" C11 H2 N2 O4 S2 FindByFormula - 289.9442 27.218807 C11 H20 N2 O3 S4 " [ C11 H20 N2 O3 S4, mfg=87.11, tgt=, overall=87.11 ]" "(357.04248, 2128.9167)(358.04526, 251.50334)(359.0357, 338.08502)" C11 H20 N2 O3 S4 FindByFormula + 356.0376 0.9883333 C11 H21 N O2 " [ C11 H21 N O2, mfg=83.02, tgt=, overall=83.02 ]" "(200.16402, 3157.955)(201.16626, 451.30997)" C11 H21 N O2 FindByFormula + 199.1563 1.2804999 C11 H21 N O5 " [ C11 H21 N O5, mfg=97.88, tgt=, overall=97.88 ]" "(495.28735, 1007.0776)(496.28955, 440.42444)(497.27652, 1327.352)(517.2683, 159.12)(248.1499, 285756.47)(249.15332, 33578.484)(250.15463, 5048.5596)(270.13284, 2913.1785)(271.13235, 491.2171)" C11 H21 N O5 FindByFormula + 247.1429 1.1027727 C11 H24 N6 O4 S5 " [ C11 H24 N6 O4 S5, mfg=81.43, tgt=, overall=81.43 ]" "(465.05432, 2281.5234)(466.05093, 480.66333)(467.04752, 573.86334)(487.03122, 721.39996)" C11 H24 N6 O4 S5 FindByFormula + 464.0448 0.7816667 C11 H25 N O2 " [ C11 H25 N O2, mfg=69.57, tgt=, overall=69.57 ]" "(204.19803, 66705.766)(205.20053, 3971.437)(206.2016, 420.03)" C11 H25 N O2 FindByFormula + 203.1915 1.0375999 C11 H26 Cl N3 O S3 " [ C11 H26 Cl N3 O S3, mfg=83.76, tgt=, overall=41.88 ]" "(348.09985, 1746.385)(349.10257, 352.78)(350.09967, 830.11)" C11 H26 Cl N3 O S3 FindByFormula + 347.0914 14.084 C11 H3 Cl3 O9 S5 " [ C11 H3 Cl3 O9 S5, mfg=45.17, tgt=, overall=45.17 ]" "(1086.4841, 4712.8076)(1087.4886, 2522.49)(1088.4884, 1252.5775)(1089.4861, 317.54752)(542.7385, 1183.2075)" C11 H3 Cl3 O9 S5 FindByFormula - 543.7461 7.5894995 C11 H3 N3 O4 " [ C11 H3 N3 O4, mfg=57.23, tgt=, overall=57.23 ]" "(242.01805, 1059.755)(243.01955, 234.595)" C11 H3 N3 O4 FindByFormula + 241.0104 1.163 C11 H31 Cl N10 O2 " [ C11 H31 Cl N10 O2, mfg=57.59, tgt=, overall=28.80 ]" "(371.2414, 4054.495)(372.2467, 1254.3049)(373.23236, 2305.54)" C11 H31 Cl N10 O2 FindByFormula + 370.2327 1.133 C11 H4 N2 O10 S4 " [ C11 H4 N2 O10 S4, mfg=79.65, tgt=, overall=79.65 ]" "(452.8819, 1925.445)(453.88034, 356.89752)(454.87665, 312.4)" C11 H4 N2 O10 S4 FindByFormula + 451.875 0.30375 C11 H4 N2 O10 S4 + 1.4427501 " [ C11 H4 N2 O10 S4, mfg=88.75, tgt=, overall=88.75 ]" "(452.8813, 2711.4187)(453.88245, 553.515)(454.87897, 709.31006)" C11 H4 N2 O10 S4 + 1.4427501 FindByFormula + 451.8749 1.4427501 C11 H4 N2 O10 S4 + 1.449 " [ C11 H4 N2 O10 S4, mfg=88.54, tgt=, overall=88.54 ]" "(452.88138, 2002.8281)(453.88293, 388.7991)(454.87894, 557.5574)" C11 H4 N2 O10 S4 + 1.449 FindByFormula + 451.8751 1.449 C11 H4 N2 O12 S2 " [ C11 H4 N2 O12 S2, mfg=52.10, tgt=, overall=52.10 ]" "(420.9273, 4277.2075)(421.92404, 415.5175)" C11 H4 N2 O12 S2 FindByFormula + 419.9195 7.0602503 C11 H6 N6 O5 " [ C11 H6 N6 O5, mfg=79.81, tgt=, overall=79.81 ]" "(301.0332, 7855.04)(302.03668, 1411.365)" C11 H6 N6 O5 FindByFormula - 302.0401 9.5665 C11 H6 N6 O8 S " [ C11 H6 N6 O8 S, mfg=95.20, tgt=, overall=95.20 ]" "(380.98886, 10620.699)(381.9922, 1954.535)(382.98834, 916.56506)" C11 H6 N6 O8 S FindByFormula - 381.9989 9.7415 C11 H8 N6 O2 S " [ C11 H8 N6 O2 S, mfg=74.42, tgt=, overall=74.42 ]" "(599.07086, 484.08337)(289.04962, 2848.572)(290.05078, 375.98468)(311.03198, 2848.4653)(312.03394, 470.01532)" C11 H8 N6 O2 S FindByFormula + 288.0419 4.4500556 C11 H8 N8 O2 " [ C11 H8 N8 O2, mfg=97.60, tgt=, overall=97.60 ]" "(283.0699, 8765.851)(284.0728, 1158.8414)(285.07233, 206.18713)" C11 H8 N8 O2 FindByFormula - 284.0788 1.6098572 C11 H9 N O2 " [ C11 H9 N O2, mfg=81.56, tgt=, overall=81.56 ]" "(413.08618, 693.17004)(397.11172, 4005.2083)(398.1159, 849.1019)(188.06767, 1875.1675)(189.07005, 237.47928)(226.02464, 6069.0947)(227.02776, 619.9325)(228.02315, 514.8771)(210.0504, 35742.895)(211.05353, 3921.1724)(212.056, 589.6555)" C11 H9 N O2 FindByFormula + 187.0607 1.9487422 C11 H9 N9 O " [ C11 H9 N9 O, mfg=78.80, tgt=, overall=78.80 ]" "(318.0631, 724.03)(282.08597, 2375.08)(283.0862, 466.19)" C11 H9 N9 O FindByFormula - 283.093 1.288 C12 H10 N8 O7 " [ C12 H10 N8 O7, mfg=76.22, tgt=, overall=76.22 ]" "(377.06, 2507.18)(378.06372, 545.16504)" C12 H10 N8 O7 FindByFormula - 378.0672 8.992001 C12 H12 Cl N O2 " [ C12 H12 Cl N O2, mfg=73.05, tgt=, overall=73.05 ]" "(238.06396, 2648.06)(239.07109, 505.33334)(240.05737, 1012.3567)" C12 H12 Cl N O2 FindByFormula + 237.057 9.721667 C12 H13 N3 O5 " [ C12 H13 N3 O5, mfg=77.05, tgt=, overall=77.05 ]" "(280.09283, 9778.561)(281.09375, 962.81683)" C12 H13 N3 O5 FindByFormula + 279.0864 0.78736836 C12 H13 N3 O5 + 0.78738457 " [ C12 H13 N3 O5, mfg=81.49, tgt=, overall=81.49 ]" "(280.09265, 10493.473)(281.09488, 1073.2478)" C12 H13 N3 O5 + 0.78738457 FindByFormula + 279.0857 0.78738457 C12 H13 N3 O5 + 1.03 " [ C12 H13 N3 O5, mfg=60.46, tgt=, overall=60.46 ]" "(280.09305, 5854.68)(281.09674, 1844.725)" C12 H13 N3 O5 + 1.03 FindByFormula + 279.0853 1.03 C12 H13 N3 O5 + 1.2394999 " [ C12 H13 N3 O5, mfg=54.16, tgt=, overall=54.16 ]" "(597.14, 334.63)(280.09265, 2921.555)(281.0924, 834.07745)" C12 H13 N3 O5 + 1.2394999 FindByFormula + 279.0901 1.2394999 C12 H14 O5 " [ C12 H14 O5, mfg=90.71, tgt=, overall=90.71 ]" "(239.08989, 53139.715)(240.09335, 6406.2544)(241.09514, 1031.2126)" C12 H14 O5 FindByFormula + 238.0819 8.453589 C12 H15 N O2 S " [ C12 H15 N O2 S, mfg=90.73, tgt=, overall=90.73 ]" "(238.0907, 8701.985)(239.0915, 1318.49)(240.08914, 408.695)" C12 H15 N O2 S FindByFormula + 237.0851 8.7625 C12 H16 N12 O5 " [ C12 H16 N12 O5, mfg=74.30, tgt=, overall=74.30 ]" "(407.12793, 1686.2351)(408.13214, 369.93)" C12 H16 N12 O5 FindByFormula - 408.1355 8.8095 C12 H16 N6 O " [ C12 H16 N6 O, mfg=81.50, tgt=, overall=81.50 ]" "(259.1316, 1982.745)(260.13287, 229.33499)" C12 H16 N6 O FindByFormula - 260.1399 7.1895 C12 H16 O3 " [ C12 H16 O3, mfg=82.04, tgt=, overall=82.04 ]" "(207.1016, 1423.65)(208.10541, 199.69)" C12 H16 O3 FindByFormula - 208.1095 12.295 C12 H17 N7 " [ C12 H17 N7, mfg=77.86, tgt=, overall=77.86 ]" "(258.14862, 5502.83)(259.1495, 729.41003)" C12 H17 N7 FindByFormula - 259.1548 1.8415 C12 H18 N6 O2 " [ C12 H18 N6 O2, mfg=69.87, tgt=, overall=34.94 ]" "(279.1562, 2517.685)(280.15805, 640.81)" C12 H18 N6 O2 FindByFormula + 278.1509 1.344 C12 H18 N6 O2 - 14.761 " [ C12 H18 N6 O2, mfg=79.03, tgt=, overall=79.03 ]" "(277.14285, 1074.6499)(278.14597, 202.56)" C12 H18 N6 O2 - 14.761 FindByFormula - 278.1506 14.761 C12 H18 N6 O2 + 2.5266154 " [ C12 H18 N6 O2, mfg=93.86, tgt=, overall=46.93 ]" "(279.1565, 19519.592)(280.15945, 3087.0251)(281.1567, 914.54913)(301.13647, 307.34335)" C12 H18 N6 O2 + 2.5266154 FindByFormula + 278.1503 2.5266154 C12 H2 N2 O12 S2 " [ C12 H2 N2 O12 S2, mfg=73.82, tgt=, overall=73.82 ]" "(898.78174, 357.802)(430.9136, 5307.6104)(431.91635, 453.44376)(432.91754, 265.1)" C12 H2 N2 O12 S2 FindByFormula + 429.9068 26.511919 C12 H2 N2 O12 S2 + 0.762125 " [ C12 H2 N2 O12 S2, mfg=51.55, tgt=, overall=51.55 ]" "(898.7743, 368.258)(430.91296, 5546.5996)(431.92084, 484.26)" C12 H2 N2 O12 S2 + 0.762125 FindByFormula + 429.9067 0.762125 C12 H2 N2 O12 S2 + 26.527927 " [ C12 H2 N2 O12 S2, mfg=74.12, tgt=, overall=74.12 ]" "(898.772, 336.72)(430.91348, 5943.6978)(431.91632, 470.44357)(432.91718, 336.0625)" C12 H2 N2 O12 S2 + 26.527927 FindByFormula + 429.9059 26.527927 C12 H2 N2 O12 S2 + 26.546886 " [ C12 H2 N2 O12 S2, mfg=69.36, tgt=, overall=69.36 ]" "(898.78546, 288.65002)(430.91403, 6482.2427)(431.9175, 507.3542)(432.9168, 248.22003)" C12 H2 N2 O12 S2 + 26.546886 FindByFormula + 429.9072 26.546886 C12 H2 N2 O12 S2 + 26.911999 " [ C12 H2 N2 O12 S2, mfg=57.57, tgt=, overall=57.57 ]" "(430.9137, 3668.2202)(431.91498, 360.74)" C12 H2 N2 O12 S2 + 26.911999 FindByFormula + 429.9058 26.911999 C12 H2 N2 O12 S2 + 26.91225 " [ C12 H2 N2 O12 S2, mfg=72.00, tgt=, overall=72.00 ]" "(430.91376, 3312.9426)(431.91614, 312.9225)(432.9194, 160.24)" C12 H2 N2 O12 S2 + 26.91225 FindByFormula + 429.906 26.91225 C12 H2 O6 " [ C12 H2 O6, mfg=87.95, tgt=, overall=87.95 ]" "(484.984, 547.93)(242.9939, 8957.936)(243.99675, 862.48)(244.99374, 157.875)" C12 H2 O6 FindByFormula + 241.9832 8.9665 C12 H20 N12 O6 " [ C12 H20 N12 O6, mfg=94.20, tgt=, overall=94.20 ]" "(429.16998, 4366.685)(430.17035, 829.33)(431.1715, 242.345)" C12 H20 N12 O6 FindByFormula + 428.1636 7.488 C12 H21 N9 " [ C12 H21 N9, mfg=81.02, tgt=, overall=81.02 ]" "(292.19897, 3232.6802)(293.19888, 510.608)" C12 H21 N9 FindByFormula + 291.1915 0.8950001 C12 H22 N2 O9 " [ C12 H22 N2 O9, mfg=75.91, tgt=, overall=75.91 ]" "(337.1248, 3358.1465)(338.1271, 669.46497)" C12 H22 N2 O9 FindByFormula - 338.1343 9.007833 C12 H23 N O S " [ C12 H23 N O S, mfg=70.17, tgt=, overall=70.17 ]" "(230.15878, 7309.241)(231.16183, 989.2661)" C12 H23 N O S FindByFormula + 229.1516 1.2234 C12 H23 N O S + 1.3069999 " [ C12 H23 N O S, mfg=73.23, tgt=, overall=73.23 ]" "(230.15825, 14599.38)(231.1609, 1557.64)" C12 H23 N O S + 1.3069999 FindByFormula + 229.151 1.3069999 C12 H23 N O2 " [ C12 H23 N O2, mfg=96.86, tgt=, overall=96.86 ]" "(214.18083, 48090.484)(215.1831, 6778.6074)(216.18253, 624.57495)" C12 H23 N O2 FindByFormula + 213.1737 1.74825 C12 H23 N15 O " [ C12 H23 N15 O, mfg=71.23, tgt=, overall=71.23 ]" "(394.22787, 5336.6597)(395.23563, 1236.9984)" C12 H23 N15 O FindByFormula + 393.2189 9.958 C12 H23 N15 O + 9.430933 " [ C12 H23 N15 O, mfg=78.11, tgt=, overall=78.11 ]" "(394.2281, 13357.386)(395.23367, 2323.595)" C12 H23 N15 O + 9.430933 FindByFormula + 393.2207 9.430933 C12 H23 N7 O6 " [ C12 H23 N7 O6, mfg=78.00, tgt=, overall=78.00 ]" "(360.16296, 3460.86)(361.16382, 658.8225)" C12 H23 N7 O6 FindByFormula - 361.1727 7.87625 C12 H24 N2 O3 " [ C12 H24 N2 O3, mfg=67.48, tgt=, overall=67.48 ]" "(243.17354, 1070.7361)(244.17749, 122.132)" C12 H24 N2 O3 FindByFormula - 244.1807 7.3322 C12 H24 N6 O2 " [ C12 H24 N6 O2, mfg=78.88, tgt=, overall=78.88 ]" "(285.20374, 2789.47)(286.20685, 583.67596)" C12 H24 N6 O2 FindByFormula + 284.1965 12.8613 C12 H25 N3 S " [ C12 H25 N3 S, mfg=41.86, tgt=, overall=41.86 ]" "(487.35913, 1665.96)(488.362, 748.835)(509.3393, 1442.69)(510.3443, 613.06)" C12 H25 N3 S FindByFormula + 243.1758 1.9595001 C12 H26 N2 O3 " [ C12 H26 N2 O3, mfg=86.59, tgt=, overall=86.59 ]" "(247.20197, 5930.094)(248.2047, 830.5451)" C12 H26 N2 O3 FindByFormula + 246.1952 0.93324995 C12 H26 O4 S " [ C12 H26 O4 S, mfg=92.13, tgt=, overall=92.13 ]" "(265.14648, 9310.395)(266.15002, 1375.335)(267.14508, 472.07498)" C12 H26 O4 S FindByFormula - 266.1525 16.597 C12 H27 Cl N4 O11 " [ C12 H27 Cl N4 O11, mfg=88.53, tgt=, overall=88.53 ]" "(437.12903, 1848.5793)(438.13153, 398.9606)(439.1263, 712.86694)" C12 H27 Cl N4 O11 FindByFormula - 438.1368 15.379749 C12 H27 N " [ C12 H27 N, mfg=84.25, tgt=, overall=84.25 ]" "(186.22206, 4824.585)(187.22473, 791.0717)" C12 H27 N FindByFormula + 185.2147 10.9795885 C12 H27 N + 10.981055 " [ C12 H27 N, mfg=83.82, tgt=, overall=83.82 ]" "(186.22188, 4720.336)(187.22467, 807.1433)" C12 H27 N + 10.981055 FindByFormula + 185.2144 10.981055 C12 H27 N + 9.29475 " [ C12 H27 N, mfg=76.45, tgt=, overall=76.45 ]" "(186.22177, 1654.3175)(187.22707, 293.87)" C12 H27 N + 9.29475 FindByFormula + 185.2151 9.29475 C12 H27 N O2 " [ C12 H27 N O2, mfg=83.83, tgt=, overall=83.83 ]" "(218.21233, 11908.04)(219.21507, 1723.2075)(240.19255, 271.19998)" C12 H27 N O2 FindByFormula + 217.2048 8.7456255 C12 H28 N4 S " [ C12 H28 N4 S, mfg=66.70, tgt=, overall=66.70 ]" "(261.21246, 1424.6333)(262.20792, 199.16667)" C12 H28 N4 S FindByFormula + 260.2049 4.7243333 C12 H28 N6 " [ C12 H28 N6, mfg=81.10, tgt=, overall=81.10 ]" "(255.23135, 3918.08)(256.2345, 659.81)" C12 H28 N6 FindByFormula - 256.2375 14.4855 C12 H29 N11 O3 " [ C12 H29 N11 O3, mfg=90.99, tgt=, overall=90.99 ]" "(376.25113, 12349.375)(377.25406, 1935.7571)(378.25323, 397.7686)" C12 H29 N11 O3 FindByFormula + 375.2465 17.573616 C12 H3 Cl3 O10 S4 " [ C12 H3 Cl3 O10 S4, mfg=47.43, tgt=, overall=47.43 ]" "(1078.5337, 1673.9451)(1079.5354, 910.32996)(538.7605, 376.135)" C12 H3 Cl3 O10 S4 FindByFormula - 539.7702 6.7060003 C12 H4 N4 O4 " [ C12 H4 N4 O4, mfg=85.77, tgt=, overall=85.77 ]" "(269.0312, 9506.09)(270.0323, 802.075)(271.03143, 211.70499)" C12 H4 N4 O4 FindByFormula + 268.0225 1.3625 C12 O15 S3 " [ C12 O15 S3, mfg=68.43, tgt=, overall=68.43 ]" "(480.84973, 2777.7966)(481.8496, 438.25668)(482.84427, 219.10667)" C12 O15 S3 FindByFormula + 479.8416 27.532667 C12 O5 S2 " [ C12 O5 S2, mfg=35.54, tgt=, overall=35.54 ]" "(288.92264, 2242.7588)(289.92773, 180.89334)" C12 O5 S2 FindByFormula + 287.9158 28.056444 C13 H10 N8 O3 S " [ C13 H10 N8 O3 S, mfg=74.43, tgt=, overall=74.43 ]" "(357.0529, 4035.2915)(358.05554, 575.06055)" C13 H10 N8 O3 S FindByFormula - 358.0611 1.1955 C13 H12 N10 " [ C13 H12 N10, mfg=98.45, tgt=, overall=98.45 ]" "(309.13168, 8077.529)(310.13406, 1333.4801)(311.1354, 232.50285)" C13 H12 N10 FindByFormula + 308.1243 11.797429 C13 H14 N6 O5 " [ C13 H14 N6 O5, mfg=97.42, tgt=, overall=97.42 ]" "(333.09576, 7294.018)(334.099, 1088.0616)(335.0989, 220.50998)" C13 H14 N6 O5 FindByFormula - 334.1049 1.1475501 C13 H14 O S " [ C13 H14 O S, mfg=68.37, tgt=, overall=68.37 ]" "(219.0849, 3480.44)(220.0828, 509.41998)" C13 H14 O S FindByFormula + 218.0781 0.94350004 C13 H16 N14 O4 " [ C13 H16 N14 O4, mfg=82.73, tgt=, overall=41.37 ]" "(433.1551, 2201.5762)(434.1578, 489.378)" C13 H16 N14 O4 FindByFormula + 432.1448 24.2026 C13 H17 N5 " [ C13 H17 N5, mfg=95.32, tgt=, overall=95.32 ]" "(244.15616, 4285.29)(245.15848, 661.612)(246.15587, 143.295)(266.13724, 467.14664)(267.14136, 190.72)" C13 H17 N5 FindByFormula + 243.1469 6.1155996 C13 H17 N5 + 6.09525 " [ C13 H17 N5, mfg=81.86, tgt=, overall=81.86 ]" "(244.15642, 4464.4526)(245.15817, 861.775)" C13 H17 N5 + 6.09525 FindByFormula + 243.1498 6.09525 C13 H18 N6 S2 " [ C13 H18 N6 S2, mfg=88.15, tgt=, overall=88.15 ]" "(321.09787, 3162.9922)(322.0993, 487.27997)(323.0932, 370.558)" C13 H18 N6 S2 FindByFormula - 322.1065 8.023801 C13 H19 N O7 " [ C13 H19 N O7, mfg=83.92, tgt=, overall=83.92 ]" "(302.12277, 3509.1257)(303.12607, 560.984)" C13 H19 N O7 FindByFormula + 301.115 3.4329998 C13 H19 N3 O " [ C13 H19 N3 O, mfg=71.28, tgt=, overall=71.28 ]" "(234.15926, 2000.498)(235.15869, 331.88998)" C13 H19 N3 O FindByFormula + 233.1524 2.8642 C13 H19 N5 O3 " [ C13 H19 N5 O3, mfg=95.76, tgt=, overall=95.76 ]" "(294.15674, 178342.3)(295.15854, 33895.723)(296.1578, 4278.44)(297.1655, 891.51)(316.1398, 386.72)" C13 H19 N5 O3 FindByFormula + 293.1505 1.1013333 C13 H2 Cl N S " [ C13 H2 Cl N S, mfg=64.34, tgt=, overall=64.34 ]" "(239.96663, 5735.8076)(240.96681, 1114.3279)(241.96481, 1023.9269)(242.96461, 204.735)" C13 H2 Cl N S FindByFormula + 238.9595 27.223423 C13 H2 Cl N S + 27.217705 " [ C13 H2 Cl N S, mfg=64.07, tgt=, overall=64.07 ]" "(239.96658, 5754.3394)(240.96683, 1137.1482)(241.96472, 1035.4352)" C13 H2 Cl N S + 27.217705 FindByFormula + 238.9591 27.217705 C13 H2 N2 O7 S5 " [ C13 H2 N2 O7 S5, mfg=72.20, tgt=, overall=72.20 ]" "(458.8563, 2462.1653)(459.8562, 680.393)(460.84903, 592.704)" C13 H2 N2 O7 S5 FindByFormula + 457.8487 27.239502 C13 H2 N2 O7 S5 + 27.321499 " [ C13 H2 N2 O7 S5, mfg=66.85, tgt=, overall=66.85 ]" "(458.85675, 3194.21)(459.856, 982.04504)(460.84967, 929.63)" C13 H2 N2 O7 S5 + 27.321499 FindByFormula + 457.8487 27.321499 C13 H2 N2 O7 S5 + 27.329666 " [ C13 H2 N2 O7 S5, mfg=74.55, tgt=, overall=74.55 ]" "(458.856, 2243.9333)(459.85632, 638.8)(460.84814, 613.42)" C13 H2 N2 O7 S5 + 27.329666 FindByFormula + 457.8482 27.329666 C13 H2 N2 S2 " [ C13 H2 N2 S2, mfg=61.47, tgt=, overall=61.47 ]" "(248.95898, 8550.485)(249.96194, 387.7889)" C13 H2 N2 S2 FindByFormula - 249.9663 1.255 C13 H2 N2 S2 - 0.7625 " [ C13 H2 N2 S2, mfg=60.75, tgt=, overall=60.75 ]" "(248.9592, 3446.4849)(249.96286, 188.45999)" C13 H2 N2 S2 - 0.7625 FindByFormula - 249.966 0.7625 C13 H22 N4 O3 " [ C13 H22 N4 O3, mfg=97.94, tgt=, overall=97.94 ]" "(283.17447, 1301.9369)(284.18198, 180.13416)(321.13388, 1593.4733)(322.13266, 253.4225)(305.15796, 14928.181)(306.16116, 2178.197)(307.16006, 377.47998)" C13 H22 N4 O3 FindByFormula + 282.1684 6.9245453 C13 H22 O8 " [ C13 H22 O8, mfg=96.92, tgt=, overall=96.92 ]" "(307.13852, 18046.62)(308.14084, 2694.9358)(309.13876, 341.23404)" C13 H22 O8 FindByFormula + 306.1295 8.681857 C13 H23 N5 O3 " [ C13 H23 N5 O3, mfg=82.61, tgt=, overall=82.61 ]" "(298.18784, 4395.1494)(299.19147, 818.79614)(336.14603, 482.44598)(320.17047, 594.2688)" C13 H23 N5 O3 FindByFormula + 297.1813 0.7645384 C13 H23 N9 O2 " [ C13 H23 N9 O2, mfg=75.76, tgt=, overall=37.88 ]" "(338.20624, 5875.233)(339.2066, 1250.5865)" C13 H23 N9 O2 FindByFormula + 337.1979 7.814833 C13 H24 Cl N3 O " [ C13 H24 Cl N3 O, mfg=45.43, tgt=, overall=45.43 ]" "(585.2762, 428.51)(586.2942, 202.26)(569.3014, 185.99)(274.1673, 1163.93)(275.1689, 595.33)" C13 H24 Cl N3 O FindByFormula + 273.1604 1.8870001 C13 H24 N18 " [ C13 H24 N18, mfg=83.81, tgt=, overall=83.81 ]" "(431.2353, 932.52)(432.237, 220.8875)" C13 H24 N18 FindByFormula - 432.243 8.3275 C13 H24 N18 O " [ C13 H24 N18 O, mfg=83.55, tgt=, overall=83.55 ]" "(447.23026, 2329.8)(448.23047, 504.925)" C13 H24 N18 O FindByFormula - 448.2369 7.7635 C13 H25 N O2 " [ C13 H25 N O2, mfg=44.48, tgt=, overall=44.48 ]" "(228.19495, 951.98)(250.1779, 1354.86)(251.18243, 455.56998)" C13 H25 N O2 FindByFormula + 227.1889 10.976666 C13 H25 N O3 " [ C13 H25 N O3, mfg=97.95, tgt=, overall=97.95 ]" "(244.19116, 5367.1846)(245.19275, 834.8382)(282.14117, 1779.4645)(266.17316, 14462.57)(267.17697, 2285.7844)(268.1791, 303.9388)" C13 H25 N O3 FindByFormula + 243.1832 10.124001 C13 H25 N O3 - 10.126913 " [ C13 H25 N O3, mfg=82.64, tgt=, overall=82.64 ]" "(242.1753, 2838.5144)(243.17793, 433.5944)" C13 H25 N O3 - 10.126913 FindByFormula - 243.1806 10.126913 C13 H26 N4 O S " [ C13 H26 N4 O S, mfg=69.78, tgt=, overall=69.78 ]" "(285.174, 2743.1802)(286.17825, 430.855)" C13 H26 N4 O S FindByFormula - 286.1814 7.9135 C13 H28 N2 O3 " [ C13 H28 N2 O3, mfg=86.35, tgt=, overall=86.35 ]" "(261.2171, 6460.91)(262.21976, 921.07996)" C13 H28 N2 O3 FindByFormula + 260.2102 0.999 C13 H28 N2 O4 " [ C13 H28 N2 O4, mfg=81.01, tgt=, overall=81.01 ]" "(277.21182, 4793.0703)(278.21304, 748.4634)" C13 H28 N2 O4 FindByFormula + 276.2042 0.9246667 C13 H29 N " [ C13 H29 N, mfg=96.68, tgt=, overall=96.68 ]" "(200.23656, 5099.1616)(201.24017, 680.89166)(202.2424, 85.29)" C13 H29 N FindByFormula + 199.2322 10.213 C13 H29 N O " [ C13 H29 N O, mfg=96.62, tgt=, overall=96.62 ]" "(216.23184, 10725.83)(217.2356, 1867.53)(218.2396, 328.48)" C13 H29 N O FindByFormula + 215.2247 7.852 C13 H31 N7 O S " [ C13 H31 N7 O S, mfg=82.76, tgt=, overall=82.76 ]" "(334.2397, 6287.65)(335.23926, 1500.9767)(336.2381, 290.1967)(356.2162, 177.01)" C13 H31 N7 O S FindByFormula + 333.2322 9.028667 C13 H4 N4 O3 " [ C13 H4 N4 O3, mfg=65.16, tgt=, overall=65.16 ]" "(265.0355, 972.65497)(266.0349, 226.43)" C13 H4 N4 O3 FindByFormula + 264.0276 4.307 C13 H9 Cl " [ C13 H9 Cl, mfg=92.29, tgt=, overall=92.29 ]" "(201.04599, 4456.0)(202.0498, 742.625)(203.0436, 1571.9)" C13 H9 Cl FindByFormula + 200.0387 9.932 C14 Cl2 O6 " [ C14 Cl2 O6, mfg=63.68, tgt=, overall=63.68 ]" "(690.8193, 501.43)(334.91495, 736.635)(335.9123, 192.73499)(336.91415, 362.595)" C14 Cl2 O6 FindByFormula + 333.9081 0.2735 C14 H Cl O S2 " [ C14 H Cl O S2, mfg=67.91, tgt=, overall=67.91 ]" "(284.92487, 2018.8717)(285.9262, 554.14325)(286.91812, 736.0516)" C14 H Cl O S2 FindByFormula + 283.9187 27.1135 C14 H Cl O S2 + 27.129602 " [ C14 H Cl O S2, mfg=75.95, tgt=, overall=75.95 ]" "(284.92352, 2306.182)(285.92523, 697.931)(286.919, 1026.9299)" C14 H Cl O S2 + 27.129602 FindByFormula + 283.9153 27.129602 C14 H Cl3 N2 O2 S5 " [ C14 H Cl3 N2 O2 S5, mfg=47.62, tgt=, overall=47.62 ]" "(988.5392, 5120.8447)(989.5362, 2853.865)(494.77795, 1867.095)" C14 H Cl3 N2 O2 S5 FindByFormula + 493.7656 7.2355003 C14 H10 Cl N S " [ C14 H10 Cl N S, mfg=87.17, tgt=, overall=87.17 ]" "(260.02985, 7612.5503)(261.03345, 923.265)(262.02863, 2793.745)" C14 H10 Cl N S FindByFormula + 259.0227 8.195499 C14 H10 N2 " [ C14 H10 N2, mfg=97.92, tgt=, overall=97.92 ]" "(207.09204, 45266.184)(208.09555, 7692.125)(209.10199, 761.47003)" C14 H10 N2 FindByFormula + 206.0846 10.461 C14 H11 N11 O5 " [ C14 H11 N11 O5, mfg=75.49, tgt=, overall=75.49 ]" "(412.0858, 1898.8314)(413.08722, 445.56714)" C14 H11 N11 O5 FindByFormula - 413.0912 8.670714 C14 H12 N6 " [ C14 H12 N6, mfg=96.66, tgt=, overall=96.66 ]" "(263.10547, 9333.804)(264.1075, 1393.2906)(265.11105, 242.996)" C14 H12 N6 FindByFormula - 264.1135 7.2373996 C14 H14 N10 O6 " [ C14 H14 N10 O6, mfg=92.48, tgt=, overall=92.48 ]" "(419.11682, 9084.939)(420.12173, 1797.5468)(421.1289, 237.4)" C14 H14 N10 O6 FindByFormula + 418.1113 1.3633333 C14 H14 N6 " [ C14 H14 N6, mfg=83.17, tgt=, overall=83.17 ]" "(265.1216, 2305.3564)(266.12393, 345.51)" C14 H14 N6 FindByFormula - 266.1283 1.6586666 C14 H14 O9 S4 " [ C14 H14 O9 S4, mfg=74.65, tgt=, overall=74.65 ]" "(908.8883, 260.3)(909.8719, 233.22)(454.95612, 4070.3599)(455.9571, 488.48502)(456.96686, 819.67004)" C14 H14 O9 S4 FindByFormula + 453.9479 9.757999 C14 H15 N3 O4 S3 " [ C14 H15 N3 O4 S3, mfg=86.92, tgt=, overall=86.92 ]" "(386.0318, 6703.15)(387.0195, 1340.16)(388.0276, 1031.63)(423.9877, 2995.5)(408.01068, 2289.615)(409.00235, 712.56)" C14 H15 N3 O4 S3 FindByFormula + 385.0297 1.013 C14 H16 N10 O8 " [ C14 H16 N10 O8, mfg=96.06, tgt=, overall=96.06 ]" "(905.2263, 291.8)(927.21533, 477.015)(453.12198, 13259.216)(454.12543, 2891.2024)(455.12546, 716.34283)(456.153, 78.75)" C14 H16 N10 O8 FindByFormula + 452.1154 1.2047142 C14 H18 N10 O9 " [ C14 H18 N10 O9, mfg=93.95, tgt=, overall=93.95 ]" "(471.13232, 11340.54)(472.13583, 2664.688)(473.1393, 514.51)(493.1132, 1579.768)(494.1163, 436.7867)(495.12177, 130.665)" C14 H18 N10 O9 FindByFormula + 470.1229 12.4104 C14 H18 N2 O2 " [ C14 H18 N2 O2, mfg=95.53, tgt=, overall=95.53 ]" "(493.2893, 1012.695)(531.2385, 314.67252)(515.2665, 14318.279)(516.2729, 5087.365)(517.2764, 2854.8035)(518.2914, 880.995)(247.14626, 18054.53)(248.148, 3378.9392)(249.14886, 1033.5934)(285.1018, 4299.269)(286.10107, 705.2053)(287.1009, 312.8008)(269.1271, 36166.81)(270.1304, 6137.5425)(271.13193, 721.7479)" C14 H18 N2 O2 FindByFormula + 246.1376 6.81147 C14 H18 N4 O3 S " [ C14 H18 N4 O3 S, mfg=89.84, tgt=, overall=89.84 ]" "(323.1171, 6695.297)(324.1211, 1342.4767)(325.1173, 790.595)(361.07306, 1233.52)(345.09943, 5139.0654)(346.1051, 887.28503)" C14 H18 N4 O3 S FindByFormula + 322.1105 3.184 C14 H19 N O4 S " [ C14 H19 N O4 S, mfg=96.43, tgt=, overall=96.43 ]" "(298.1109, 5207.2354)(299.11316, 941.27)(300.1108, 376.13)(336.06116, 1981.4751)(320.0927, 18769.43)(321.0957, 3494.815)(322.09476, 1054.08)" C14 H19 N O4 S FindByFormula + 297.1043 9.421499 C14 H19 N3 O9 " [ C14 H19 N3 O9, mfg=98.30, tgt=, overall=98.30 ]" "(372.10544, 12778.482)(373.10843, 2157.0605)(374.11282, 456.04117)" C14 H19 N3 O9 FindByFormula - 373.1129 1.1465883 C14 H19 N7 O " [ C14 H19 N7 O, mfg=78.14, tgt=, overall=78.14 ]" "(300.15866, 2022.8433)(301.15775, 393.32666)" C14 H19 N7 O FindByFormula - 301.1654 1.808 C14 H2 O8 S2 " [ C14 H2 O8 S2, mfg=72.11, tgt=, overall=72.11 ]" "(362.9261, 4205.435)(363.9326, 346.985)(364.9237, 106.26)" C14 H2 O8 S2 FindByFormula + 361.9197 26.8905 C14 H21 N5 " [ C14 H21 N5, mfg=92.15, tgt=, overall=92.15 ]" "(557.3344, 213.1575)(541.35376, 205.97499)(260.18826, 42027.13)(261.1913, 6591.8296)(262.19342, 1044.4888)(298.14874, 196.91501)(282.17044, 7683.931)(283.17062, 1255.486)(284.1828, 195.27)" C14 H21 N5 FindByFormula + 259.1792 8.077167 C14 H21 N5 + 8.043 " [ C14 H21 N5, mfg=97.47, tgt=, overall=97.47 ]" "(260.1872, 54932.914)(261.19043, 8589.541)(262.19254, 1656.16)(298.144, 834.49)(282.16913, 9879.369)(283.17023, 1631.9451)" C14 H21 N5 + 8.043 FindByFormula + 259.1799 8.043 C14 H21 N7 O2 " [ C14 H21 N7 O2, mfg=83.98, tgt=, overall=83.98 ]" "(318.1692, 1873.085)(319.17163, 363.95502)" C14 H21 N7 O2 FindByFormula - 319.1762 1.8495 C14 H21 N9 O2 " [ C14 H21 N9 O2, mfg=80.09, tgt=, overall=80.09 ]" "(346.17532, 1947.038)(347.17874, 418.78592)" C14 H21 N9 O2 FindByFormula - 347.1845 12.288924 C14 H21 N9 O2 - 20.261375 " [ C14 H21 N9 O2, mfg=95.79, tgt=, overall=95.79 ]" "(346.17538, 5083.257)(347.17822, 1047.0557)(348.1804, 172.58075)" C14 H21 N9 O2 - 20.261375 FindByFormula - 347.1835 20.261375 C14 H22 Cl N3 O2 " [ C14 H22 Cl N3 O2, mfg=86.74, tgt=, overall=86.74 ]" "(300.14893, 20227.28)(301.15265, 3913.31)(302.14688, 6397.575)(303.14896, 1179.4325)(322.1333, 444.135)(323.1327, 114.94)(324.1278, 167.39)" C14 H22 Cl N3 O2 FindByFormula + 299.1395 7.791 C14 H22 N6 O7 " [ C14 H22 N6 O7, mfg=82.11, tgt=, overall=82.11 ]" "(385.14673, 6324.9004)(386.1499, 1197.28)" C14 H22 N6 O7 FindByFormula - 386.154 8.7675 C14 H23 N3 O2 " [ C14 H23 N3 O2, mfg=64.00, tgt=, overall=64.00 ]" "(266.18536, 1542.315)(267.1871, 406.47498)(304.1412, 86.36)" C14 H23 N3 O2 FindByFormula + 265.1787 1.146 C14 H24 O7 " [ C14 H24 O7, mfg=88.94, tgt=, overall=88.94 ]" "(609.3196, 718.78)(305.15817, 14448.505)(306.16135, 2135.802)(307.1713, 677.73334)" C14 H24 O7 FindByFormula + 304.1496 6.939417 C14 H25 Cl N4 O6 S " [ C14 H25 Cl N4 O6 S, mfg=87.44, tgt=, overall=87.44 ]" "(411.11072, 2310.495)(412.1122, 484.2175)(413.10852, 806.2175)" C14 H25 Cl N4 O6 S FindByFormula - 412.12 7.17525 C14 H26 N10 O5 " [ C14 H26 N10 O5, mfg=74.02, tgt=, overall=74.02 ]" "(413.2013, 1602.87)(414.20273, 431.56998)" C14 H26 N10 O5 FindByFormula - 414.2083 9.923667 C14 H27 N O2 S " [ C14 H27 N O2 S, mfg=82.42, tgt=, overall=82.42 ]" "(274.1848, 1623.6)(275.18677, 380.23)(276.18164, 181.565)" C14 H27 N O2 S FindByFormula + 273.1739 10.1535 C14 H27 N O4 " [ C14 H27 N O4, mfg=80.91, tgt=, overall=80.91 ]" "(274.20154, 5749.1924)(275.2032, 1082.1)(296.1841, 837.79)" C14 H27 N O4 FindByFormula + 273.1946 8.7195 C14 H27 N O5 " [ C14 H27 N O5, mfg=77.73, tgt=, overall=77.73 ]" "(579.3777, 495.11)(290.19528, 5611.53)(291.19864, 1167.5167)" C14 H27 N O5 FindByFormula + 289.1873 7.3068333 C14 H27 N O5 + 7.2883334 " [ C14 H27 N O5, mfg=74.76, tgt=, overall=74.76 ]" "(290.19467, 5038.8535)(291.19897, 997.2334)" C14 H27 N O5 + 7.2883334 FindByFormula + 289.1881 7.2883334 C14 H28 N2 O2 " [ C14 H28 N2 O2, mfg=82.98, tgt=, overall=82.98 ]" "(257.22208, 413.11667)(258.228, 129.4)(279.2043, 2337.4333)(280.20572, 399.90665)" C14 H28 N2 O2 FindByFormula + 256.2139 9.723167 C14 H28 N6 O " [ C14 H28 N6 O, mfg=78.83, tgt=, overall=78.83 ]" "(295.22617, 3034.66)(296.22906, 665.2767)" C14 H28 N6 O FindByFormula - 296.2325 15.373333 C14 H28 N6 O2 " [ C14 H28 N6 O2, mfg=81.65, tgt=, overall=81.65 ]" "(311.22058, 4992.7036)(312.22415, 1037.8033)" C14 H28 N6 O2 FindByFormula - 312.2268 14.987667 C14 H3 Cl O7 S3 " [ C14 H3 Cl O7 S3, mfg=66.45, tgt=, overall=66.45 ]" "(414.88214, 1957.925)(415.88428, 626.21)(416.8721, 806.145)" C14 H3 Cl O7 S3 FindByFormula + 413.8735 26.9875 C14 H30 N10 O3 " [ C14 H30 N10 O3, mfg=70.86, tgt=, overall=70.86 ]" "(387.2573, 2226.2532)(388.25906, 650.0367)(409.2423, 1097.48)(410.2403, 133.45)" C14 H30 N10 O3 FindByFormula + 386.2511 7.238333 C14 H30 N2 O6 S2 " [ C14 H30 N2 O6 S2, mfg=93.14, tgt=, overall=93.14 ]" "(385.14673, 6324.9004)(386.1499, 1197.28)(387.14722, 511.66498)" C14 H30 N2 O6 S2 FindByFormula - 386.1551 8.7675 C14 H30 N6 " [ C14 H30 N6, mfg=83.46, tgt=, overall=83.46 ]" "(281.24646, 3470.125)(282.24927, 719.945)" C14 H30 N6 FindByFormula - 282.2544 15.077 C14 H31 N O2 " [ C14 H31 N O2, mfg=98.33, tgt=, overall=98.33 ]" "(246.24333, 34802.996)(247.24658, 5929.7305)(248.24883, 717.59875)(268.2252, 486.2625)" C14 H31 N O2 FindByFormula + 245.2359 9.798501 C14 H32 N12 O2 " [ C14 H32 N12 O2, mfg=75.14, tgt=, overall=75.14 ]" "(401.28442, 4919.1704)(402.28424, 1257.2086)" C14 H32 N12 O2 FindByFormula + 400.2765 6.8162856 C14 H32 N2 O7 " [ C14 H32 N2 O7, mfg=83.77, tgt=, overall=83.77 ]" "(339.2134, 2006.4822)(340.21625, 370.33118)" C14 H32 N2 O7 FindByFormula - 340.2208 19.214224 C14 H32 N6 O " [ C14 H32 N6 O, mfg=81.91, tgt=, overall=81.91 ]" "(299.2572, 3582.6426)(300.26016, 753.4325)" C14 H32 N6 O FindByFormula - 300.2637 17.513 C14 H33 N11 O4 " [ C14 H33 N11 O4, mfg=96.17, tgt=, overall=96.17 ]" "(420.2796, 85411.85)(421.28238, 14237.846)(422.28412, 1960.8096)" C14 H33 N11 O4 FindByFormula + 419.2733 17.568317 C14 H35 N19 " [ C14 H35 N19, mfg=84.06, tgt=, overall=84.06 ]" "(235.67288, 2024.656)(236.17351, 485.552)(470.3328, 1142.8867)(471.3349, 438.93002)(492.31458, 335.64334)(493.31372, 155.55)" C14 H35 N19 FindByFormula + 469.3283 6.111636 C14 H35 N19 + 6.2095 " [ C14 H35 N19, mfg=82.46, tgt=, overall=82.46 ]" "(235.67259, 2715.9768)(236.1731, 639.9467)(470.3334, 1859.9452)(471.33603, 767.798)(492.31482, 992.1725)" C14 H35 N19 + 6.2095 FindByFormula + 469.3298 6.2095 C14 H39 Cl N14 O6 " [ C14 H39 Cl N14 O6, mfg=36.59, tgt=, overall=18.29 ]" "(1069.5869, 1245.255)(1070.5768, 205.31)(268.1525, 11387.966)(268.66055, 483.504)(269.15546, 1909.112)" C14 H39 Cl N14 O6 FindByFormula + 534.2913 7.0026 C14 H4 Cl2 N2 O2 S5 " [ C14 H4 Cl2 N2 O2 S5, mfg=58.41, tgt=, overall=58.41 ]" "(462.83646, 1428.0326)(463.83255, 487.4225)(464.8261, 1301.62)" C14 H4 Cl2 N2 O2 S5 FindByFormula + 461.8263 27.392668 C14 H4 N4 O2 " [ C14 H4 N4 O2, mfg=70.70, tgt=, overall=70.70 ]" "(259.02786, 3179.8135)(260.02872, 404.18335)" C14 H4 N4 O2 FindByFormula - 260.0351 9.965333 C14 H42 N16 O2 S " [ C14 H42 N16 O2 S, mfg=62.65, tgt=, overall=62.65 ]" "(499.34717, 2051.8037)(500.34616, 293.57623)(521.3304, 8740.1)(522.3284, 1275.264)" C14 H42 N16 O2 S FindByFormula + 498.3414 14.804875 C14 H5 N3 O12 " [ C14 H5 N3 O12, mfg=93.26, tgt=, overall=93.26 ]" "(814.9793, 696.94)(852.9463, 312.79333)(836.9729, 389.66)(407.99536, 4482.964)(408.99802, 771.228)(409.99994, 366.468)" C14 H5 N3 O12 FindByFormula + 406.9893 2.0198002 C14 H6 N4 O10 S4 " [ C14 H6 N4 O10 S4, mfg=77.29, tgt=, overall=77.29 ]" "(516.8895, 14679.781)(517.89185, 1251.2554)(518.8863, 1576.4147)" C14 H6 N4 O10 S4 FindByFormula - 517.9019 9.348735 C14 H9 N5 O S " [ C14 H9 N5 O S, mfg=69.04, tgt=, overall=69.04 ]" "(148.53395, 4619.45)(149.03215, 773.395)(296.05798, 2153.9248)" C14 H9 N5 O S FindByFormula + 295.053 14.724501 C15 H Cl O15 S " [ C15 H Cl O15 S, mfg=78.67, tgt=, overall=78.67 ]" "(488.8756, 505.5)(526.8351, 483.57)(527.8369, 120.84)(528.8362, 207.91)(510.8632, 3248.91)(511.86493, 517.425)(512.8617, 210.84)" C15 H Cl O15 S FindByFormula + 487.8725 1.5309999 C15 H14 N6 O " [ C15 H14 N6 O, mfg=82.53, tgt=, overall=82.53 ]" "(293.1167, 1787.7633)(294.11893, 357.33667)" C15 H14 N6 O FindByFormula - 294.1228 6.8226666 C15 H14 N6 O8 S " [ C15 H14 N6 O8 S, mfg=96.39, tgt=, overall=96.39 ]" "(437.05258, 15054.581)(438.05597, 3225.9539)(439.0539, 1299.062)(440.05496, 322.44333)" C15 H14 N6 O8 S FindByFormula - 438.0633 11.085 C15 H15 N O3 S2 " [ C15 H15 N O3 S2, mfg=89.88, tgt=, overall=89.88 ]" "(665.0801, 253.18001)(322.056, 22078.045)(323.0592, 2666.9666)(324.0551, 1760.9308)(325.06055, 362.60336)(344.03662, 301.5767)" C15 H15 N O3 S2 FindByFormula + 321.0491 1.2406666 C15 H16 N10 O8 " [ C15 H16 N10 O8, mfg=75.73, tgt=, overall=75.73 ]" "(463.10828, 799.615)(464.11102, 213.14499)" C15 H16 N10 O8 FindByFormula - 464.1173 14.752 C15 H16 N10 O8 - 13.810499 " [ C15 H16 N10 O8, mfg=79.50, tgt=, overall=79.50 ]" "(463.10776, 1519.645)(464.10992, 374.36)" C15 H16 N10 O8 - 13.810499 FindByFormula - 464.1148 13.810499 C15 H18 N6 O3 S " [ C15 H18 N6 O3 S, mfg=92.93, tgt=, overall=92.93 ]" "(361.1101, 12649.876)(362.11215, 2873.0598)(363.10953, 933.93)" C15 H18 N6 O3 S FindByFormula - 362.1169 12.366 C15 H18 N8 O " [ C15 H18 N8 O, mfg=96.60, tgt=, overall=96.60 ]" "(327.16812, 16725.492)(328.17105, 3489.1597)(329.17514, 644.9184)" C15 H18 N8 O FindByFormula + 326.1617 9.617 C15 H2 N2 O14 S2 " [ C15 H2 N2 O14 S2, mfg=76.87, tgt=, overall=76.87 ]" "(1034.7638, 486.685)(498.90155, 4915.4746)(499.90466, 407.97122)(500.90393, 248.17282)" C15 H2 N2 O14 S2 FindByFormula + 497.8933 26.480162 C15 H2 N2 O14 S2 + 26.609186 " [ C15 H2 N2 O14 S2, mfg=77.73, tgt=, overall=77.73 ]" "(1034.7709, 375.03)(498.9015, 5472.7275)(499.90488, 487.7006)(500.90375, 289.416)" C15 H2 N2 O14 S2 + 26.609186 FindByFormula + 497.8932 26.609186 C15 H20 N6 O3 " [ C15 H20 N6 O3, mfg=83.24, tgt=, overall=41.62 ]" "(333.16797, 2368.92)(334.16995, 441.085)" C15 H20 N6 O3 FindByFormula + 332.1594 12.351999 C15 H20 N8 O2 " [ C15 H20 N8 O2, mfg=72.65, tgt=, overall=72.65 ]" "(343.16434, 3177.5203)(344.16287, 451.05002)" C15 H20 N8 O2 FindByFormula - 344.1701 1.9973334 C15 H22 N2 O3 " [ C15 H22 N2 O3, mfg=71.76, tgt=, overall=71.76 ]" "(277.1573, 701.41003)(278.1621, 103.865005)" C15 H22 N2 O3 FindByFormula - 278.1652 7.8240004 C15 H23 N3 O " [ C15 H23 N3 O, mfg=98.62, tgt=, overall=98.62 ]" "(262.1915, 32647.76)(263.19415, 5863.5347)(264.1968, 1156.05)" C15 H23 N3 O FindByFormula + 261.1844 5.8175 C15 H23 N3 O + 5.8175 " [ C15 H23 N3 O, mfg=99.17, tgt=, overall=99.17 ]" "(262.1915, 32647.76)(263.19415, 5863.5347)(264.1941, 147.94)" C15 H23 N3 O + 5.8175 FindByFormula + 261.1843 5.8175 C15 H23 N5 " [ C15 H23 N5, mfg=86.47, tgt=, overall=86.47 ]" "(585.3493, 401.4)(274.20267, 6353.38)(275.20496, 1226.5989)(296.18372, 1340.73)(297.1835, 337.615)" C15 H23 N5 FindByFormula + 273.2 8.715111 C15 H23 N7 " [ C15 H23 N7, mfg=89.66, tgt=, overall=89.66 ]" "(300.19507, 3679.3203)(301.19742, 599.295)(302.2021, 201.05)" C15 H23 N7 FindByFormula - 301.2026 7.7291665 C15 H23 N7 - 7.2156663 " [ C15 H23 N7, mfg=91.15, tgt=, overall=91.15 ]" "(300.19537, 4044.678)(301.19785, 682.0534)(302.20465, 135.63)" C15 H23 N7 - 7.2156663 FindByFormula - 301.2036 7.2156663 C15 H23 N7 - 7.7235003 " [ C15 H23 N7, mfg=97.55, tgt=, overall=97.55 ]" "(601.3937, 63.43)(300.1949, 3054.7476)(301.197, 525.72253)(302.1982, 60.206665)" C15 H23 N7 - 7.7235003 FindByFormula - 301.2016 7.7235003 C15 H24 N14 " [ C15 H24 N14, mfg=78.40, tgt=, overall=78.40 ]" "(401.236, 475.65)(423.21994, 2182.145)(424.2247, 530.4)" C15 H24 N14 FindByFormula + 400.2327 7.7985 C15 H25 N7 " [ C15 H25 N7, mfg=70.87, tgt=, overall=35.43 ]" "(326.2068, 3740.2878)(327.2046, 912.264)" C15 H25 N7 FindByFormula + 303.2163 6.9315996 C15 H27 N7 O6 " [ C15 H27 N7 O6, mfg=80.12, tgt=, overall=80.12 ]" "(400.19446, 1477.805)(401.19833, 335.68164)" C15 H27 N7 O6 FindByFormula - 401.2007 8.772834 C15 H28 N2 O4 " [ C15 H28 N2 O4, mfg=78.71, tgt=, overall=78.71 ]" "(301.21112, 1782.41)(302.21362, 362.28)" C15 H28 N2 O4 FindByFormula + 300.2038 22.039501 C15 H28 N2 O5 " [ C15 H28 N2 O5, mfg=69.23, tgt=, overall=69.23 ]" "(317.20505, 3313.278)(318.21054, 696.042)" C15 H28 N2 O5 FindByFormula + 316.1958 19.2036 C15 H29 N O4 " [ C15 H29 N O4, mfg=97.49, tgt=, overall=97.49 ]" "(288.2174, 13197.7705)(289.2208, 2416.3894)(290.21863, 434.835)(310.2004, 4808.833)(311.2046, 974.901)(312.20267, 184.63666)" C15 H29 N O4 FindByFormula + 287.2101 9.346534 C15 H29 N O4 + 9.330544 " [ C15 H29 N O4, mfg=97.41, tgt=, overall=97.41 ]" "(288.21677, 7879.9395)(289.2201, 1590.0175)(290.2209, 163.11)(310.19904, 1827.71)(311.1994, 285.19498)(312.19177, 47.510002)" C15 H29 N O4 + 9.330544 FindByFormula + 287.2098 9.330544 C15 H32 N8 O S " [ C15 H32 N8 O S, mfg=86.39, tgt=, overall=86.39 ]" "(371.23273, 8396.321)(372.23553, 1656.7461)(373.23605, 698.57)" C15 H32 N8 O S FindByFormula - 372.2385 7.9550004 C15 H33 N O " [ C15 H33 N O, mfg=83.15, tgt=, overall=83.15 ]" "(244.26265, 4692.177)(245.2658, 880.67)" C15 H33 N O FindByFormula + 243.255 11.503913 C15 H33 N O + 11.310249 " [ C15 H33 N O, mfg=83.35, tgt=, overall=83.35 ]" "(244.26378, 7496.8174)(245.26613, 1493.6025)" C15 H33 N O + 11.310249 FindByFormula + 243.256 11.310249 C15 H33 N O + 11.3624735 " [ C15 H33 N O, mfg=84.17, tgt=, overall=84.17 ]" "(244.26274, 4047.3425)(245.26607, 749.32306)" C15 H33 N O + 11.3624735 FindByFormula + 243.2555 11.3624735 C15 H33 N O + 11.432749 " [ C15 H33 N O, mfg=85.01, tgt=, overall=85.01 ]" "(244.26357, 5015.637)(245.2663, 972.0087)" C15 H33 N O + 11.432749 FindByFormula + 243.2556 11.432749 C15 H33 N O + 11.626667 " [ C15 H33 N O, mfg=84.83, tgt=, overall=84.83 ]" "(244.26399, 7597.7603)(245.26648, 1406.2266)" C15 H33 N O + 11.626667 FindByFormula + 243.2563 11.626667 C15 H33 N O + 9.417999 " [ C15 H33 N O, mfg=65.48, tgt=, overall=65.48 ]" "(244.262, 2049.4849)(245.2674, 511.68)" C15 H33 N O + 9.417999 FindByFormula + 243.2555 9.417999 C15 H35 N11 O4 " [ C15 H35 N11 O4, mfg=82.25, tgt=, overall=82.25 ]" "(434.29556, 4120.182)(435.2964, 785.25244)" C15 H35 N11 O4 FindByFormula + 433.2895 18.389917 C15 H36 N10 O2 S " [ C15 H36 N10 O2 S, mfg=69.01, tgt=, overall=69.01 ]" "(421.2822, 9184.962)(422.28476, 1186.7926)" C15 H36 N10 O2 S FindByFormula + 420.2749 17.575624 C15 H36 N10 O2 S + 17.116 " [ C15 H36 N10 O2 S, mfg=63.21, tgt=, overall=63.21 ]" "(421.28278, 1439.26)(422.27496, 212.88)" C15 H36 N10 O2 S + 17.116 FindByFormula + 420.2741 17.116 C15 H36 N10 O2 S + 17.52625 " [ C15 H36 N10 O2 S, mfg=68.12, tgt=, overall=68.12 ]" "(421.28284, 11622.123)(422.28497, 1626.2225)" C15 H36 N10 O2 S + 17.52625 FindByFormula + 420.2743 17.52625 C15 H36 N10 O2 S + 17.7112 " [ C15 H36 N10 O2 S, mfg=68.78, tgt=, overall=68.78 ]" "(421.28275, 6465.461)(422.28436, 911.80994)" C15 H36 N10 O2 S + 17.7112 FindByFormula + 420.2746 17.7112 C15 H36 N4 O " [ C15 H36 N4 O, mfg=36.37, tgt=, overall=36.37 ]" "(289.29297, 4416.7734)(290.28427, 832.5633)" C15 H36 N4 O FindByFormula + 288.2845 10.956666 C15 H38 N16 S " [ C15 H38 N16 S, mfg=92.21, tgt=, overall=92.21 ]" "(475.32562, 9847.82)(476.32773, 2898.692)(477.32245, 878.704)" C15 H38 N16 S FindByFormula + 474.3192 7.9962006 C15 H4 N2 O5 S5 " [ C15 H4 N2 O5 S5, mfg=85.34, tgt=, overall=85.34 ]" "(452.88086, 3718.7463)(453.8795, 893.90625)(454.87747, 940.6862)" C15 H4 N2 O5 S5 FindByFormula + 451.8744 1.728375 C15 H4 N2 S4 " [ C15 H4 N2 S4, mfg=74.13, tgt=, overall=74.13 ]" "(340.93094, 860.36)(341.93475, 259.505)(342.9301, 180.57)" C15 H4 N2 S4 FindByFormula + 339.924 27.0055 C15 H40 N16 " [ C15 H40 N16, mfg=83.62, tgt=, overall=83.62 ]" "(445.37003, 5137.438)(446.3719, 982.65)" C15 H40 N16 FindByFormula + 444.3639 14.559801 C15 H5 N3 O12 S2 " [ C15 H5 N3 O12 S2, mfg=45.34, tgt=, overall=45.34 ]" "(483.93585, 6254.645)(484.94156, 721.745)" C15 H5 N3 O12 S2 FindByFormula + 482.9285 8.983999 C15 H6 N2 O4 " [ C15 H6 N2 O4, mfg=82.53, tgt=, overall=82.53 ]" "(279.03967, 5770.45)(280.0421, 792.1873)" C15 H6 N2 O4 FindByFormula + 278.0323 10.311832 C16 Cl3 N O15 S " [ C16 Cl3 N O15 S, mfg=47.60, tgt=, overall=47.60 ]" "(1166.6125, 9976.665)(1167.6165, 6183.8184)(1168.6168, 2038.4652)(1169.6096, 871.93994)(1188.5983, 5247.7085)(1189.5997, 2924.1848)(1190.6107, 1117.97)(583.8138, 3610.873)(584.81464, 1126.1133)(585.8182, 147.32332)(605.79474, 1783.4434)" C16 Cl3 N O15 S FindByFormula + 582.8034 6.8768334 C16 H Cl2 N O18 S " [ C16 H Cl2 N O18 S, mfg=47.62, tgt=, overall=47.62 ]" "(1194.6617, 6865.89)(1195.662, 4758.5366)(1216.6481, 3130.05)(1217.6454, 1684.8)(1218.6255, 711.81)(597.8364, 485.155)(619.8267, 1073.18)" C16 H Cl2 N O18 S FindByFormula + 596.8307 7.5410004 C16 H13 N13 O4 S3 " [ C16 H13 N13 O4 S3, mfg=86.97, tgt=, overall=86.97 ]" "(548.04535, 9134.395)(549.04675, 2243.56)(550.0377, 1103.265)" C16 H13 N13 O4 S3 FindByFormula + 547.0339 8.629499 C16 H14 O8 S2 " [ C16 H14 O8 S2, mfg=96.59, tgt=, overall=96.59 ]" "(397.00497, 11515.692)(398.00836, 1953.217)(399.0036, 1349.3057)" C16 H14 O8 S2 FindByFormula - 398.0125 8.156571 C16 H14 O8 S2 - 8.1684 " [ C16 H14 O8 S2, mfg=97.10, tgt=, overall=97.10 ]" "(397.006, 7549.8555)(398.00937, 1256.418)(399.00348, 876.167)" C16 H14 O8 S2 - 8.1684 FindByFormula - 398.0127 8.1684 C16 H18 Cl N7 O6 " [ C16 H18 Cl N7 O6, mfg=90.38, tgt=, overall=90.38 ]" "(438.0927, 1459.585)(439.09607, 307.54)(440.09082, 484.305)" C16 H18 Cl N7 O6 FindByFormula - 439.1002 10.666 C16 H18 N12 " [ C16 H18 N12, mfg=85.82, tgt=, overall=85.82 ]" "(379.18524, 5808.41)(380.1868, 1298.96)" C16 H18 N12 FindByFormula + 378.1778 12.7005005 C16 H21 N5 O9 " [ C16 H21 N5 O9, mfg=78.73, tgt=, overall=78.73 ]" "(428.14084, 9160.707)(429.14157, 1602.2355)" C16 H21 N5 O9 FindByFormula + 427.1337 11.822727 C16 H21 N5 O9 + 11.253 " [ C16 H21 N5 O9, mfg=79.39, tgt=, overall=79.39 ]" "(428.1408, 2504.3252)(429.1424, 559.46)" C16 H21 N5 O9 + 11.253 FindByFormula + 427.1342 11.253 C16 H21 N5 O9 + 12.418667 " [ C16 H21 N5 O9, mfg=80.83, tgt=, overall=80.83 ]" "(428.1404, 1806.16)(429.1438, 393.59668)" C16 H21 N5 O9 + 12.418667 FindByFormula + 427.1325 12.418667 C16 H21 N9 O3 " [ C16 H21 N9 O3, mfg=83.85, tgt=, overall=41.93 ]" "(388.18405, 57090.867)(389.187, 10159.789)" C16 H21 N9 O3 FindByFormula + 387.1762 11.805751 C16 H22 N4 O2 " [ C16 H22 N4 O2, mfg=77.61, tgt=, overall=77.61 ]" "(301.16855, 4735.5674)(302.17197, 847.7325)" C16 H22 N4 O2 FindByFormula - 302.1772 8.3295 C16 H23 N5 " [ C16 H23 N5, mfg=80.46, tgt=, overall=80.46 ]" "(286.20175, 5254.971)(287.20325, 1046.6226)(308.18417, 1597.9951)(309.1899, 1712.3)" C16 H23 N5 FindByFormula + 285.1935 8.850778 C16 H24 N14 O " [ C16 H24 N14 O, mfg=78.11, tgt=, overall=78.11 ]" "(429.2324, 4777.783)(430.23682, 1259.2767)" C16 H24 N14 O FindByFormula + 428.2244 13.927334 C16 H24 N6 O2 " [ C16 H24 N6 O2, mfg=78.59, tgt=, overall=78.59 ]" "(331.1896, 1156.7383)(332.1934, 269.57834)" C16 H24 N6 O2 FindByFormula - 332.1968 11.515166 C16 H25 N5 " [ C16 H25 N5, mfg=85.16, tgt=, overall=85.16 ]" "(288.21768, 16406.576)(289.22137, 3088.3704)" C16 H25 N5 FindByFormula + 287.2103 9.333428 C16 H25 N5 O " [ C16 H25 N5 O, mfg=79.30, tgt=, overall=79.30 ]" "(304.21274, 3640.5088)(305.21332, 649.5125)" C16 H25 N5 O FindByFormula + 303.2078 7.3017497 C16 H25 N5 O + 8.17587 " [ C16 H25 N5 O, mfg=95.06, tgt=, overall=95.06 ]" "(304.2133, 9716.756)(305.2149, 1751.2336)(306.2102, 231.25)(326.19162, 1348.4066)(327.197, 958.14)" C16 H25 N5 O + 8.17587 FindByFormula + 303.2087 8.17587 C16 H25 N5 O + 8.194385 " [ C16 H25 N5 O, mfg=98.02, tgt=, overall=98.02 ]" "(304.21356, 10503.201)(305.21573, 2022.2245)(306.21048, 184.90749)(326.19394, 2153.9534)(327.18723, 211.31)" C16 H25 N5 O + 8.194385 FindByFormula + 303.2052 8.194385 C16 H25 N7 O " [ C16 H25 N7 O, mfg=83.01, tgt=, overall=83.01 ]" "(330.2057, 2477.9226)(331.2086, 451.90503)" C16 H25 N7 O FindByFormula - 331.2129 7.739625 C16 H26 N10 " [ C16 H26 N10, mfg=80.27, tgt=, overall=80.27 ]" "(359.242, 17236.385)(360.24194, 3166.185)" C16 H26 N10 FindByFormula + 358.2327 1.17 C16 H26 N6 O2 " [ C16 H26 N6 O2, mfg=78.04, tgt=, overall=78.04 ]" "(333.2053, 4257.2847)(334.2089, 1019.08344)" C16 H26 N6 O2 FindByFormula - 334.2114 11.193 C16 H26 N6 O2 - 12.239 " [ C16 H26 N6 O2, mfg=82.52, tgt=, overall=82.52 ]" "(333.20517, 3974.9001)(334.20798, 896.89874)" C16 H26 N6 O2 - 12.239 FindByFormula - 334.2127 12.239 C16 H26 N6 O2 - 12.3255005 " [ C16 H26 N6 O2, mfg=76.34, tgt=, overall=76.34 ]" "(333.20508, 1985.9099)(334.20898, 497.2)" C16 H26 N6 O2 - 12.3255005 FindByFormula - 334.2135 12.3255005 C16 H28 N6 " [ C16 H28 N6, mfg=80.67, tgt=, overall=80.67 ]" "(303.2314, 3240.5051)(304.23434, 717.2673)" C16 H28 N6 FindByFormula - 304.2381 20.509533 C16 H28 N6 O " [ C16 H28 N6 O, mfg=93.79, tgt=, overall=93.79 ]" "(319.22583, 5440.595)(320.22894, 1218.9818)(321.2316, 306.476)" C16 H28 N6 O FindByFormula - 320.2315 15.714101 C16 H28 N6 O - 15.688333 " [ C16 H28 N6 O, mfg=82.00, tgt=, overall=82.00 ]" "(319.226, 7156.303)(320.22922, 1586.2999)" C16 H28 N6 O - 15.688333 FindByFormula - 320.2331 15.688333 C16 H28 N6 O - 16.188002 " [ C16 H28 N6 O, mfg=76.62, tgt=, overall=76.62 ]" "(319.22488, 2782.8398)(320.2286, 737.24005)" C16 H28 N6 O - 16.188002 FindByFormula - 320.2315 16.188002 C16 H28 N6 O - 16.3015 " [ C16 H28 N6 O, mfg=90.27, tgt=, overall=90.27 ]" "(319.22552, 1243.365)(320.22974, 307.815)(321.23276, 52.025)" C16 H28 N6 O - 16.3015 FindByFormula - 320.2304 16.3015 C16 H28 N6 O2 " [ C16 H28 N6 O2, mfg=92.30, tgt=, overall=92.30 ]" "(335.22086, 2828.5474)(336.22437, 674.6154)(337.225, 28.42)" C16 H28 N6 O2 FindByFormula - 336.2276 12.222272 C16 H28 N6 O2 - 12.153 " [ C16 H28 N6 O2, mfg=90.71, tgt=, overall=90.71 ]" "(335.2211, 2621.7715)(336.2247, 631.88715)(337.2257, 42.29)" C16 H28 N6 O2 - 12.153 FindByFormula - 336.2286 12.153 C16 H28 N6 O2 - 12.165778 " [ C16 H28 N6 O2, mfg=91.83, tgt=, overall=91.83 ]" "(335.2209, 2414.7864)(336.22458, 575.5567)(337.22916, 65.80667)" C16 H28 N6 O2 - 12.165778 FindByFormula - 336.2286 12.165778 C16 H28 N6 O3 " [ C16 H28 N6 O3, mfg=82.08, tgt=, overall=82.08 ]" "(351.21567, 9647.375)(352.21875, 2189.5)" C16 H28 N6 O3 FindByFormula - 352.221 11.24 C16 H29 N O4 " [ C16 H29 N O4, mfg=92.72, tgt=, overall=92.72 ]" "(637.387, 256.94)(300.2158, 6912.67)(301.21945, 1278.2067)(302.2215, 387.39)(322.1959, 990.69336)" C16 H29 N O4 FindByFormula + 299.2086 9.1726675 C16 H29 N17 " [ C16 H29 N17, mfg=65.17, tgt=, overall=65.17 ]" "(460.28793, 3900.1575)(461.28598, 1302.0399)" C16 H29 N17 FindByFormula + 459.2798 2.50125 C16 H29 N7 O3 " [ C16 H29 N7 O3, mfg=66.94, tgt=, overall=66.94 ]" "(368.23993, 4401.7866)(369.2404, 1268.4258)" C16 H29 N7 O3 FindByFormula + 367.2328 9.977 C16 H3 Cl3 O3 S2 " [ C16 H3 Cl3 O3 S2, mfg=47.55, tgt=, overall=47.55 ]" "(412.86258, 5590.329)(413.8649, 420.14618)(414.86337, 404.0458)(450.8219, 355.16998)" C16 H3 Cl3 O3 S2 FindByFormula + 411.8552 27.412846 C16 H3 N3 O4 S " [ C16 H3 N3 O4 S, mfg=74.45, tgt=, overall=74.45 ]" "(333.9911, 2652.0164)(334.9938, 509.93878)" C16 H3 N3 O4 S FindByFormula + 332.9855 1.9668751 C16 H30 N2 O3 S " [ C16 H30 N2 O3 S, mfg=95.42, tgt=, overall=95.42 ]" "(331.2053, 5817.08)(332.20853, 1357.5834)(333.20456, 375.37)" C16 H30 N2 O3 S FindByFormula + 330.1982 9.014333 C16 H31 N O2 S " [ C16 H31 N O2 S, mfg=96.30, tgt=, overall=96.30 ]" "(302.2143, 5201.7637)(303.21686, 1062.0607)(304.21182, 361.49167)" C16 H31 N O2 S FindByFormula + 301.2077 11.213001 C16 H31 N O2 S + 11.1726 " [ C16 H31 N O2 S, mfg=94.55, tgt=, overall=94.55 ]" "(302.2148, 5496.302)(303.21732, 1082.4)(304.2152, 565.15)" C16 H31 N O2 S + 11.1726 FindByFormula + 301.206 11.1726 C16 H31 N O2 S + 13.783 " [ C16 H31 N O2 S, mfg=76.37, tgt=, overall=76.37 ]" "(302.21503, 5340.895)(303.21692, 1048.3151)(304.2152, 1010.85)" C16 H31 N O2 S + 13.783 FindByFormula + 301.2079 13.783 C16 H31 N O2 S + 14.1945 " [ C16 H31 N O2 S, mfg=86.06, tgt=, overall=86.06 ]" "(302.21445, 2121.33)(303.21484, 393.34)(304.2133, 233.25)" C16 H31 N O2 S + 14.1945 FindByFormula + 301.2065 14.1945 C16 H31 N O3 " [ C16 H31 N O3, mfg=73.67, tgt=, overall=73.67 ]" "(286.23956, 15245.41)(287.24265, 3118.4648)" C16 H31 N O3 FindByFormula + 285.2312 8.541 C16 H31 N15 " [ C16 H31 N15, mfg=84.55, tgt=, overall=84.55 ]" "(434.2956, 4731.297)(435.2983, 978.18)" C16 H31 N15 FindByFormula + 433.2887 18.815428 C16 H31 N7 O2 " [ C16 H31 N7 O2, mfg=76.56, tgt=, overall=76.56 ]" "(354.26172, 2347.627)(355.26352, 631.9843)" C16 H31 N7 O2 FindByFormula + 353.2531 13.2984295 C16 H32 N22 " [ C16 H32 N22, mfg=80.22, tgt=, overall=80.22 ]" "(531.31, 1704.81)(532.312, 509.175)" C16 H32 N22 FindByFormula - 532.3178 2.2755 C16 H32 N6 O2 " [ C16 H32 N6 O2, mfg=77.77, tgt=, overall=77.77 ]" "(341.26648, 1929.3655)(342.26892, 504.0944)" C16 H32 N6 O2 FindByFormula + 340.2589 18.41522 C16 H33 N O " [ C16 H33 N O, mfg=69.72, tgt=, overall=69.72 ]" "(256.26514, 1735.0)(257.2688, 407.33)" C16 H33 N O FindByFormula + 255.2585 10.8220005 C16 H33 N3 O4 " [ C16 H33 N3 O4, mfg=99.71, tgt=, overall=99.71 ]" "(332.2544, 3758.368)(333.2575, 722.506)(334.2624, 91.7825)" C16 H33 N3 O4 FindByFormula + 331.2485 0.99399996 C16 H33 N3 O4 + 0.9905 " [ C16 H33 N3 O4, mfg=98.75, tgt=, overall=98.75 ]" "(332.25415, 2890.5225)(333.25677, 521.16504)(334.2624, 91.7825)" C16 H33 N3 O4 + 0.9905 FindByFormula + 331.2469 0.9905 C16 H34 Cl3 N11 O8 S3 " [ C16 H34 Cl3 N11 O8 S3, mfg=47.61, tgt=, overall=47.61 ]" "(710.08496, 36518.844)(711.08496, 1618.1353)(712.085, 838.829)(748.04517, 147.7)" C16 H34 Cl3 N11 O8 S3 FindByFormula + 709.0787 7.2232943 C16 H34 N10 " [ C16 H34 N10, mfg=64.22, tgt=, overall=64.22 ]" "(367.29703, 742.36)(368.29892, 263.7075)(405.25916, 9133.825)(406.26318, 2421.7688)" C16 H34 N10 FindByFormula + 366.2966 10.986001 C16 H34 N4 " [ C16 H34 N4, mfg=61.86, tgt=, overall=61.86 ]" "(283.28275, 3057.5042)(284.28653, 471.2333)" C16 H34 N4 FindByFormula + 282.2756 20.431 C16 H37 N5 O " [ C16 H37 N5 O, mfg=56.02, tgt=, overall=56.02 ]" "(316.30847, 2717.2002)(317.30627, 927.065)" C16 H37 N5 O FindByFormula + 315.3 1.1455 C16 H39 N11 O8 S " [ C16 H39 N11 O8 S, mfg=83.98, tgt=, overall=83.98 ]" "(546.2773, 747.22)(547.2773, 160.29)(548.2656, 47.32)(584.229, 472.04498)(585.2267, 244.72)(568.2584, 593.01)" C16 H39 N11 O8 S FindByFormula + 545.2647 17.114 C16 H4 O8 " [ C16 H4 O8, mfg=75.43, tgt=, overall=75.43 ]" "(324.9979, 7881.9634)(325.99872, 1048.5367)" C16 H4 O8 FindByFormula + 323.9917 9.753333 C16 H40 N14 O5 " [ C16 H40 N14 O5, mfg=80.34, tgt=, overall=80.34 ]" "(509.33603, 92098.87)(510.3369, 14132.69)(511.33884, 1815.71)" C16 H40 N14 O5 FindByFormula + 508.3283 17.435999 C16 H5 N O8 " [ C16 H5 N O8, mfg=80.53, tgt=, overall=80.53 ]" "(340.00882, 3162.5364)(341.01004, 548.58936)" C16 H5 N O8 FindByFormula + 339.0008 1.9948124 C16 H5 N3 O18 " [ C16 H5 N3 O18, mfg=68.58, tgt=, overall=68.58 ]" "(527.962, 10817.359)(528.96436, 1557.2435)" C16 H5 N3 O18 FindByFormula + 526.9545 9.076667 C16 H5 N5 O8 S3 " [ C16 H5 N5 O8 S3, mfg=49.60, tgt=, overall=49.60 ]" "(491.93936, 3126.9268)(492.93698, 594.48663)" C16 H5 N5 O8 S3 FindByFormula + 490.9338 7.285 C16 H6 N4 O12 " [ C16 H6 N4 O12, mfg=72.26, tgt=, overall=72.26 ]" "(447.00616, 1896.9922)(448.01083, 461.27225)" C16 H6 N4 O12 FindByFormula + 445.9985 4.4018884 C16 H6 N4 O12 + 4.4227996 " [ C16 H6 N4 O12, mfg=72.24, tgt=, overall=72.24 ]" "(447.0063, 1507.8519)(448.0114, 345.962)" C16 H6 N4 O12 + 4.4227996 FindByFormula + 445.9988 4.4227996 C16 H7 Cl3 N2 O18 S " [ C16 H7 Cl3 N2 O18 S, mfg=47.62, tgt=, overall=47.62 ]" "(1304.7169, 7099.5703)(1305.7206, 4933.9233)(1306.7123, 1699.6566)(1307.7002, 173.555)(652.8553, 2412.7668)" C16 H7 Cl3 N2 O18 S FindByFormula + 651.8549 7.051 C16 H7 N5 " [ C16 H7 N5, mfg=85.26, tgt=, overall=85.26 ]" "(268.06314, 5501.515)(269.0664, 930.425)" C16 H7 N5 FindByFormula - 269.071 8.275 C16 S3 " [ C16 S3, mfg=57.66, tgt=, overall=57.66 ]" "(288.9225, 2465.7524)(289.92603, 251.62498)" C16 S3 FindByFormula + 287.9146 28.982 C16 S3 + 1.5921668 " [ C16 S3, mfg=54.26, tgt=, overall=54.26 ]" "(614.7971, 373.41333)(288.9224, 2187.742)(289.92404, 216.84001)" C16 S3 + 1.5921668 FindByFormula + 287.915 1.5921668 C16 Sphinganine "C16 Sphinganine [ C16 H35 N O2, db=99.38, tgt=, overall=99.38, Lipid ID=LMSP01040001, KEGG ID=C13915, METLIN ID=41556 ]" "(274.27435, 75945.51)(275.27765, 14599.056)(276.27975, 1665.1581)(296.2552, 1495.1354)(297.25504, 352.054)" C16 Sphinganine FindByFormula + C13915 LMSP01040001 273.2665 10.875773 C16 Sphinganine + 10.875773 "C16 Sphinganine [ C16 H35 N O2, db=99.38, tgt=, overall=99.38, Lipid ID=LMSP01040001, KEGG ID=C13915, METLIN ID=41556 ]" "(274.27435, 75953.11)(275.27765, 14600.554)(276.28012, 1674.372)(296.2552, 1495.6952)(297.25507, 354.27597)" C16 Sphinganine + 10.875773 FindByFormula + C13915 LMSP01040001 273.2666 10.875773 C16 Sulfatide "C16 Sulfatide [ C40 H77 N O11 S, db=76.94, tgt=, overall=76.94, Lipid ID=LMSP06020002, METLIN ID=41623 ]" "(778.5178, 1991.6426)(779.52094, 1000.03)(780.51807, 524.49)" C16 Sulfatide FindByFormula - LMSP06020002 779.5221 26.903 C16 Sulfatide - 27.044333 "C16 Sulfatide [ C40 H77 N O11 S, db=72.04, tgt=, overall=72.04, Lipid ID=LMSP06020002, METLIN ID=41623 ]" "(778.51514, 627.47)(779.5179, 360.24667)(780.52, 277.09)" C16 Sulfatide - 27.044333 FindByFormula - LMSP06020002 779.5254 27.044333 C16-OH Sulfatide "C16-OH Sulfatide [ C40 H77 N O12 S, db=65.93, tgt=, overall=65.93, Lipid ID=LMSP06020003, METLIN ID=41624 ]" "(794.50995, 1503.688)(795.5134, 693.972)(796.51965, 512.016)(797.52606, 197.60333)" C16-OH Sulfatide FindByFormula - LMSP06020003 795.5159 27.005802 C17 H11 N3 O " [ C17 H11 N3 O, mfg=80.03, tgt=, overall=80.03 ]" "(569.1636, 1063.05)(570.17444, 499.15002)(274.0973, 5279.02)(275.1023, 1180.12)(296.0773, 5077.985)(297.08008, 896.775)" C17 H11 N3 O FindByFormula + 273.0894 1.3185 C17 H15 N O9 " [ C17 H15 N O9, mfg=78.55, tgt=, overall=78.55 ]" "(376.0668, 2842.1401)(377.07025, 398.375)" C17 H15 N O9 FindByFormula - 377.0742 1.3165 C17 H18 N2 O3 " [ C17 H18 N2 O3, mfg=85.36, tgt=, overall=85.36 ]" "(299.13913, 4356.1895)(300.14172, 882.55817)" C17 H18 N2 O3 FindByFormula + 298.1325 24.230635 C17 H18 N2 O3 + 24.1885 " [ C17 H18 N2 O3, mfg=94.10, tgt=, overall=94.10 ]" "(299.1387, 4390.6753)(300.1418, 865.71014)(301.1396, 215.43001)" C17 H18 N2 O3 + 24.1885 FindByFormula + 298.1309 24.1885 C17 H18 N2 O3 + 9.18 " [ C17 H18 N2 O3, mfg=79.30, tgt=, overall=79.30 ]" "(299.1402, 2268.525)(300.14142, 453.84998)" C17 H18 N2 O3 + 9.18 FindByFormula + 298.1321 9.18 C17 H18 N2 O3 + 9.18 :1 " [ C17 H18 N2 O3, mfg=79.94, tgt=, overall=79.94 ]" "(299.14014, 2360.47)(300.14142, 453.84998)" C17 H18 N2 O3 + 9.18 :1 FindByFormula + 298.132 9.18 C17 H18 N2 O4 " [ C17 H18 N2 O4, mfg=66.53, tgt=, overall=33.27 ]" "(315.1329, 2854.094)(316.14038, 771.342)(337.1159, 597.12335)" C17 H18 N2 O4 FindByFormula + 314.1267 9.5504 C17 H18 N2 O4 - 10.1114 " [ C17 H18 N2 O4, mfg=78.17, tgt=, overall=78.17 ]" "(313.1181, 1358.028)(314.121, 299.28802)" C17 H18 N2 O4 - 10.1114 FindByFormula - 314.1247 10.1114 C17 H18 N8 O6 " [ C17 H18 N8 O6, mfg=99.25, tgt=, overall=49.63 ]" "(883.25525, 389.45)(431.14218, 1540.0782)(432.14877, 539.34)(469.09814, 12286.621)(470.10666, 3681.0557)(471.1013, 1472.9122)(472.10098, 366.68)(453.12415, 14943.657)(454.1265, 3072.8037)(455.12784, 639.255)(456.1348, 292.12)" C17 H18 N8 O6 FindByFormula + 430.1333 1.2012727 C17 H2 O10 " [ C17 H2 O10, mfg=69.70, tgt=, overall=69.70 ]" "(366.97183, 2387.9675)(367.9683, 407.46753)" C17 H2 O10 FindByFormula + 365.9645 0.97999996 C17 H20 N14 O S " [ C17 H20 N14 O S, mfg=94.12, tgt=, overall=94.12 ]" "(469.17438, 5746.5903)(470.17484, 1543.81)(471.17493, 303.09)" C17 H20 N14 O S FindByFormula + 468.1689 17.5045 C17 H22 N10 " [ C17 H22 N10, mfg=83.45, tgt=, overall=41.72 ]" "(367.20956, 2644.9265)(368.2135, 576.755)" C17 H22 N10 FindByFormula + 366.2065 9.177167 C17 H22 N10 O10 " [ C17 H22 N10 O10, mfg=98.12, tgt=, overall=49.06 ]" "(527.1593, 3289.486)(528.1629, 754.53375)(529.1646, 190.79)" C17 H22 N10 O10 FindByFormula + 526.1509 0.83150005 C17 H22 N2 O9 " [ C17 H22 N2 O9, mfg=99.00, tgt=, overall=99.00 ]" "(399.13953, 20810.172)(400.14325, 4405.1777)(401.14465, 823.7978)" C17 H22 N2 O9 FindByFormula + 398.1315 10.099793 C17 H22 N6 O7 " [ C17 H22 N6 O7, mfg=98.24, tgt=, overall=98.24 ]" "(421.14694, 7761.566)(422.15, 1673.7742)(423.15097, 313.65073)" C17 H22 N6 O7 FindByFormula - 422.1502 10.100858 C17 H23 N11 O5 " [ C17 H23 N11 O5, mfg=80.72, tgt=, overall=80.72 ]" "(462.19482, 2438.301)(463.19614, 582.024)" C17 H23 N11 O5 FindByFormula + 461.1862 6.307 C17 H24 N16 O7 " [ C17 H24 N16 O7, mfg=75.62, tgt=, overall=75.62 ]" "(565.2073, 1178.8099)(566.208, 317.91498)" C17 H24 N16 O7 FindByFormula + 564.1979 13.882999 C17 H24 N2 O3 " [ C17 H24 N2 O3, mfg=96.38, tgt=, overall=96.38 ]" "(305.18567, 6753.826)(306.18805, 1280.015)(307.1832, 136.315)" C17 H24 N2 O3 FindByFormula + 304.1784 7.579625 C17 H24 N2 O3 + 8.654 " [ C17 H24 N2 O3, mfg=98.24, tgt=, overall=98.24 ]" "(305.18594, 11015.23)(306.18948, 2178.0833)(307.18756, 377.22665)(327.16754, 875.78)(328.1734, 545.3)" C17 H24 N2 O3 + 8.654 FindByFormula + 304.1794 8.654 C17 H24 N2 O3 + 9.59 " [ C17 H24 N2 O3, mfg=93.34, tgt=, overall=93.34 ]" "(305.18542, 10064.045)(306.18454, 1580.415)(307.18408, 446.325)(343.14233, 2097.9)(327.1681, 39614.07)(328.17065, 8396.855)(329.1782, 2204.94)" C17 H24 N2 O3 + 9.59 FindByFormula + 304.1779 9.59 C17 H24 N2 O3 + 9.638 " [ C17 H24 N2 O3, mfg=84.70, tgt=, overall=84.70 ]" "(305.18607, 5289.9604)(306.18863, 1204.2867)(307.1913, 236.42)(327.16855, 22291.61)(328.1715, 4476.7534)" C17 H24 N2 O3 + 9.638 FindByFormula + 304.1808 9.638 C17 H24 N2 O3 + 9.64375 " [ C17 H24 N2 O3, mfg=80.75, tgt=, overall=80.75 ]" "(305.18567, 4190.0625)(306.18777, 1042.635)(307.1918, 114.18)(343.1421, 1126.85)(327.1682, 18236.994)(328.171, 4404.6934)" C17 H24 N2 O3 + 9.64375 FindByFormula + 304.1787 9.64375 C17 H24 N2 O4 " [ C17 H24 N2 O4, mfg=82.25, tgt=, overall=82.25 ]" "(319.16708, 6420.507)(320.16873, 1186.178)" C17 H24 N2 O4 FindByFormula - 320.1711 9.1614 C17 H24 N8 O2 " [ C17 H24 N8 O2, mfg=74.93, tgt=, overall=37.47 ]" "(373.21005, 2905.3164)(374.2121, 850.7889)" C17 H24 N8 O2 FindByFormula + 372.205 20.139223 C17 H24 N8 O2 - 6.7667494 " [ C17 H24 N8 O2, mfg=80.22, tgt=, overall=80.22 ]" "(371.1962, 1300.8201)(372.19943, 270.37)" C17 H24 N8 O2 - 6.7667494 FindByFormula - 372.2041 6.7667494 C17 H24 N8 O2 - 7.2072 " [ C17 H24 N8 O2, mfg=79.30, tgt=, overall=79.30 ]" "(371.1962, 1450.6)(372.19745, 352.31403)" C17 H24 N8 O2 - 7.2072 FindByFormula - 372.2016 7.2072 C17 H25 N11 O2 " [ C17 H25 N11 O2, mfg=79.90, tgt=, overall=79.90 ]" "(416.22632, 2666.04)(417.2283, 739.3733)" C17 H25 N11 O2 FindByFormula + 415.2194 0.75566673 C17 H25 N17 " [ C17 H25 N17, mfg=68.31, tgt=, overall=68.31 ]" "(468.2557, 2087.82)(469.25684, 771.885)" C17 H25 N17 FindByFormula + 467.2495 7.7855 C17 H25 N7 " [ C17 H25 N7, mfg=86.01, tgt=, overall=86.01 ]" "(326.2103, 2447.084)(327.2127, 500.92596)" C17 H25 N7 FindByFormula - 327.2175 7.3168 C17 H25 N7 - 7.2934 " [ C17 H25 N7, mfg=84.72, tgt=, overall=84.72 ]" "(326.21027, 2451.754)(327.21274, 449.28204)" C17 H25 N7 - 7.2934 FindByFormula - 327.2173 7.2934 C17 H25 N9 O3 " [ C17 H25 N9 O3, mfg=75.84, tgt=, overall=75.84 ]" "(402.20227, 2335.2468)(403.20084, 516.075)" C17 H25 N9 O3 FindByFormula - 403.2072 1.8473334 C17 H26 N4 O S " [ C17 H26 N4 O S, mfg=82.06, tgt=, overall=82.06 ]" "(335.19055, 4581.3267)(336.19397, 1397.1066)(337.1918, 226.69)" C17 H26 N4 O S FindByFormula + 334.1818 15.380333 C17 H26 N8 O " [ C17 H26 N8 O, mfg=72.22, tgt=, overall=72.22 ]" "(715.4396, 1919.05)(716.4416, 705.23)(357.21674, 3388.62)(358.2185, 1357.22)" C17 H26 N8 O FindByFormula - 358.2242 6.9014997 C17 H26 N8 O - 7.5693336 " [ C17 H26 N8 O, mfg=68.10, tgt=, overall=68.10 ]" "(357.21753, 1128.4133)(358.21558, 310.74667)" C17 H26 N8 O - 7.5693336 FindByFormula - 358.2241 7.5693336 C17 H26 N8 O - 7.5924997 " [ C17 H26 N8 O, mfg=67.98, tgt=, overall=67.98 ]" "(357.2182, 1531.12)(358.21414, 403.385)" C17 H26 N8 O - 7.5924997 FindByFormula - 358.2253 7.5924997 C17 H26 O20 " [ C17 H26 O20, mfg=90.61, tgt=, overall=90.61 ]" "(549.0926, 8529.778)(550.09576, 1908.8043)(551.09973, 390.8175)" C17 H26 O20 FindByFormula - 550.104 1.4442858 C17 H28 N10 O4 " [ C17 H28 N10 O4, mfg=98.37, tgt=, overall=98.37 ]" "(873.4553, 104.69)(437.23642, 46285.094)(438.23965, 9931.655)(439.23975, 1959.5859)" C17 H28 N10 O4 FindByFormula + 436.2292 7.5670996 C17 H29 N15 O " [ C17 H29 N15 O, mfg=89.83, tgt=, overall=89.83 ]" "(460.276, 16564.805)(461.27243, 4184.1)(462.27878, 753.3667)(482.26047, 10369.423)(483.25824, 2602.1924)(484.26056, 657.61)" C17 H29 N15 O FindByFormula + 459.2696 6.9692497 C17 H3 N3 O14 S2 " [ C17 H3 N3 O14 S2, mfg=55.45, tgt=, overall=55.45 ]" "(537.91095, 939.9566)(538.9129, 155.33167)" C17 H3 N3 O14 S2 FindByFormula + 536.9048 26.403166 C17 H30 N2 O6 " [ C17 H30 N2 O6, mfg=95.92, tgt=, overall=95.92 ]" "(359.21753, 3917.995)(360.22183, 895.4487)(361.22504, 163.36499)" C17 H30 N2 O6 FindByFormula + 358.2103 12.09775 C17 H30 N2 O6 + 12.041 " [ C17 H30 N2 O6, mfg=94.27, tgt=, overall=94.27 ]" "(359.21725, 8643.551)(360.2216, 2054.2966)(361.2244, 432.97)" C17 H30 N2 O6 + 12.041 FindByFormula + 358.2075 12.041 C17 H30 N20 O3 " [ C17 H30 N20 O3, mfg=81.14, tgt=, overall=81.14 ]" "(563.287, 1875.3699)(564.2897, 475.34)" C17 H30 N20 O3 FindByFormula + 562.2794 26.1285 C17 H30 N4 O5 " [ C17 H30 N4 O5, mfg=74.45, tgt=, overall=74.45 ]" "(371.22824, 1426.7833)(372.23325, 372.06998)" C17 H30 N4 O5 FindByFormula + 370.2215 6.5786667 C17 H31 N O4 " [ C17 H31 N O4, mfg=80.74, tgt=, overall=80.74 ]" "(314.23285, 2559.774)(315.23447, 558.596)" C17 H31 N O4 FindByFormula + 313.2215 9.7832 C17 H31 N O4 + 9.768333 " [ C17 H31 N O4, mfg=82.55, tgt=, overall=82.55 ]" "(314.23282, 2724.37)(315.2359, 618.3233)" C17 H31 N O4 + 9.768333 FindByFormula + 313.2273 9.768333 C17 H31 N O4 + 9.768333 :1 " [ C17 H31 N O4, mfg=82.55, tgt=, overall=82.55 ]" "(314.23282, 2724.37)(315.2359, 618.3233)" C17 H31 N O4 + 9.768333 :1 FindByFormula + 313.2254 9.768333 C17 H31 N O4 + 9.964001 " [ C17 H31 N O4, mfg=77.91, tgt=, overall=77.91 ]" "(314.23276, 5214.6426)(315.2337, 1159.7051)" C17 H31 N O4 + 9.964001 FindByFormula + 313.2219 9.964001 C17 H31 N O4 + 9.966 " [ C17 H31 N O4, mfg=81.60, tgt=, overall=81.60 ]" "(314.2326, 6166.105)(315.2346, 1350.94)" C17 H31 N O4 + 9.966 FindByFormula + 313.2269 9.966 C17 H31 N5 O4 S2 " [ C17 H31 N5 O4 S2, mfg=84.88, tgt=, overall=42.44 ]" "(434.1897, 7609.862)(435.18912, 2200.842)(436.18576, 1249.955)(437.18597, 243.445)(473.1314, 636.61)(456.17288, 2980.1487)(457.16916, 980.0614)(458.16748, 421.18597)" C17 H31 N5 O4 S2 FindByFormula + 433.1824 1.3116 C17 H32 N8 O " [ C17 H32 N8 O, mfg=95.34, tgt=, overall=95.34 ]" "(365.2775, 7023.9336)(366.27963, 1736.6716)(367.28442, 390.12)" C17 H32 N8 O FindByFormula + 364.2718 11.010715 C17 H33 N O4 " [ C17 H33 N O4, mfg=97.20, tgt=, overall=97.20 ]" "(316.2484, 20094.812)(317.25018, 3925.4124)(318.25473, 598.81)(354.206, 337.96)(338.23175, 2718.1467)(339.23215, 641.0733)" C17 H33 N O4 FindByFormula + 315.2411 10.354222 C17 H33 N O5 " [ C17 H33 N O5, mfg=92.22, tgt=, overall=92.22 ]" "(332.2437, 8644.054)(333.2448, 1859.0944)(334.24597, 401.0089)(354.22693, 1502.3276)(355.22705, 584.9133)" C17 H33 N O5 FindByFormula + 331.2369 9.317701 C17 H33 N O5 + 9.334444 " [ C17 H33 N O5, mfg=94.43, tgt=, overall=94.43 ]" "(332.2435, 10080.051)(333.2451, 2130.65)(334.24384, 327.06)(354.22787, 2058.0032)(355.22668, 345.88)" C17 H33 N O5 + 9.334444 FindByFormula + 331.2373 9.334444 C17 H34 N14 O5 " [ C17 H34 N14 O5, mfg=76.89, tgt=, overall=76.89 ]" "(513.2755, 3354.46)(514.27856, 977.7)" C17 H34 N14 O5 FindByFormula - 514.2832 8.9655 C17 H34 N2 O7 " [ C17 H34 N2 O7, mfg=78.01, tgt=, overall=78.01 ]" "(379.24304, 1087.38)(380.24753, 258.08)" C17 H34 N2 O7 FindByFormula + 378.2366 10.071667 C17 H36 N6 O " [ C17 H36 N6 O, mfg=66.51, tgt=, overall=66.51 ]" "(341.302, 1737.98)(342.30258, 526.14667)" C17 H36 N6 O FindByFormula + 340.2943 16.791334 C17 H37 N O " [ C17 H37 N O, mfg=69.54, tgt=, overall=69.54 ]" "(272.29385, 1116.785)(273.2973, 320.27)" C17 H37 N O FindByFormula + 271.2895 12.9795 C17 H37 N O + 9.868 " [ C17 H37 N O, mfg=84.40, tgt=, overall=84.40 ]" "(272.29443, 39465.562)(273.2979, 8607.925)" C17 H37 N O + 9.868 FindByFormula + 271.2872 9.868 C17 H37 N15 O S2 " [ C17 H37 N15 O S2, mfg=87.50, tgt=, overall=87.50 ]" "(266.6423, 1648.26)(267.1428, 824.115)(532.2814, 3015.665)(533.28815, 691.25)(534.2794, 431.425)" C17 H37 N15 O S2 FindByFormula + 531.2745 13.405 C17 H37 N21 O " [ C17 H37 N21 O, mfg=70.56, tgt=, overall=70.56 ]" "(552.35785, 1390.2799)(553.3558, 454.885)" C17 H37 N21 O FindByFormula + 551.3522 15.35425 C17 H38 N10 O9 " [ C17 H38 N10 O9, mfg=75.39, tgt=, overall=75.39 ]" "(527.2906, 3712.0715)(528.2889, 804.4134)" C17 H38 N10 O9 FindByFormula + 526.2852 16.806168 C17 H38 N8 O4 S " [ C17 H38 N8 O4 S, mfg=83.04, tgt=, overall=83.04 ]" "(449.2642, 4701.587)(450.26718, 1232.1033)(451.27505, 491.87)" C17 H38 N8 O4 S FindByFormula - 450.2718 22.237665 C17 H39 N9 O6 S " [ C17 H39 N9 O6 S, mfg=97.19, tgt=, overall=48.60 ]" "(498.283, 4673.3853)(499.28854, 1119.215)(520.2641, 5913.277)(521.2666, 1406.3433)(522.26605, 411.11)" C17 H39 N9 O6 S FindByFormula + 497.2707 15.98075 C17 H40 Cl2 N12 O S2 " [ C17 H40 Cl2 N12 O S2, mfg=88.84, tgt=, overall=88.84 ]" "(563.23395, 3063.9248)(564.2366, 1002.66504)(565.2324, 3003.665)(566.2323, 819.635)(567.23236, 907.23)" C17 H40 Cl2 N12 O S2 FindByFormula + 562.2295 26.05 C17 H45 N15 O7 " [ C17 H45 N15 O7, mfg=84.40, tgt=, overall=84.40 ]" "(572.3676, 8793.002)(573.3743, 2448.5051)(574.38104, 374.275)" C17 H45 N15 O7 FindByFormula + 571.3607 17.783167 C17 H6 N4 O5 " [ C17 H6 N4 O5, mfg=79.30, tgt=, overall=79.30 ]" "(347.04077, 1853.9219)(348.04224, 295.736)(369.02393, 1520.7225)(370.0231, 388.32666)" C17 H6 N4 O5 FindByFormula + 346.0331 10.5324 C17 H9 N5 O4 " [ C17 H9 N5 O4, mfg=76.35, tgt=, overall=76.35 ]" "(346.05832, 2571.7544)(347.05786, 441.69144)" C17 H9 N5 O4 FindByFormula - 347.0658 1.0374286 C17 O10 S5 " [ C17 O10 S5, mfg=72.77, tgt=, overall=72.77 ]" "(524.8172, 1855.11)(525.8112, 342.938)(526.8104, 363.93597)(546.8008, 1655.8501)(547.79736, 329.565)" C17 O10 S5 FindByFormula + 523.8095 27.504602 C17 Sphinganine "C17 Sphinganine [ C17 H37 N O2, db=99.65, tgt=, overall=99.65, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.28992, 70852.6)(289.29303, 14062.156)(290.2952, 1900.9812)(310.27148, 1005.04877)(311.27127, 117.78)" C17 Sphinganine FindByFormula + LMSP01040003 287.283 11.418814 C17 Sphinganine + 11.031 "C17 Sphinganine [ C17 H37 N O2, db=97.40, tgt=, overall=97.40, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.29044, 15467.519)(289.29318, 3002.54)(290.29123, 374.04666)" C17 Sphinganine + 11.031 FindByFormula + LMSP01040003 287.2834 11.031 C17 Sphinganine + 11.031751 "C17 Sphinganine [ C17 H37 N O2, db=97.08, tgt=, overall=97.08, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.29053, 11737.788)(289.2932, 2389.565)(290.2925, 199.47667)(310.2718, 298.63)" C17 Sphinganine + 11.031751 FindByFormula + LMSP01040003 287.2832 11.031751 C17 Sphinganine + 11.093999 "C17 Sphinganine [ C17 H37 N O2, mfg=95.40, db=95.40, tgt=, overall=95.40, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.28955, 22219.416)(289.29254, 4531.4473)(290.29114, 977.296)" C17 Sphinganine + 11.093999 FindByFormula + LMSP01040003 287.2806 11.093999 C17 Sphinganine + 11.108652 "C17 Sphinganine [ C17 H37 N O2, db=97.50, tgt=, overall=97.50, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.2901, 21817.66)(289.29346, 4314.963)(290.2914, 751.50476)(310.2708, 137.42)" C17 Sphinganine + 11.108652 FindByFormula + LMSP01040003 287.2841 11.108652 C17 Sphinganine + 11.136126 "C17 Sphinganine [ C17 H37 N O2, db=95.37, tgt=, overall=95.37, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.289, 29433.926)(289.29263, 5935.16)(290.29095, 1084.8961)(291.2963, 155.74)(310.2691, 462.83334)(311.261, 29.4)" C17 Sphinganine + 11.136126 FindByFormula + LMSP01040003 287.2768 11.136126 C17 Sphinganine + 11.389356 "C17 Sphinganine [ C17 H37 N O2, db=99.60, tgt=, overall=99.60, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.2896, 65220.895)(289.29263, 12919.197)(290.29434, 1654.3553)(291.3005, 174.12)(310.2707, 879.1247)(311.271, 288.30334)" C17 Sphinganine + 11.389356 FindByFormula + LMSP01040003 287.2824 11.389356 C17 Sphinganine + 11.40947 "C17 Sphinganine [ C17 H37 N O2, db=99.68, tgt=, overall=99.68, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.2898, 65830.85)(289.29282, 13067.17)(290.29495, 1785.5852)(291.3005, 174.12)(310.27097, 927.5662)(311.26953, 188.59625)" C17 Sphinganine + 11.40947 FindByFormula + LMSP01040003 287.282 11.40947 C17 Sphinganine + 11.420532 "C17 Sphinganine [ C17 H37 N O2, db=97.72, tgt=, overall=97.72, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.289, 73260.16)(289.29205, 14529.055)(290.29446, 1686.1357)(310.269, 966.88336)(311.26984, 202.78876)" C17 Sphinganine + 11.420532 FindByFormula + LMSP01040003 287.2818 11.420532 C17 Sphinganine + 11.5371 "C17 Sphinganine [ C17 H37 N O2, db=99.70, tgt=, overall=99.70, Lipid ID=LMSP01040003, METLIN ID=41558 ]" "(288.2896, 63678.78)(289.29297, 12707.989)(290.2951, 1785.0763)(310.2704, 1326.875)(311.27106, 235.525)" C17 Sphinganine + 11.5371 FindByFormula + LMSP01040003 287.283 11.5371 C18 H10 N10 O8 S2 " [ C18 H10 N10 O8 S2, mfg=91.53, tgt=, overall=91.53 ]" "(559.02075, 6246.1396)(560.021, 1506.2251)(561.022, 704.40497)" C18 H10 N10 O8 S2 FindByFormula + 558.0158 9.75 C18 H14 N6 " [ C18 H14 N6, mfg=81.78, tgt=, overall=81.78 ]" "(315.1346, 2799.7153)(316.13657, 677.4464)(337.11554, 589.904)" C18 H14 N6 FindByFormula + 314.1276 10.157214 C18 H14 N6 + 10.22525 " [ C18 H14 N6, mfg=82.21, tgt=, overall=82.21 ]" "(315.1349, 3349.215)(316.13867, 841.23505)(337.11484, 600.43)" C18 H14 N6 + 10.22525 FindByFormula + 314.1276 10.22525 C18 H14 N6 + 9.47275 " [ C18 H14 N6, mfg=73.60, tgt=, overall=73.60 ]" "(315.13434, 2742.5977)(316.13953, 757.2875)(337.1176, 748.65)" C18 H14 N6 + 9.47275 FindByFormula + 314.1279 9.47275 C18 H15 Cl3 N12 O " [ C18 H15 Cl3 N12 O, mfg=92.49, tgt=, overall=92.49 ]" "(519.0477, 2132.5034)(520.0514, 543.3333)(521.0456, 2244.7302)(522.0483, 609.5)(523.0437, 855.35333)" C18 H15 Cl3 N12 O FindByFormula - 520.0555 10.519668 C18 H15 N15 S2 " [ C18 H15 N15 S2, mfg=80.85, tgt=, overall=80.85 ]" "(1033.1871, 155.14)(1034.1847, 236.77)(506.11752, 1754.4434)(507.1161, 489.39334)(508.1034, 213.13)" C18 H15 N15 S2 FindByFormula + 505.1083 1.2839999 C18 H17 N5 O7 " [ C18 H17 N5 O7, mfg=57.10, tgt=, overall=57.10 ]" "(416.1174, 1894.405)(438.09924, 1624.79)(439.1053, 496.735)" C18 H17 N5 O7 FindByFormula + 415.1101 4.0629997 C18 H18 N12 O4 " [ C18 H18 N12 O4, mfg=75.45, tgt=, overall=75.45 ]" "(467.164, 4300.365)(468.1695, 1178.375)" C18 H18 N12 O4 FindByFormula + 466.1569 18.223999 C18 H2 N2 O16 S2 " [ C18 H2 N2 O16 S2, mfg=64.24, tgt=, overall=64.24 ]" "(566.8898, 1622.8)(567.8894, 132.31)(568.8915, 151.795)" C18 H2 N2 O16 S2 FindByFormula + 565.882 26.827 C18 H2 O12 S " [ C18 H2 O12 S, mfg=67.31, tgt=, overall=67.31 ]" "(442.934, 16606.979)(443.93622, 2194.866)" C18 H2 O12 S FindByFormula + 441.9253 7.3852005 C18 H2 O5 S5 " [ C18 H2 O5 S5, mfg=75.35, tgt=, overall=75.35 ]" "(458.8567, 2923.0422)(459.85678, 784.144)(460.85092, 783.0221)" C18 H2 O5 S5 FindByFormula + 457.8504 27.008001 C18 H20 N14 O3 " [ C18 H20 N14 O3, mfg=75.83, tgt=, overall=75.83 ]" "(481.19193, 9243.103)(482.19287, 1626.11)" C18 H20 N14 O3 FindByFormula + 480.1813 1.511 C18 H21 N13 " [ C18 H21 N13, mfg=75.23, tgt=, overall=75.23 ]" "(418.19763, 4143.805)(419.19986, 685.39)" C18 H21 N13 FindByFormula - 419.2039 1.763 C18 H25 N15 " [ C18 H25 N15, mfg=63.24, tgt=, overall=63.24 ]" "(452.25018, 2986.9102)(453.2447, 1016.375)" C18 H25 N15 FindByFormula + 451.2404 7.218 C18 H26 N6 O3 " [ C18 H26 N6 O3, mfg=99.06, tgt=, overall=49.53 ]" "(375.21417, 25131.043)(376.2169, 5802.212)(377.21695, 488.45197)(397.19666, 2391.4456)(398.2001, 709.6435)(399.1885, 24.85)" C18 H26 N6 O3 FindByFormula + 374.2066 10.53475 C18 H27 N9 O3 " [ C18 H27 N9 O3, mfg=78.82, tgt=, overall=78.82 ]" "(416.21524, 2267.956)(417.21753, 595.068)" C18 H27 N9 O3 FindByFormula - 417.2187 6.2988 C18 H28 N6 " [ C18 H28 N6, mfg=83.92, tgt=, overall=83.92 ]" "(327.23013, 2067.2075)(328.23352, 508.8)" C18 H28 N6 FindByFormula - 328.237 20.1325 C18 H28 N6 O3 " [ C18 H28 N6 O3, mfg=98.59, tgt=, overall=49.30 ]" "(753.4566, 576.55)(377.22946, 17012.902)(378.23215, 3992.6074)(379.2383, 634.5482)(399.21265, 3162.4697)(400.2147, 2168.85)" C18 H28 N6 O3 FindByFormula + 376.2223 10.867294 C18 H28 N8 O2 " [ C18 H28 N8 O2, mfg=80.42, tgt=, overall=80.42 ]" "(387.22763, 3285.6052)(388.22998, 685.36993)" C18 H28 N8 O2 FindByFormula - 388.235 7.1621666 C18 H28 N8 O2 - 7.899334 " [ C18 H28 N8 O2, mfg=76.24, tgt=, overall=76.24 ]" "(387.22815, 1315.4833)(388.22964, 269.12668)" C18 H28 N8 O2 - 7.899334 FindByFormula - 388.2345 7.899334 C18 H29 N O3 S " [ C18 H29 N O3 S, mfg=74.18, tgt=, overall=74.18 ]" "(340.19574, 3612.7898)(341.1957, 1078.54)(342.19077, 315.90665)" C18 H29 N O3 S FindByFormula + 339.1881 10.06 C18 H29 N17 O5 " [ C18 H29 N17 O5, mfg=95.35, tgt=, overall=95.35 ]" "(564.259, 555.24426)(565.26575, 159.42201)(586.2424, 3657.2385)(587.24445, 975.07855)(588.2428, 259.73)" C18 H29 N17 O5 FindByFormula + 563.2511 15.133001 C18 H29 N5 " [ C18 H29 N5, mfg=93.23, tgt=, overall=93.23 ]" "(316.24936, 21994.18)(317.2503, 4260.9365)(318.25406, 734.68304)(338.2334, 2730.1677)(339.2355, 666.4392)" C18 H29 N5 FindByFormula + 315.2426 10.386 C18 H30 N16 O2 " [ C18 H30 N16 O2, mfg=73.20, tgt=, overall=73.20 ]" "(501.26797, 2406.66)(502.267, 734.69995)" C18 H30 N16 O2 FindByFormula - 502.2758 7.94575 C18 H30 N2 O8 " [ C18 H30 N2 O8, mfg=74.59, tgt=, overall=74.59 ]" "(401.19278, 1780.6238)(402.19528, 492.55377)" C18 H30 N2 O8 FindByFormula - 402.2004 11.847625 C18 H31 Cl N2 O6 S " [ C18 H31 Cl N2 O6 S, mfg=83.17, tgt=, overall=83.17 ]" "(439.16675, 32840.934)(440.17004, 9335.377)(441.1625, 12437.22)(442.1669, 4820.2)(443.1686, 692.73)(477.12366, 1671.0)(461.1477, 15031.156)(462.15186, 4299.3)(463.1451, 5491.654)(464.1507, 2001.325)" C18 H31 Cl N2 O6 S FindByFormula + 438.1567 9.798 C18 H31 N15 O2 " [ C18 H31 N15 O2, mfg=81.99, tgt=, overall=81.99 ]" "(488.27216, 1434.3275)(489.27417, 382.37128)" C18 H31 N15 O2 FindByFormula - 489.2804 7.4138746 C18 H31 N17 O S2 " [ C18 H31 N17 O S2, mfg=92.37, tgt=, overall=92.37 ]" "(566.2415, 3020.4475)(567.2443, 812.63245)(568.23804, 242.9675)" C18 H31 N17 O S2 FindByFormula + 565.2379 14.5385 C18 H31 N21 O2 " [ C18 H31 N21 O2, mfg=80.98, tgt=, overall=80.98 ]" "(572.2904, 4911.995)(573.2927, 1178.375)" C18 H31 N21 O2 FindByFormula - 573.2952 16.783 C18 H32 N2 O7 " [ C18 H32 N2 O7, mfg=79.17, tgt=, overall=79.17 ]" "(387.21286, 1645.885)(388.21686, 400.82)" C18 H32 N2 O7 FindByFormula - 388.2208 15.696 C18 H32 N6 O3 " [ C18 H32 N6 O3, mfg=77.65, tgt=, overall=77.65 ]" "(379.24707, 1465.7375)(380.25006, 401.82748)" C18 H32 N6 O3 FindByFormula - 380.2546 10.867749 C18 H32 N6 O3 - 10.849 " [ C18 H32 N6 O3, mfg=79.75, tgt=, overall=79.75 ]" "(379.24658, 1019.925)(380.25037, 266.705)" C18 H32 N6 O3 - 10.849 FindByFormula - 380.254 10.849 C18 H33 N15 O2 S " [ C18 H33 N15 O2 S, mfg=86.24, tgt=, overall=86.24 ]" "(524.27185, 8378.896)(525.2794, 2141.684)(526.27527, 774.12)" C18 H33 N15 O2 S FindByFormula + 523.2634 15.123528 C18 H33 N7 O9 " [ C18 H33 N7 O9, mfg=94.09, tgt=, overall=94.09 ]" "(246.62538, 4135.894)(247.1262, 1039.733)(247.6229, 250.075)(492.24164, 7213.935)(493.24472, 1849.0701)(494.23676, 233.0143)(514.22565, 525.0733)(515.22174, 78.995)(516.2288, 125.0)" C18 H33 N7 O9 FindByFormula + 491.2359 14.530356 C18 H34 Cl N9 O " [ C18 H34 Cl N9 O, mfg=54.18, tgt=, overall=54.18 ]" "(428.2652, 3872.26)(429.25977, 1478.4199)(430.27008, 2217.7148)" C18 H34 Cl N9 O FindByFormula + 427.2549 1.1285 C18 H34 N10 O3 S " [ C18 H34 N10 O3 S, mfg=83.64, tgt=, overall=83.64 ]" "(471.26093, 3550.6099)(472.2609, 789.65753)(473.2692, 363.71335)(493.24365, 3276.8052)(494.24573, 1120.0675)" C18 H34 N10 O3 S FindByFormula + 470.2531 9.86775 C18 H34 N10 O3 S + 9.854667 " [ C18 H34 N10 O3 S, mfg=83.82, tgt=, overall=83.82 ]" "(471.26074, 4780.437)(472.26175, 1187.0868)(473.2713, 580.53503)(509.21478, 507.71)(493.24304, 3829.4766)(494.2446, 1357.52)(495.24973, 337.96)" C18 H34 N10 O3 S + 9.854667 FindByFormula + 470.2522 9.854667 C18 H35 N O4 " [ C18 H35 N O4, mfg=71.68, tgt=, overall=71.68 ]" "(330.26358, 1873.582)(331.26456, 490.14398)(352.246, 371.66)" C18 H35 N O4 FindByFormula + 329.2568 10.837 C18 H35 N O4 + 10.816 " [ C18 H35 N O4, mfg=76.59, tgt=, overall=76.59 ]" "(330.2633, 2678.7)(331.26575, 690.25)" C18 H35 N O4 + 10.816 FindByFormula + 329.2569 10.816 C18 H35 N23 O " [ C18 H35 N23 O, mfg=66.83, tgt=, overall=66.83 ]" "(590.3463, 2217.64)(591.3417, 686.415)(612.3272, 402.62)" C18 H35 N23 O FindByFormula + 589.3399 1.0955 C18 H35 N7 O2 " [ C18 H35 N7 O2, mfg=60.52, tgt=, overall=60.52 ]" "(382.29297, 1393.3799)(383.2936, 534.12)" C18 H35 N7 O2 FindByFormula + 381.2851 15.657001 C18 H35 N7 O3 " [ C18 H35 N7 O3, mfg=98.29, tgt=, overall=98.29 ]" "(398.28806, 8318.353)(399.2905, 1931.6617)(400.29037, 333.5375)" C18 H35 N7 O3 FindByFormula + 397.282 13.363376 C18 H36 Cl N11 O13 " [ C18 H36 Cl N11 O13, mfg=80.19, tgt=, overall=80.19 ]" "(650.22736, 2092.7034)(651.2297, 544.83)(652.2171, 743.49664)(672.2088, 874.76)(673.2139, 513.71)(674.1957, 116.82)" C18 H36 Cl N11 O13 FindByFormula + 649.2215 16.856 C18 H36 N6 O3 " [ C18 H36 N6 O3, mfg=94.72, tgt=, overall=94.72 ]" "(385.29227, 5112.5327)(386.29474, 1202.6073)(387.29172, 262.28333)" C18 H36 N6 O3 FindByFormula + 384.2849 18.402555 C18 H36 N6 O3 + 17.999832 " [ C18 H36 N6 O3, mfg=96.35, tgt=, overall=96.35 ]" "(385.292, 2592.1216)(386.2941, 639.375)(387.2947, 128.00667)" C18 H36 N6 O3 + 17.999832 FindByFormula + 384.2847 17.999832 C18 H4 Cl3 N7 O3 S4 " [ C18 H4 Cl3 N7 O3 S4, mfg=47.62, tgt=, overall=47.62 ]" "(1196.6533, 739.41003)(1197.6545, 599.1)(597.82513, 267.815)" C18 H4 Cl3 N7 O3 S4 FindByFormula - 598.8302 7.665 C18 H4 N4 O4 S " [ C18 H4 N4 O4 S, mfg=71.94, tgt=, overall=71.94 ]" "(373.00177, 1312.845)(374.00592, 253.745)" C18 H4 N4 O4 S FindByFormula + 371.995 4.5055 C18 H41 N11 O6 " [ C18 H41 N11 O6, mfg=93.86, tgt=, overall=93.86 ]" "(508.33102, 509614.28)(509.33374, 95027.09)(510.3347, 14536.97)" C18 H41 N11 O6 FindByFormula + 507.3248 17.430038 C18 H41 N5 O7 " [ C18 H41 N5 O7, mfg=92.66, tgt=, overall=92.66 ]" "(438.29248, 1659.76)(439.29773, 316.045)(440.29358, 44.1)" C18 H41 N5 O7 FindByFormula - 439.2996 13.755 C18 H41 N5 O8 S " [ C18 H41 N5 O8 S, mfg=62.15, tgt=, overall=62.15 ]" "(486.2616, 1353.895)(487.25745, 241.30252)" C18 H41 N5 O8 S FindByFormula - 487.268 7.8110003 C18 H42 Cl N7 O3 S " [ C18 H42 Cl N7 O3 S, mfg=63.58, tgt=, overall=63.58 ]" "(470.26462, 2084.1233)(471.26416, 631.04)(472.27698, 1144.595)" C18 H42 Cl N7 O3 S FindByFormula - 471.2726 7.8556666 C18 H42 N10 O11 " [ C18 H42 N10 O11, mfg=87.11, tgt=, overall=87.11 ]" "(575.313, 2863.2776)(576.30493, 669.015)(577.3087, 94.435)" C18 H42 N10 O11 FindByFormula + 574.304 7.712 C18 H43 N7 " [ C18 H43 N7, mfg=77.37, tgt=, overall=77.37 ]" "(358.36578, 2677.395)(359.36853, 778.675)" C18 H43 N7 FindByFormula + 357.3567 9.587 C18 H45 N13 O4 " [ C18 H45 N13 O4, mfg=58.35, tgt=, overall=58.35 ]" "(508.3755, 22446.4)(509.37823, 6760.9224)(510.3559, 14951.939)(546.3355, 1973.03)(547.3329, 547.5)(530.3579, 44406.812)(531.3603, 13210.819)(532.3384, 46303.88)(533.34076, 13055.054)" C18 H45 N13 O4 FindByFormula + 507.3659 15.986 C18 H45 N13 O4 S2 " [ C18 H45 N13 O4 S2, mfg=46.44, tgt=, overall=46.44 ]" "(572.3227, 7735.9297)(573.31885, 642.33)(574.3092, 1256.19)" C18 H45 N13 O4 S2 FindByFormula + 571.3154 9.137 C18 H6 N2 O8 " [ C18 H6 N2 O8, mfg=80.63, tgt=, overall=80.63 ]" "(379.0192, 2486.6619)(380.02097, 492.7722)" C18 H6 N2 O8 FindByFormula + 378.0121 4.417944 C18 H6 N2 O8 + 4.4295382 " [ C18 H6 N2 O8, mfg=80.21, tgt=, overall=80.21 ]" "(379.01917, 2425.1208)(380.021, 517.00226)" C18 H6 N2 O8 + 4.4295382 FindByFormula + 378.0113 4.4295382 C18 H6 N2 O8 + 4.454 " [ C18 H6 N2 O8, mfg=73.06, tgt=, overall=73.06 ]" "(379.01895, 2577.05)(380.01965, 598.5575)" C18 H6 N2 O8 + 4.454 FindByFormula + 378.0122 4.454 C18 H7 N O10 " [ C18 H7 N O10, mfg=73.13, tgt=, overall=73.13 ]" "(398.0137, 2436.08)(399.0148, 363.785)" C18 H7 N O10 FindByFormula + 397.006 1.0309999 C18 H8 N2 O18 " [ C18 H8 N2 O18, mfg=76.56, tgt=, overall=76.56 ]" "(1080.9435, 80.63)(540.9852, 5629.7354)(541.9896, 1140.925)" C18 H8 N2 O18 FindByFormula + 539.9792 9.109501 C18 H8 O4 " [ C18 H8 O4, mfg=83.19, tgt=, overall=41.59 ]" "(599.07184, 392.93866)(600.0721, 194.42201)(289.0502, 2457.881)(290.05173, 390.66705)(311.0322, 2747.6653)(312.03528, 472.23544)" C18 H8 O4 FindByFormula + 288.0432 4.4285 C18 H9 N3 O19 " [ C18 H9 N3 O19, mfg=59.38, tgt=, overall=59.38 ]" "(571.98846, 5548.0225)(572.9875, 861.5775)" C18 H9 N3 O19 FindByFormula + 570.9784 9.120501 C18 H9 N5 O S " [ C18 H9 N5 O S, mfg=88.45, tgt=, overall=44.22 ]" "(344.0606, 8332.192)(345.0626, 1639.2825)(346.06573, 666.5125)(382.0127, 1388.14)(366.04092, 2686.6826)(367.04565, 291.765)" C18 H9 N5 O S FindByFormula + 343.0541 0.99875003 C19 H10 " [ C19 H10, mfg=69.59, tgt=, overall=69.59 ]" "(239.08574, 1998.925)(240.08504, 286.1325)(277.0419, 386.75333)(261.0667, 3401.74)(262.07523, 487.13248)" C19 H10 FindByFormula + 238.0778 2.48425 C19 H10 O17 S " [ C19 H10 O17 S, mfg=58.74, tgt=, overall=58.74 ]" "(542.9711, 9242.177)(543.97174, 653.45337)" C19 H10 O17 S FindByFormula + 541.9635 9.093333 C19 H12 N2 " [ C19 H12 N2, mfg=50.74, tgt=, overall=50.74 ]" "(269.10675, 1761.99)(270.11713, 621.85)(291.08948, 512.3)" C19 H12 N2 FindByFormula + 268.0997 10.533501 C19 H12 N2 S " [ C19 H12 N2 S, mfg=65.26, tgt=, overall=65.26 ]" "(301.08005, 1180.3)(302.07816, 292.15)" C19 H12 N2 S FindByFormula + 300.07 11.128 C19 H14 N14 S " [ C19 H14 N14 S, mfg=93.90, tgt=, overall=93.90 ]" "(471.132, 6806.6973)(472.1354, 1744.6714)(473.1359, 386.71667)(493.11346, 1365.7825)(494.11777, 333.00998)(495.1284, 311.08)" C19 H14 N14 S FindByFormula + 470.1239 12.440333 C19 H14 N14 S + 13.188 " [ C19 H14 N14 S, mfg=84.82, tgt=, overall=84.82 ]" "(471.1342, 2637.9666)(472.1342, 695.09)(473.1256, 148.95)(493.11353, 1068.8049)(494.1255, 150.36)" C19 H14 N14 S + 13.188 FindByFormula + 470.1247 13.188 C19 H14 N4 O " [ C19 H14 N4 O, mfg=78.75, tgt=, overall=78.75 ]" "(313.1107, 2170.1)(314.1145, 435.47336)" C19 H14 N4 O FindByFormula - 314.1176 9.303666 C19 H16 N4 O " [ C19 H16 N4 O, mfg=81.44, tgt=, overall=81.44 ]" "(315.12604, 2810.9648)(316.1281, 532.1175)" C19 H16 N4 O FindByFormula - 316.132 8.6970005 C19 H16 O2 " [ C19 H16 O2, mfg=78.78, tgt=, overall=78.78 ]" "(275.10718, 1734.182)(276.10938, 284.86603)" C19 H16 O2 FindByFormula - 276.1151 8.563 C19 H17 N9 O4 " [ C19 H17 N9 O4, mfg=80.58, tgt=, overall=80.58 ]" "(434.13223, 3732.2664)(435.13657, 824.38)" C19 H17 N9 O4 FindByFormula - 435.1363 6.9282 C19 H18 N6 O3 " [ C19 H18 N6 O3, mfg=83.04, tgt=, overall=41.52 ]" "(379.1518, 18188.893)(380.1547, 4546.7485)" C19 H18 N6 O3 FindByFormula + 378.1429 13.925823 C19 H19 N13 O7 S " [ C19 H19 N13 O7 S, mfg=91.92, tgt=, overall=91.92 ]" "(572.1186, 11021.906)(573.1212, 2666.9146)(574.1231, 558.79926)" C19 H19 N13 O7 S FindByFormula - 573.125 1.5759228 C19 H2 Cl2 O S3 " [ C19 H2 Cl2 O S3, mfg=47.57, tgt=, overall=47.57 ]" "(412.86276, 5843.7124)(413.8646, 419.01)(414.86597, 405.97913)(450.8275, 314.1)" C19 H2 Cl2 O S3 FindByFormula + 411.855 27.4475 C19 H20 N12 O " [ C19 H20 N12 O, mfg=97.13, tgt=, overall=97.13 ]" "(431.18118, 4532.1665)(432.18484, 1065.4429)(433.1863, 167.60167)" C19 H20 N12 O FindByFormula - 432.1882 12.703461 C19 H20 N2 O4 " [ C19 H20 N2 O4, mfg=73.13, tgt=, overall=73.13 ]" "(341.14783, 4922.7188)(342.1515, 1265.47)(363.1286, 558.605)" C19 H20 N2 O4 FindByFormula + 340.1398 9.066 C19 H21 N7 " [ C19 H21 N7, mfg=84.59, tgt=, overall=84.59 ]" "(346.1779, 1435.06)(347.1806, 318.075)" C19 H21 N7 FindByFormula - 347.1831 25.4627 C19 H21 N7 O3 " [ C19 H21 N7 O3, mfg=93.20, tgt=, overall=93.20 ]" "(394.16464, 6290.506)(395.1679, 1323.3473)(396.16983, 222.00578)" C19 H21 N7 O3 FindByFormula - 395.174 7.5163155 C19 H23 N21 O " [ C19 H23 N21 O, mfg=79.25, tgt=, overall=79.25 ]" "(281.6279, 886.86)(282.129, 264.13)(562.24536, 995.21594)(563.24567, 349.06876)(564.2513, 267.51)(584.22766, 773.2325)(585.23236, 350.65717)(586.2394, 493.2)" C19 H23 N21 O FindByFormula + 561.2383 16.858458 C19 H24 N2 O7 S " [ C19 H24 N2 O7 S, mfg=97.31, tgt=, overall=97.31 ]" "(213.06937, 6587.114)(213.57092, 1866.153)(214.06906, 346.26712)(425.138, 357983.56)(426.14105, 88936.766)(427.1384, 41354.6)(428.13992, 8844.396)(429.14096, 1626.9332)(430.1369, 226.33)" C19 H24 N2 O7 S FindByFormula + 424.1286 11.820533 C19 H24 N6 O " [ C19 H24 N6 O, mfg=84.77, tgt=, overall=84.77 ]" "(351.19345, 2017.02)(352.19598, 473.39502)" C19 H24 N6 O FindByFormula - 352.2022 9.808 C19 H25 N O23 " [ C19 H25 N O23, mfg=95.48, tgt=, overall=95.48 ]" "(636.08905, 5426.435)(637.09076, 1334.3)(638.0958, 310.59)(658.0724, 2448.16)(659.0698, 562.45996)" C19 H25 N O23 FindByFormula + 635.0795 1.1554999 C19 H26 N6 O4 " [ C19 H26 N6 O4, mfg=79.37, tgt=, overall=79.37 ]" "(401.19315, 2541.4265)(402.19604, 657.64996)" C19 H26 N6 O4 FindByFormula - 402.1991 11.824666 C19 H27 Cl N6 O2 S " [ C19 H27 Cl N6 O2 S, mfg=97.28, tgt=, overall=97.28 ]" "(437.15363, 30446.305)(438.1561, 7686.525)(439.15146, 11023.965)(440.15417, 2602.98)(441.16022, 495.445)" C19 H27 Cl N6 O2 S FindByFormula - 438.1634 9.723499 C19 H27 N25 " [ C19 H27 N25, mfg=71.84, tgt=, overall=71.84 ]" "(604.27997, 1286.68)(605.2877, 415.06)" C19 H27 N25 FindByFormula - 605.2861 7.3780003 C19 H28 N14 O4 S3 " [ C19 H28 N14 O4 S3, mfg=95.06, tgt=, overall=95.06 ]" "(611.1499, 2338.1401)(612.1519, 630.38)(613.1485, 390.29333)" C19 H28 N14 O4 S3 FindByFormula - 612.1555 1.0150833 C19 H28 N8 O " [ C19 H28 N8 O, mfg=80.75, tgt=, overall=80.75 ]" "(383.23187, 1925.5275)(384.23303, 379.52002)" C19 H28 N8 O FindByFormula - 384.239 7.4725 C19 H28 N8 O2 " [ C19 H28 N8 O2, mfg=54.54, tgt=, overall=54.54 ]" "(399.2272, 2182.81)(400.22437, 861.525)" C19 H28 N8 O2 FindByFormula - 400.234 6.824 C19 H29 N O4 S " [ C19 H29 N O4 S, mfg=86.37, tgt=, overall=86.37 ]" "(368.18814, 4320.7754)(369.19574, 1121.73)(370.19025, 364.03003)" C19 H29 N O4 S FindByFormula + 367.1823 10.691 C19 H29 N11 O5 " [ C19 H29 N11 O5, mfg=95.54, tgt=, overall=95.54 ]" "(1021.4319, 54.97)(246.62561, 3401.129)(247.12593, 867.04846)(247.62238, 207.99554)(492.2422, 6042.9443)(493.24335, 1489.3845)(494.24228, 289.1125)(514.22723, 804.2109)(515.2231, 290.614)(516.2174, 460.47)" C19 H29 N11 O5 FindByFormula + 491.2358 14.5306 C19 H29 N11 O5 + 14.508723 " [ C19 H29 N11 O5, mfg=94.57, tgt=, overall=94.57 ]" "(246.62595, 2717.3157)(247.1262, 741.71466)(247.62688, 141.39833)(492.2435, 4206.223)(493.24463, 1043.6572)(494.25046, 278.90182)(514.22864, 355.79874)(515.23456, 72.78333)" C19 H29 N11 O5 + 14.508723 FindByFormula + 491.2381 14.508723 C19 H29 N15 O7 S " [ C19 H29 N15 O7 S, mfg=95.74, tgt=, overall=95.74 ]" "(612.21655, 7409.994)(613.2181, 2205.03)(614.2168, 972.09607)" C19 H29 N15 O7 S FindByFormula + 611.2093 15.198875 C19 H3 N O14 " [ C19 H3 N O14, mfg=61.35, tgt=, overall=61.35 ]" "(469.96497, 1815.1533)(470.9672, 537.85004)" C19 H3 N O14 FindByFormula + 468.9578 2.067 C19 H30 N10 " [ C19 H30 N10, mfg=60.70, tgt=, overall=60.70 ]" "(399.27313, 2099.5352)(400.27405, 896.975)" C19 H30 N10 FindByFormula + 398.2682 8.7075 C19 H30 N10 - 10.031301 " [ C19 H30 N10, mfg=83.64, tgt=, overall=83.64 ]" "(397.25766, 4085.895)(398.26138, 1005.529)" C19 H30 N10 - 10.031301 FindByFormula - 398.2684 10.031301 C19 H30 N10 - 10.0595 " [ C19 H30 N10, mfg=84.14, tgt=, overall=84.14 ]" "(397.2578, 3590.255)(398.2611, 916.97003)" C19 H30 N10 - 10.0595 FindByFormula - 398.266 10.0595 C19 H30 N10 - 10.0595 :1 " [ C19 H30 N10, mfg=83.91, tgt=, overall=83.91 ]" "(397.25806, 3718.92)(398.26123, 979.28503)" C19 H30 N10 - 10.0595 :1 FindByFormula - 398.2693 10.0595 C19 H30 N10 - 10.68475 " [ C19 H30 N10, mfg=85.44, tgt=, overall=85.44 ]" "(397.25806, 3090.7026)(398.26086, 735.81995)" C19 H30 N10 - 10.68475 FindByFormula - 398.2703 10.68475 C19 H30 N10 - 10.695832 " [ C19 H30 N10, mfg=83.92, tgt=, overall=83.92 ]" "(397.25742, 2366.4685)(398.26053, 576.4766)" C19 H30 N10 - 10.695832 FindByFormula - 398.2671 10.695832 C19 H30 N10 - 10.74325 " [ C19 H30 N10, mfg=84.59, tgt=, overall=84.59 ]" "(397.25763, 1773.0575)(398.26062, 434.5275)" C19 H30 N10 - 10.74325 FindByFormula - 398.2651 10.74325 C19 H30 N10 - 11.4585 " [ C19 H30 N10, mfg=84.15, tgt=, overall=84.15 ]" "(397.25763, 3457.825)(398.261, 797.33997)" C19 H30 N10 - 11.4585 FindByFormula - 398.2686 11.4585 C19 H30 N10 - 11.4585 :1 " [ C19 H30 N10, mfg=84.15, tgt=, overall=84.15 ]" "(397.25763, 3457.825)(398.261, 797.33997)" C19 H30 N10 - 11.4585 :1 FindByFormula - 398.2652 11.4585 C19 H30 N22 O " [ C19 H30 N22 O, mfg=81.94, tgt=, overall=81.94 ]" "(583.30505, 5385.055)(584.3076, 1475.17)" C19 H30 N22 O FindByFormula + 582.2963 7.647 C19 H30 N6 O4 " [ C19 H30 N6 O4, mfg=84.07, tgt=, overall=84.07 ]" "(405.22546, 8252.085)(406.22803, 1730.145)" C19 H30 N6 O4 FindByFormula - 406.2347 7.126 C19 H30 N8 O " [ C19 H30 N8 O, mfg=78.76, tgt=, overall=78.76 ]" "(385.24704, 1933.57)(386.24942, 574.19666)" C19 H30 N8 O FindByFormula - 386.255 7.5253334 C19 H30 N8 O3 " [ C19 H30 N8 O3, mfg=79.10, tgt=, overall=79.10 ]" "(417.23834, 2933.2798)(418.24072, 640.68)" C19 H30 N8 O3 FindByFormula - 418.246 22.373001 C19 H31 N O4 " [ C19 H31 N O4, mfg=76.65, tgt=, overall=76.65 ]" "(338.23254, 4967.902)(339.23273, 1112.4221)" C19 H31 N O4 FindByFormula + 337.2235 10.4144 C19 H31 N O4 S " [ C19 H31 N O4 S, mfg=89.91, tgt=, overall=89.91 ]" "(370.20444, 4131.1567)(371.20972, 794.8967)(372.20935, 222.55998)" C19 H31 N O4 S FindByFormula + 369.1975 11.207 C19 H31 N O4 S + 11.174 " [ C19 H31 N O4 S, mfg=96.54, tgt=, overall=96.54 ]" "(370.20465, 5310.8154)(371.2085, 1032.28)(372.2023, 355.33502)" C19 H31 N O4 S + 11.174 FindByFormula + 369.1967 11.174 C19 H31 N17 O3 " [ C19 H31 N17 O3, mfg=77.31, tgt=, overall=77.31 ]" "(544.2713, 2212.9133)(545.27496, 685.63007)" C19 H31 N17 O3 FindByFormula - 545.2787 6.5096664 C19 H32 N12 O2 " [ C19 H32 N12 O2, mfg=95.02, tgt=, overall=95.02 ]" "(459.2688, 8965.897)(460.27225, 2587.423)(461.2734, 464.48856)" C19 H32 N12 O2 FindByFormula - 460.2741 13.628285 C19 H32 N12 O2 - 13.647901 " [ C19 H32 N12 O2, mfg=93.18, tgt=, overall=93.18 ]" "(459.26865, 6993.0156)(460.27246, 2002.9219)(461.2757, 134.77)" C19 H32 N12 O2 - 13.647901 FindByFormula - 460.277 13.647901 C19 H32 N14 O5 " [ C19 H32 N14 O5, mfg=76.89, tgt=, overall=76.89 ]" "(537.2747, 2525.4465)(538.2762, 781.8567)" C19 H32 N14 O5 FindByFormula + 536.2673 26.032999 C19 H32 N8 O4 " [ C19 H32 N8 O4, mfg=94.94, tgt=, overall=94.94 ]" "(437.26196, 15990.935)(438.26596, 4408.332)(439.2683, 896.3039)" C19 H32 N8 O4 FindByFormula + 436.2572 13.7269 C19 H32 O3 S " [ C19 H32 O3 S, mfg=93.15, tgt=, overall=93.15 ]" "(339.1988, 3849.408)(340.20227, 983.7262)(341.19894, 316.815)" C19 H32 O3 S FindByFormula - 340.2063 24.016125 C19 H32 O3 S - 22.444666 " [ C19 H32 O3 S, mfg=85.26, tgt=, overall=85.26 ]" "(339.1987, 1631.0668)(340.20114, 340.19333)(341.198, 210.29668)" C19 H32 O3 S - 22.444666 FindByFormula - 340.206 22.444666 C19 H32 O3 S - 22.867 " [ C19 H32 O3 S, mfg=93.71, tgt=, overall=93.71 ]" "(339.19876, 1688.1649)(340.2016, 395.34875)(341.19992, 142.73)" C19 H32 O3 S - 22.867 FindByFormula - 340.2065 22.867 C19 H32 O3 S - 24.0112 " [ C19 H32 O3 S, mfg=88.84, tgt=, overall=88.84 ]" "(339.19882, 3178.3782)(340.20197, 896.24005)(341.19864, 292.93802)" C19 H32 O3 S - 24.0112 FindByFormula - 340.2068 24.0112 C19 H33 N17 O5 " [ C19 H33 N17 O5, mfg=96.81, tgt=, overall=96.81 ]" "(1159.5725, 890.99695)(1160.5774, 690.7343)(1161.5748, 449.7457)(1181.5609, 208.884)(1182.5883, 157.16)(580.2918, 39219.54)(581.2951, 11334.479)(582.29614, 2840.9236)(583.2989, 1048.1747)(618.24817, 613.622)(602.27405, 20176.785)(603.27844, 5655.3022)(604.2809, 1430.002)(605.28, 419.81998)" C19 H33 N17 O5 FindByFormula + 579.2851 14.779871 C19 H33 N17 O5 + 14.791125 " [ C19 H33 N17 O5, mfg=97.19, tgt=, overall=97.19 ]" "(1159.5717, 172.76)(1160.5641, 31.58)(1181.5437, 221.27)(580.29224, 38085.887)(581.2956, 11106.304)(582.2974, 2505.6558)(583.3105, 300.28665)(618.2476, 828.73334)(602.27466, 19691.4)(603.27856, 5528.979)(604.2811, 1438.9794)(605.2743, 189.71)" C19 H33 N17 O5 + 14.791125 FindByFormula + 579.2865 14.791125 C19 H34 N16 " [ C19 H34 N16, mfg=78.47, tgt=, overall=78.47 ]" "(487.32425, 3296.58)(488.3248, 905.4167)" C19 H34 N16 FindByFormula + 486.3145 11.1206665 C19 H34 N24 O " [ C19 H34 N24 O, mfg=73.45, tgt=, overall=73.45 ]" "(613.3259, 33062.31)(614.3347, 9037.47)" C19 H34 N24 O FindByFormula - 614.332 7.9909997 C19 H34 N4 O6 " [ C19 H34 N4 O6, mfg=98.08, tgt=, overall=98.08 ]" "(867.4557, 899.6875)(415.25198, 888.46576)(416.25583, 181.1425)(453.2136, 3215.904)(454.21872, 966.6557)(455.2105, 392.0475)(437.23706, 36351.793)(438.2403, 7557.828)(439.23895, 1542.3407)" C19 H34 N4 O6 FindByFormula + 414.2468 7.5669436 C19 H34 N6 O5 " [ C19 H34 N6 O5, mfg=99.35, tgt=, overall=99.35 ]" "(427.2667, 25686.023)(428.2693, 6247.425)(429.27066, 1031.7869)(465.2327, 118.78)(449.25162, 1062.535)(450.2557, 351.44333)" C19 H34 N6 O5 FindByFormula + 426.2596 9.9349 C19 H35 N7 O2 " [ C19 H35 N7 O2, mfg=73.29, tgt=, overall=36.64 ]" "(394.29306, 5652.845)(395.29276, 1630.6499)" C19 H35 N7 O2 FindByFormula + 393.2843 13.2023325 C19 H35 N7 O4 " [ C19 H35 N7 O4, mfg=69.85, tgt=, overall=69.85 ]" "(426.28232, 1857.332)(427.28384, 620.95703)" C19 H35 N7 O4 FindByFormula + 425.2767 15.110998 C19 H36 N2 O4 S2 " [ C19 H36 N2 O4 S2, mfg=87.57, tgt=, overall=87.57 ]" "(419.20346, 3108.76)(420.20575, 708.28796)(421.2146, 434.91397)" C19 H36 N2 O4 S2 FindByFormula - 420.2118 10.4911995 C19 H36 N2 O5 " [ C19 H36 N2 O5, mfg=77.18, tgt=, overall=77.18 ]" "(373.26868, 3061.4348)(374.27136, 789.7517)" C19 H36 N2 O5 FindByFormula + 372.2614 23.952835 C19 H37 N O2 S " [ C19 H37 N O2 S, mfg=97.62, tgt=, overall=97.62 ]" "(344.26236, 8928.425)(345.2652, 2135.255)(346.2626, 624.815)" C19 H37 N O2 S FindByFormula + 343.2548 18.8805 C19 H37 N O5 " [ C19 H37 N O5, mfg=99.42, tgt=, overall=99.42 ]" "(360.2746, 23082.777)(361.2779, 5260.11)(362.27896, 787.5818)(398.2315, 689.58)(382.25595, 4597.34)(383.25748, 1107.6707)" C19 H37 N O5 FindByFormula + 359.2679 10.304218 C19 H37 N O5 + 10.302261 " [ C19 H37 N O5, mfg=99.00, tgt=, overall=99.00 ]" "(360.27444, 23060.742)(361.27768, 5306.327)(362.27768, 790.07263)(382.2557, 4606.606)(383.25836, 1089.2731)" C19 H37 N O5 + 10.302261 FindByFormula + 359.2657 10.302261 C19 H37 N7 O5 " [ C19 H37 N7 O5, mfg=70.86, tgt=, overall=70.86 ]" "(444.2924, 5359.48)(445.29358, 1676.9766)" C19 H37 N7 O5 FindByFormula + 443.2861 6.903666 C19 H37 N9 O3 " [ C19 H37 N9 O3, mfg=96.74, tgt=, overall=96.74 ]" "(438.29437, 9513.48)(439.29755, 2548.5325)(440.30078, 587.9067)" C19 H37 N9 O3 FindByFormula - 439.2991 14.982 C19 H38 N2 O3 " [ C19 H38 N2 O3, mfg=95.72, tgt=, overall=95.72 ]" "(343.29498, 3631.3025)(344.29782, 874.473)(345.29346, 106.56817)(381.2516, 867.18555)(382.2534, 189.39749)(365.2774, 6850.4653)(366.27942, 1683.5167)(367.2832, 357.35446)" C19 H38 N2 O3 FindByFormula + 342.2885 11.005334 C19 H38 N4 O4 " [ C19 H38 N4 O4, mfg=80.22, tgt=, overall=80.22 ]" "(387.29578, 3550.87)(388.2975, 801.68005)" C19 H38 N4 O4 FindByFormula + 386.2887 3.1265001 C19 H38 N4 O4 + 3.1636667 " [ C19 H38 N4 O4, mfg=80.52, tgt=, overall=80.52 ]" "(387.296, 3027.0635)(388.29825, 769.0267)(409.2773, 122.64)" C19 H38 N4 O4 + 3.1636667 FindByFormula + 386.29 3.1636667 C19 H38 N6 O3 " [ C19 H38 N6 O3, mfg=95.68, tgt=, overall=95.68 ]" "(820.6067, 71.38)(399.3076, 2695.8298)(400.31064, 745.22)(401.3123, 154.39334)" C19 H38 N6 O3 FindByFormula + 398.301 19.440332 C19 H39 N13 " [ C19 H39 N13, mfg=63.06, tgt=, overall=63.06 ]" "(450.3527, 2078.11)(451.35367, 872.7066)" C19 H39 N13 FindByFormula + 449.3443 16.551332 C19 H39 N3 O13 " [ C19 H39 N3 O13, mfg=96.43, tgt=, overall=96.43 ]" "(259.63528, 2666.5967)(260.13766, 751.4381)(518.25586, 5548.649)(519.2576, 1111.0536)(520.2588, 306.4914)(540.242, 407.87128)" C19 H39 N3 O13 FindByFormula + 517.252 15.106182 C19 H39 N7 O13 " [ C19 H39 N7 O13, mfg=92.23, tgt=, overall=92.23 ]" "(572.2529, 1949.225)(573.2561, 560.03503)(574.2605, 52.04)" C19 H39 N7 O13 FindByFormula - 573.2618 15.143 C19 H39 N7 O2 " [ C19 H39 N7 O2, mfg=92.60, tgt=, overall=92.60 ]" "(398.32428, 5584.8364)(399.32822, 1479.2231)(400.3245, 295.93832)" C19 H39 N7 O2 FindByFormula + 397.3159 13.678333 C19 H39 N7 O9 S3 " [ C19 H39 N7 O9 S3, mfg=83.37, tgt=, overall=83.37 ]" "(606.2014, 4745.17)(607.2032, 1275.1343)(608.21594, 800.81244)(628.18494, 2512.8486)(629.1849, 755.61395)(630.1968, 297.558)" C19 H39 N7 O9 S3 FindByFormula + 605.1927 15.214249 C19 H40 N14 O5 " [ C19 H40 N14 O5, mfg=81.18, tgt=, overall=81.18 ]" "(543.3234, 4014.22)(544.32404, 1015.5534)" C19 H40 N14 O5 FindByFormula - 544.33 0.743 C19 H40 N20 O2 S " [ C19 H40 N20 O2 S, mfg=99.02, tgt=, overall=99.02 ]" "(1225.6625, 426.09668)(1263.6259, 397.67664)(613.34344, 34139.4)(614.3446, 10250.846)(615.34436, 2900.634)(616.3425, 838.8655)(651.30444, 548.4433)(635.3377, 551.5143)" C19 H40 N20 O2 S FindByFormula + 612.3364 8.038944 C19 H40 O3 S4 " [ C19 H40 O3 S4, mfg=81.61, tgt=, overall=81.61 ]" "(445.19482, 3267.87)(446.19946, 964.27997)(447.1897, 723.94)" C19 H40 O3 S4 FindByFormula + 444.1871 9.190999 C19 H41 N " [ C19 H41 N, mfg=99.68, tgt=, overall=99.68 ]" "(284.33096, 25842.652)(285.33432, 5608.13)(286.3366, 671.5615)" C19 H41 N FindByFormula + 283.3242 15.140249 C19 H41 N + 15.143447 " [ C19 H41 N, mfg=99.52, tgt=, overall=99.52 ]" "(284.33087, 25907.67)(285.3343, 5628.104)(286.33655, 673.3804)" C19 H41 N + 15.143447 FindByFormula + 283.3247 15.143447 C19 H41 N + 26.587263 " [ C19 H41 N, mfg=93.92, tgt=, overall=93.92 ]" "(284.331, 4184.4653)(285.3345, 733.9995)(286.33463, 167.32947)" C19 H41 N + 26.587263 FindByFormula + 283.3235 26.587263 C19 H41 N O2 " [ C19 H41 N O2, mfg=98.98, tgt=, overall=98.98 ]" "(316.32092, 14310.951)(317.32407, 3187.8381)(318.32358, 424.05)" C19 H41 N O2 FindByFormula + 315.316 12.778667 C19 H41 N O2 + 12.46375 " [ C19 H41 N O2, mfg=82.26, tgt=, overall=82.26 ]" "(316.3211, 3847.4575)(317.32263, 817.515)(338.3021, 168.79)" C19 H41 N O2 + 12.46375 FindByFormula + 315.3141 12.46375 C19 H41 N O2 + 12.5366 " [ C19 H41 N O2, mfg=97.55, tgt=, overall=97.55 ]" "(316.32108, 4385.874)(317.3234, 944.92596)(318.32355, 144.005)" C19 H41 N O2 + 12.5366 FindByFormula + 315.3136 12.5366 C19 H41 N O2 + 12.777727 " [ C19 H41 N O2, mfg=98.55, tgt=, overall=98.55 ]" "(316.32074, 14545.763)(317.3239, 3267.6726)(318.32483, 554.95325)(338.2985, 99.06)" C19 H41 N O2 + 12.777727 FindByFormula + 315.314 12.777727 C19 H41 N O2 + 12.919112 " [ C19 H41 N O2, mfg=99.47, tgt=, overall=99.47 ]" "(316.3209, 15373.557)(317.32422, 3413.6487)(318.32556, 521.0063)" C19 H41 N O2 + 12.919112 FindByFormula + 315.3137 12.919112 C19 H41 N O2 + 12.952484 " [ C19 H41 N O2, mfg=99.36, tgt=, overall=99.36 ]" "(316.321, 16434.328)(317.3241, 3698.6272)(318.3255, 542.007)(338.30136, 277.56003)" C19 H41 N O2 + 12.952484 FindByFormula + 315.3139 12.952484 C19 H41 N O2 + 12.975409 " [ C19 H41 N O2, mfg=99.31, tgt=, overall=99.31 ]" "(316.32077, 16780.81)(317.32407, 3816.726)(318.32635, 544.2684)(338.3002, 201.66)" C19 H41 N O2 + 12.975409 FindByFormula + 315.3135 12.975409 C19 H41 N O2 + 13.007537 " [ C19 H41 N O2, mfg=99.05, tgt=, overall=99.05 ]" "(316.32086, 16168.913)(317.3238, 3646.971)(318.3257, 550.7974)" C19 H41 N O2 + 13.007537 FindByFormula + 315.3139 13.007537 C19 H41 N O2 + 13.0817995 " [ C19 H41 N O2, mfg=99.61, tgt=, overall=99.61 ]" "(316.32108, 14452.717)(317.32465, 3150.862)(318.3252, 414.78204)" C19 H41 N O2 + 13.0817995 FindByFormula + 315.3145 13.0817995 C19 H41 N O2 + 13.106999 " [ C19 H41 N O2, mfg=85.49, tgt=, overall=85.49 ]" "(316.32086, 10724.957)(317.32394, 2361.7766)" C19 H41 N O2 + 13.106999 FindByFormula + 315.3156 13.106999 C19 H41 N21 O2 " [ C19 H41 N21 O2, mfg=79.46, tgt=, overall=79.46 ]" "(596.38385, 2043.3826)(597.3849, 518.0875)" C19 H41 N21 O2 FindByFormula + 595.3753 15.26075 C19 H41 N3 O13 " [ C19 H41 N3 O13, mfg=90.72, tgt=, overall=90.72 ]" "(260.64093, 3751.1077)(261.13803, 863.3454)(261.64163, 245.14102)(520.2708, 6339.747)(521.2763, 1770.8644)(522.2763, 496.5073)(558.21814, 167.07)(542.2563, 609.9573)(543.2555, 554.31)" C19 H41 N3 O13 FindByFormula + 519.2658 16.764875 C19 H42 N16 O3 S " [ C19 H42 N16 O3 S, mfg=93.10, tgt=, overall=93.10 ]" "(573.32794, 6391.2373)(574.33044, 1867.5549)(575.3237, 331.53)" C19 H42 N16 O3 S FindByFormula - 574.3346 7.9092503 C19 H42 N6 O " [ C19 H42 N6 O, mfg=79.30, tgt=, overall=79.30 ]" "(369.33517, 2598.3826)(370.33774, 743.2375)" C19 H42 N6 O FindByFormula - 370.3414 22.00975 C19 H43 N11 O6 " [ C19 H43 N11 O6, mfg=86.64, tgt=, overall=86.64 ]" "(522.3481, 7773.417)(523.3493, 1523.1595)(524.36255, 294.54874)" C19 H43 N11 O6 FindByFormula + 521.341 18.3336 C19 H43 N11 O9 " [ C19 H43 N11 O9, mfg=92.01, tgt=, overall=92.01 ]" "(570.3318, 5138.24)(571.3321, 1058.9534)(572.3326, 207.54668)" C19 H43 N11 O9 FindByFormula + 569.3252 17.336334 C19 H44 N14 O2 S " [ C19 H44 N14 O2 S, mfg=71.16, tgt=, overall=71.16 ]" "(531.3423, 1987.54)(532.3425, 461.775)" C19 H44 N14 O2 S FindByFormula - 532.349 16.768501 C19 H45 N11 O7 S " [ C19 H45 N11 O7 S, mfg=89.44, tgt=, overall=89.44 ]" "(572.3295, 7276.1265)(573.32745, 1965.6035)(574.33075, 750.85333)" C19 H45 N11 O7 S FindByFormula + 571.3209 15.459332 C19 H45 N15 O5 S " [ C19 H45 N15 O5 S, mfg=90.77, tgt=, overall=90.77 ]" "(596.35187, 197494.48)(597.3541, 42963.688)(598.3556, 7743.454)(599.3661, 438.78497)" C19 H45 N15 O5 S FindByFormula + 595.3438 9.090785 C19 H46 N6 O8 " [ C19 H46 N6 O8, mfg=71.28, tgt=, overall=71.28 ]" "(244.1761, 2863.42)(244.6818, 612.18)(487.349, 4074.26)(488.3557, 1439.98)(509.3294, 1740.875)(510.3352, 688.26495)" C19 H46 N6 O8 FindByFormula + 486.3385 1.9525 C19 H47 N9 O9 " [ C19 H47 N9 O9, mfg=94.22, tgt=, overall=94.22 ]" "(546.3563, 155653.22)(547.36005, 46478.906)(548.3612, 9155.151)" C19 H47 N9 O9 FindByFormula + 545.3466 17.224363 C19 H49 N15 O2 S3 " [ C19 H49 N15 O2 S3, mfg=53.53, tgt=, overall=53.53 ]" "(616.34595, 3279.7551)(617.3394, 344.71)(618.3343, 463.91)" C19 H49 N15 O2 S3 FindByFormula + 615.3403 9.2075 C19 H49 N15 O4 S4 " [ C19 H49 N15 O4 S4, mfg=82.48, tgt=, overall=82.48 ]" "(680.3057, 3594.0247)(681.3077, 1281.6783)(682.29694, 983.6817)" C19 H49 N15 O4 S4 FindByFormula + 679.2983 15.328334 C19 H50 N18 S " [ C19 H50 N18 S, mfg=94.46, tgt=, overall=94.46 ]" "(563.42566, 9339.155)(564.4297, 2801.82)(565.42737, 722.69)(585.4093, 2659.67)(586.4119, 876.45)(587.4152, 592.39)" C19 H50 N18 S FindByFormula + 562.4222 22.527 C19 H50 N18 S + 22.490667 " [ C19 H50 N18 S, mfg=94.65, tgt=, overall=94.65 ]" "(563.425, 7835.803)(564.4288, 2416.1633)(565.42365, 586.27)(585.4093, 2659.67)(586.4119, 876.45)(587.4152, 592.39)" C19 H50 N18 S + 22.490667 FindByFormula + 562.4217 22.490667 C19 H51 N21 O3 S " [ C19 H51 N21 O3 S, mfg=83.28, tgt=, overall=83.28 ]" "(654.42554, 8457.286)(655.42505, 2113.07)(656.42303, 671.70667)" C19 H51 N21 O3 S FindByFormula + 653.4181 17.958 C19 H6 N2 O2 " [ C19 H6 N2 O2, mfg=75.57, tgt=, overall=75.57 ]" "(293.03598, 3396.61)(294.03616, 843.95996)" C19 H6 N2 O2 FindByFormula - 294.0416 1.1003333 C19 H6 O19 S3 " [ C19 H6 O19 S3, mfg=63.79, tgt=, overall=63.79 ]" "(1306.7013, 91.125)(634.8761, 6268.7007)(635.8785, 630.5142)(636.8793, 341.70584)" C19 H6 O19 S3 FindByFormula + 633.8691 26.515663 C19 H6 O19 S3 + 26.498667 " [ C19 H6 O19 S3, mfg=65.30, tgt=, overall=65.30 ]" "(1306.6881, 200.25143)(634.87573, 5594.3955)(635.8776, 578.0)(636.8796, 287.52798)" C19 H6 O19 S3 + 26.498667 FindByFormula + 633.8677 26.498667 C19 H6 O19 S3 + 26.572584 " [ C19 H6 O19 S3, mfg=65.38, tgt=, overall=65.38 ]" "(1306.7001, 418.485)(634.87585, 6155.7065)(635.8786, 678.4809)(636.87946, 342.7427)" C19 H6 O19 S3 + 26.572584 FindByFormula + 633.8681 26.572584 C19 Sphingosine-1-phosphate "C19 Sphingosine-1-phosphate [ C19 H40 N O5 P, db=76.49, tgt=, overall=76.49, Lipid ID=LMSP01050004, METLIN ID=83701 ]" "(394.2688, 983.435)(416.25418, 11429.372)(417.2516, 3350.1475)(418.25476, 541.9275)" C19 Sphingosine-1-phosphate FindByFormula + LMSP01050004 393.2641 7.79125 C20 H N O10 S " [ C20 H N O10 S, mfg=54.01, tgt=, overall=54.01 ]" "(447.94037, 2198.1802)(448.93927, 172.09)" C20 H N O10 S FindByFormula + 446.9279 7.4165 C20 H13 N3 O20 " [ C20 H13 N3 O20, mfg=61.01, tgt=, overall=61.01 ]" "(616.01514, 5339.3276)(617.0129, 1151.22)" C20 H13 N3 O20 FindByFormula + 615.0085 9.1945 C20 H16 N12 O3 " [ C20 H16 N12 O3, mfg=98.44, tgt=, overall=98.44 ]" "(473.1537, 7233.5796)(474.1567, 1882.995)(475.15912, 410.0525)" C20 H16 N12 O3 FindByFormula + 472.1475 20.4865 C20 H16 N4 O6 S " [ C20 H16 N4 O6 S, mfg=72.87, tgt=, overall=72.87 ]" "(439.0715, 1499.56)(440.07446, 315.52002)" C20 H16 N4 O6 S FindByFormula - 440.0779 9.63 C20 H16 N4 O6 S - 9.63 " [ C20 H16 N4 O6 S, mfg=72.87, tgt=, overall=72.87 ]" "(439.0715, 1499.56)(440.07446, 315.52002)" C20 H16 N4 O6 S - 9.63 FindByFormula - 440.0781 9.63 C20 H17 N3 O5 S " [ C20 H17 N3 O5 S, mfg=92.54, tgt=, overall=92.54 ]" "(410.08063, 10495.32)(411.0837, 2130.1099)(412.08148, 1129.78)" C20 H17 N3 O5 S FindByFormula - 411.0857 8.5385 C20 H18 N18 O3 " [ C20 H18 N18 O3, mfg=78.40, tgt=, overall=78.40 ]" "(559.1884, 2348.865)(560.18915, 758.06)(581.1685, 101.925)" C20 H18 N18 O3 FindByFormula + 558.1794 12.6265 C20 H20 N10 O8 " [ C20 H20 N10 O8, mfg=71.73, tgt=, overall=71.73 ]" "(529.15314, 4002.625)(530.1582, 1265.065)" C20 H20 N10 O8 FindByFormula + 528.1451 6.708 C20 H22 N4 O S " [ C20 H22 N4 O S, mfg=94.23, tgt=, overall=47.12 ]" "(367.15857, 7294.7373)(368.15976, 1890.5425)(369.1599, 659.87)(405.1121, 219.74)(389.1396, 5354.5825)(390.13684, 2528.6152)(391.1293, 688.0)" C20 H22 N4 O S FindByFormula + 366.145 2.033 C20 H26 N12 O " [ C20 H26 N12 O, mfg=71.60, tgt=, overall=35.80 ]" "(451.2434, 1298.7)(452.2409, 398.84)" C20 H26 N12 O FindByFormula + 450.2347 10.5665 C20 H26 N6 O2 " [ C20 H26 N6 O2, mfg=77.34, tgt=, overall=38.67 ]" "(383.2177, 1958.965)(384.2213, 550.345)" C20 H26 N6 O2 FindByFormula + 382.2103 12.672 C20 H26 O4 S " [ C20 H26 O4 S, mfg=92.36, tgt=, overall=92.36 ]" "(363.16165, 8206.029)(364.16425, 1743.445)(365.1582, 419.60498)" C20 H26 O4 S FindByFormula + 362.1543 9.800501 C20 H27 N13 O6 S5 " [ C20 H27 N13 O6 S5, mfg=84.57, tgt=, overall=84.57 ]" "(706.08813, 5254.6294)(707.0891, 1934.2212)(708.0836, 1643.6161)" C20 H27 N13 O6 S5 FindByFormula + 705.0808 8.661667 C20 H27 N15 O7 " [ C20 H27 N15 O7, mfg=81.38, tgt=, overall=81.38 ]" "(590.225, 1112.1725)(591.226, 583.7)(628.185, 3062.055)(629.1843, 907.37)(630.1941, 232.19666)" C20 H27 N15 O7 FindByFormula + 589.2181 15.149 C20 H27 N17 O4 " [ C20 H27 N17 O4, mfg=75.91, tgt=, overall=75.91 ]" "(570.25037, 2658.1326)(571.2514, 898.78)" C20 H27 N17 O4 FindByFormula + 569.2408 15.735999 C20 H27 N21 O " [ C20 H27 N21 O, mfg=78.96, tgt=, overall=78.96 ]" "(578.2772, 2444.8015)(579.28046, 791.45856)(600.25793, 1462.2084)(601.2639, 573.312)" C20 H27 N21 O FindByFormula + 577.2705 13.359284 C20 H27 N3 O4 " [ C20 H27 N3 O4, mfg=50.08, tgt=, overall=50.08 ]" "(374.2091, 1884.6266)(375.2023, 756.1866)(412.1596, 884.97)(396.1846, 988.645)" C20 H27 N3 O4 FindByFormula + 373.198 0.97099996 C20 H28 N16 O6 S2 " [ C20 H28 N16 O6 S2, mfg=92.45, tgt=, overall=92.45 ]" "(653.1883, 16868.873)(654.19025, 4799.9595)(655.19403, 2565.2068)(656.2, 486.9567)(691.1444, 278.975)" C20 H28 N16 O6 S2 FindByFormula + 652.1809 1.1646667 C20 H28 N2 O2 S3 " [ C20 H28 N2 O2 S3, mfg=97.08, tgt=, overall=97.08 ]" "(425.13876, 37453.156)(426.14224, 9558.616)(427.13626, 5178.3438)(428.13956, 1037.4233)" C20 H28 N2 O2 S3 FindByFormula + 424.1311 11.311 C20 H28 N4 O10 " [ C20 H28 N4 O10, mfg=77.00, tgt=, overall=38.50 ]" "(485.18768, 2369.3743)(486.1905, 675.94)" C20 H28 N4 O10 FindByFormula + 484.1794 20.5006 C20 H28 O15 " [ C20 H28 O15, mfg=90.40, tgt=, overall=90.40 ]" "(509.1488, 13037.705)(510.1543, 3010.305)(511.1589, 1036.37)" C20 H28 O15 FindByFormula + 508.1434 0.9895 C20 H3 N O24 S " [ C20 H3 N O24 S, mfg=59.65, tgt=, overall=59.65 ]" "(673.88574, 619.78253)(674.8858, 143.375)" C20 H3 N O24 S FindByFormula + 672.8771 26.435001 C20 H3 N3 O16 S2 " [ C20 H3 N3 O16 S2, mfg=35.33, tgt=, overall=35.33 ]" "(605.90015, 1121.6375)(606.89636, 246.44249)" C20 H3 N3 O16 S2 FindByFormula + 604.8937 26.653252 C20 H30 N10 O4 " [ C20 H30 N10 O4, mfg=76.36, tgt=, overall=76.36 ]" "(475.2518, 10619.37)(476.25394, 3334.0898)" C20 H30 N10 O4 FindByFormula + 474.2451 8.820333 C20 H30 N14 O12 " [ C20 H30 N14 O12, mfg=74.96, tgt=, overall=74.96 ]" "(657.20917, 1750.585)(658.21204, 557.27)" C20 H30 N14 O12 FindByFormula - 658.2154 13.7085 C20 H30 N8 O " [ C20 H30 N8 O, mfg=76.43, tgt=, overall=76.43 ]" "(399.26086, 804.425)(400.2625, 242.28)(401.2755, 202.6)(421.24435, 2244.205)(422.24652, 680.96)(423.2514, 648.455)" C20 H30 N8 O FindByFormula + 398.2549 8.047667 C20 H31 N13 " [ C20 H31 N13, mfg=95.88, tgt=, overall=95.88 ]" "(452.27582, 32753.791)(453.2788, 7863.529)(454.28027, 303.985)" C20 H31 N13 FindByFormula - 453.2819 14.5414505 C20 H31 N13 - 14.541546 " [ C20 H31 N13, mfg=95.76, tgt=, overall=95.76 ]" "(452.2758, 29823.693)(453.2788, 7170.1606)(454.27966, 236.02832)" C20 H31 N13 - 14.541546 FindByFormula - 453.283 14.541546 C20 H31 N13 - 14.632766 " [ C20 H31 N13, mfg=92.22, tgt=, overall=92.22 ]" "(452.27563, 5604.413)(453.27878, 1410.1406)(454.2759, 380.625)" C20 H31 N13 - 14.632766 FindByFormula - 453.2828 14.632766 C20 H31 N9 O2 " [ C20 H31 N9 O2, mfg=82.49, tgt=, overall=82.49 ]" "(428.25372, 4330.825)(429.2562, 1093.66)" C20 H31 N9 O2 FindByFormula - 429.2632 7.2355003 C20 H31 N9 O3 " [ C20 H31 N9 O3, mfg=73.58, tgt=, overall=73.58 ]" "(446.26392, 2139.2034)(447.25723, 472.44333)" C20 H31 N9 O3 FindByFormula + 445.2582 7.388 C20 H31 N9 O3 - 7.18 " [ C20 H31 N9 O3, mfg=77.33, tgt=, overall=77.33 ]" "(444.24832, 2021.4313)(445.24808, 556.6337)" C20 H31 N9 O3 - 7.18 FindByFormula - 445.2558 7.18 C20 H31 N9 O3 - 7.1913004 " [ C20 H31 N9 O3, mfg=79.14, tgt=, overall=79.14 ]" "(444.2478, 1926.7347)(445.24814, 515.70703)" C20 H31 N9 O3 - 7.1913004 FindByFormula - 445.2561 7.1913004 C20 H31 N9 O3 - 7.226 " [ C20 H31 N9 O3, mfg=74.58, tgt=, overall=74.58 ]" "(444.2495, 1407.91)(445.25055, 404.105)" C20 H31 N9 O3 - 7.226 FindByFormula - 445.2577 7.226 C20 H31 N9 O3 - 7.7085 " [ C20 H31 N9 O3, mfg=66.24, tgt=, overall=66.24 ]" "(444.24994, 1322.9451)(445.24707, 416.88498)" C20 H31 N9 O3 - 7.7085 FindByFormula - 445.2566 7.7085 C20 H31 N9 O3 - 7.7136664 " [ C20 H31 N9 O3, mfg=68.81, tgt=, overall=68.81 ]" "(444.24857, 1492.1733)(445.24728, 479.71)" C20 H31 N9 O3 - 7.7136664 FindByFormula - 445.2562 7.7136664 C20 H31 N9 O3 + 7.7860003 " [ C20 H31 N9 O3, mfg=72.57, tgt=, overall=72.57 ]" "(446.2642, 2123.42)(447.254, 452.6)(468.2458, 1323.71)(469.2395, 757.26)" C20 H31 N9 O3 + 7.7860003 FindByFormula + 445.2542 7.7860003 C20 H32 N16 O2 " [ C20 H32 N16 O2, mfg=78.83, tgt=, overall=78.83 ]" "(529.29614, 2450.71)(530.297, 750.99)" C20 H32 N16 O2 FindByFormula + 528.2861 13.264 C20 H32 N16 O3 " [ C20 H32 N16 O3, mfg=79.66, tgt=, overall=79.66 ]" "(543.27765, 2626.67)(544.27966, 818.02)" C20 H32 N16 O3 FindByFormula - 544.2846 15.226999 C20 H32 N6 O2 " [ C20 H32 N6 O2, mfg=88.62, tgt=, overall=88.62 ]" "(389.2659, 3543.718)(390.27002, 905.28424)(391.26807, 301.27124)" C20 H32 N6 O2 FindByFormula + 388.2588 18.49521 C20 H32 N6 O3 + 10.894092 " [ C20 H32 N6 O3, mfg=81.48, tgt=, overall=40.74 ]" "(405.26083, 6468.8657)(406.26425, 1781.4329)" C20 H32 N6 O3 + 10.894092 FindByFormula + 404.2535 10.894092 C20 H32 N8 O " [ C20 H32 N8 O, mfg=80.40, tgt=, overall=80.40 ]" "(401.27844, 5444.9478)(402.2795, 1337.8)(439.2344, 259.19)(423.2587, 3372.5168)(424.2617, 2075.19)" C20 H32 N8 O FindByFormula + 400.2744 8.057501 C20 H33 N O3 " [ C20 H33 N O3, mfg=71.08, tgt=, overall=71.08 ]" "(336.25504, 2709.6865)(337.2528, 717.8567)" C20 H33 N O3 FindByFormula + 335.2464 9.214666 C20 H33 N13 O9 " [ C20 H33 N13 O9, mfg=73.61, tgt=, overall=73.61 ]" "(600.25903, 2827.4348)(601.2632, 910.26996)" C20 H33 N13 O9 FindByFormula + 599.2531 13.473 C20 H33 N15 O3 " [ C20 H33 N15 O3, mfg=95.63, tgt=, overall=95.63 ]" "(530.2813, 2487.8662)(531.2837, 732.3425)(532.2888, 180.98)" C20 H33 N15 O3 FindByFormula - 531.2855 15.726375 C20 H33 N15 O7 " [ C20 H33 N15 O7, mfg=94.85, tgt=, overall=94.85 ]" "(596.2756, 40966.24)(597.2799, 12725.59)(598.2807, 1665.185)(599.2844, 527.78)(634.2323, 3860.645)(635.23346, 673.18506)(618.25793, 17498.025)(619.2624, 6626.725)(620.2564, 2363.655)" C20 H33 N15 O7 FindByFormula + 595.2669 8.6744995 C20 H33 N5 O5 " [ C20 H33 N5 O5, mfg=59.13, tgt=, overall=59.13 ]" "(424.25595, 3462.06)(425.25204, 1150.0549)" C20 H33 N5 O5 FindByFormula + 423.2449 6.7130003 C20 H33 N9 O " [ C20 H33 N9 O, mfg=78.47, tgt=, overall=78.47 ]" "(414.2744, 1517.1085)(415.27863, 395.43576)" C20 H33 N9 O FindByFormula - 415.2815 1.787 C20 H34 N2 O4 S " [ C20 H34 N2 O4 S, mfg=88.92, tgt=, overall=88.92 ]" "(399.23196, 17973.227)(400.2308, 3835.7349)(401.23456, 1195.94)" C20 H34 N2 O4 S FindByFormula + 398.2198 9.643499 C20 H34 N2 O4 S + 9.619499 " [ C20 H34 N2 O4 S, mfg=92.55, tgt=, overall=92.55 ]" "(399.23178, 10514.958)(400.2317, 2382.455)(401.23087, 790.93744)" C20 H34 N2 O4 S + 9.619499 FindByFormula + 398.2243 9.619499 C20 H34 N24 O " [ C20 H34 N24 O, mfg=72.80, tgt=, overall=72.80 ]" "(625.3285, 1489.475)(626.3262, 516.745)" C20 H34 N24 O FindByFormula - 626.336 6.532 C20 H34 N4 O12 S4 " [ C20 H34 N4 O12 S4, mfg=88.12, tgt=, overall=88.12 ]" "(651.1125, 5835.1504)(652.1186, 1620.645)(653.1096, 1399.8201)(654.1102, 796.995)(689.0682, 1129.2933)(673.09467, 3503.38)(674.0964, 1212.91)" C20 H34 N4 O12 S4 FindByFormula + 650.0991 1.0075 C20 H34 N6 O2 " [ C20 H34 N6 O2, mfg=80.68, tgt=, overall=80.68 ]" "(389.26758, 4911.945)(390.27124, 1330.75)" C20 H34 N6 O2 FindByFormula - 390.2772 13.90725 C20 H34 N6 O3 " [ C20 H34 N6 O3, mfg=82.52, tgt=, overall=82.52 ]" "(405.2622, 3222.3787)(406.2648, 865.1657)(407.2769, 458.28)" C20 H34 N6 O3 FindByFormula - 406.2695 10.412285 C20 H34 N6 O3 - 9.761666 " [ C20 H34 N6 O3, mfg=81.89, tgt=, overall=81.89 ]" "(405.26245, 7380.9233)(406.2653, 1991.6469)" C20 H34 N6 O3 - 9.761666 FindByFormula - 406.2693 9.761666 C20 H34 N6 O3 - 9.7785 " [ C20 H34 N6 O3, mfg=80.47, tgt=, overall=80.47 ]" "(405.26245, 4497.85)(406.26483, 1265.45)" C20 H34 N6 O3 - 9.7785 FindByFormula - 406.2699 9.7785 C20 H34 N6 O3 - 9.7785 :1 " [ C20 H34 N6 O3, mfg=80.47, tgt=, overall=80.47 ]" "(405.26245, 4497.85)(406.26483, 1265.45)" C20 H34 N6 O3 - 9.7785 :1 FindByFormula - 406.2695 9.7785 C20 H34 N6 O3 - 9.7785 :2 " [ C20 H34 N6 O3, mfg=75.74, tgt=, overall=75.74 ]" "(405.26236, 4150.9297)(406.26483, 1300.155)" C20 H34 N6 O3 - 9.7785 :2 FindByFormula - 406.27 9.7785 C20 H34 N6 O3 - 9.828501 " [ C20 H34 N6 O3, mfg=79.49, tgt=, overall=79.49 ]" "(405.26166, 3404.3198)(406.26404, 980.48004)" C20 H34 N6 O3 - 9.828501 FindByFormula - 406.2681 9.828501 C20 H35 N13 O9 " [ C20 H35 N13 O9, mfg=95.46, tgt=, overall=95.46 ]" "(602.2744, 21439.62)(603.27826, 6303.2256)(604.2816, 1543.4995)" C20 H35 N13 O9 FindByFormula + 601.2679 14.765701 C20 H35 N13 O9 + 14.786866 " [ C20 H35 N13 O9, mfg=96.42, tgt=, overall=96.42 ]" "(301.63568, 1434.2085)(302.1364, 614.7548)(302.6343, 379.44772)(602.2742, 19401.223)(603.2781, 5583.7183)(604.2797, 937.9)" C20 H35 N13 O9 + 14.786866 FindByFormula + 601.2666 14.786866 C20 H35 N13 O9 + 14.797096 " [ C20 H35 N13 O9, mfg=95.66, tgt=, overall=95.66 ]" "(301.6365, 1553.9115)(302.13635, 672.78143)(302.63663, 396.19)(602.27435, 19806.121)(603.2784, 5802.2593)(604.28076, 1456.1782)(605.28015, 390.05753)" C20 H35 N13 O9 + 14.797096 FindByFormula + 601.2599 14.797096 C20 H35 N15 O4 " [ C20 H35 N15 O4, mfg=99.08, tgt=, overall=99.08 ]" "(548.29236, 5309.3037)(549.2949, 1489.3395)(550.29865, 175.1875)" C20 H35 N15 O4 FindByFormula - 549.2985 16.7845 C20 H35 N21 S " [ C20 H35 N21 S, mfg=96.97, tgt=, overall=96.97 ]" "(600.3042, 5915.92)(601.3064, 1777.545)(602.3034, 466.81998)" C20 H35 N21 S FindByFormula - 601.3102 1.7425 C20 H36 N6 O2 " [ C20 H36 N6 O2, mfg=95.14, tgt=, overall=95.14 ]" "(391.28278, 10495.044)(392.2863, 2867.5862)(393.2884, 733.69995)" C20 H36 N6 O2 FindByFormula - 392.2903 12.346875 C20 H36 N6 O2 - 12.332251 " [ C20 H36 N6 O2, mfg=96.11, tgt=, overall=96.11 ]" "(391.28323, 9339.977)(392.28662, 2515.4626)(393.28888, 537.11)" C20 H36 N6 O2 - 12.332251 FindByFormula - 392.2897 12.332251 C20 H36 N6 O2 - 12.358 " [ C20 H36 N6 O2, mfg=95.91, tgt=, overall=95.91 ]" "(391.28314, 9051.46)(392.28668, 2500.9878)(393.2884, 487.72)" C20 H36 N6 O2 - 12.358 FindByFormula - 392.2907 12.358 C20 H36 N6 O2 - 13.676499 " [ C20 H36 N6 O2, mfg=97.91, tgt=, overall=97.91 ]" "(783.56836, 1444.695)(784.5731, 756.475)(391.2825, 27494.852)(392.28586, 7366.8687)(393.28894, 652.29333)" C20 H36 N6 O2 - 13.676499 FindByFormula - 392.2884 13.676499 C20 H36 N6 O2 - 13.7033 " [ C20 H36 N6 O2, mfg=97.61, tgt=, overall=97.61 ]" "(783.5692, 1777.675)(784.57385, 927.115)(391.28305, 29961.043)(392.28616, 8176.172)(393.28864, 1359.4613)" C20 H36 N6 O2 - 13.7033 FindByFormula - 392.2897 13.7033 C20 H36 N6 O3 " [ C20 H36 N6 O3, mfg=96.95, tgt=, overall=96.95 ]" "(815.5654, 1194.63)(816.5676, 974.08997)(817.5687, 278.10498)(443.25476, 460.745)(407.27795, 14218.591)(408.28082, 3914.565)(409.28644, 512.10254)" C20 H36 N6 O3 FindByFormula - 408.2839 11.2577 C20 H36 N6 O3 - 10.35525 " [ C20 H36 N6 O3, mfg=97.86, tgt=, overall=97.86 ]" "(407.27805, 4016.3826)(408.28088, 1085.0851)(409.2845, 135.22)" C20 H36 N6 O3 - 10.35525 FindByFormula - 408.2854 10.35525 C20 H36 N6 O3 - 10.35525 :1 " [ C20 H36 N6 O3, mfg=82.07, tgt=, overall=82.07 ]" "(407.27805, 4029.1025)(408.28088, 1086.0625)" C20 H36 N6 O3 - 10.35525 :1 FindByFormula - 408.2846 10.35525 C20 H36 N8 O6 " [ C20 H36 N8 O6, mfg=92.13, tgt=, overall=92.13 ]" "(483.26944, 19208.873)(484.2733, 4051.79)(485.27438, 1054.7567)" C20 H36 N8 O6 FindByFormula - 484.2768 19.31 C20 H37 N O4 " [ C20 H37 N O4, mfg=93.33, tgt=, overall=93.33 ]" "(356.2787, 16904.56)(357.2807, 4032.625)(358.2863, 910.19)(378.2611, 1453.56)(379.2651, 388.13)(380.2527, 24.67)" C20 H37 N O4 FindByFormula + 355.2701 11.5675 C20 H37 N21 O " [ C20 H37 N21 O, mfg=79.33, tgt=, overall=79.33 ]" "(586.3426, 1790.8099)(587.3432, 579.7543)" C20 H37 N21 O FindByFormula - 587.3531 12.351999 C20 H37 N7 " [ C20 H37 N7, mfg=64.42, tgt=, overall=32.21 ]" "(376.31827, 526.94)(377.31693, 170.83667)" C20 H37 N7 FindByFormula + 375.3112 20.541 C20 H37 N7 O9 " [ C20 H37 N7 O9, mfg=92.55, tgt=, overall=92.55 ]" "(260.64154, 4268.7197)(261.13824, 986.0801)(261.6408, 256.77002)(520.2721, 8413.443)(521.2778, 2397.802)(522.2776, 491.99387)(542.2566, 1682.9834)(543.2598, 656.46796)(544.25, 482.79498)" C20 H37 N7 O9 FindByFormula + 519.2648 16.787882 C20 H38 N16 " [ C20 H38 N16, mfg=84.14, tgt=, overall=84.14 ]" "(503.35538, 11853.496)(504.3546, 3461.79)(505.3506, 853.80005)" C20 H38 N16 FindByFormula + 502.3481 16.683332 C20 H38 N6 O5 " [ C20 H38 N6 O5, mfg=74.14, tgt=, overall=74.14 ]" "(443.2995, 2324.33)(444.29865, 721.74)(465.27905, 2406.2651)(466.2836, 740.44495)" C20 H38 N6 O5 FindByFormula + 442.2901 0.7285 C20 H39 N S2 " [ C20 H39 N S2, mfg=94.13, tgt=, overall=94.13 ]" "(358.25952, 2130.1602)(359.26398, 493.78)(360.2594, 196.58499)(380.24045, 252.575)" C20 H39 N S2 FindByFormula + 357.2542 9.992 C20 H39 N15 O2 " [ C20 H39 N15 O2, mfg=88.63, tgt=, overall=88.63 ]" "(522.3487, 8795.978)(523.3491, 1964.7848)(524.3629, 345.78873)" C20 H39 N15 O2 FindByFormula + 521.3432 18.288946 C20 H39 N15 O2 + 18.69125 " [ C20 H39 N15 O2, mfg=88.68, tgt=, overall=88.68 ]" "(522.34827, 8575.037)(523.3488, 2247.8152)(524.36176, 561.0333)" C20 H39 N15 O2 + 18.69125 FindByFormula + 521.34 18.69125 C20 H39 N19 O7 " [ C20 H39 N19 O7, mfg=70.95, tgt=, overall=70.95 ]" "(658.3373, 3130.068)(659.3315, 846.24805)" C20 H39 N19 O7 FindByFormula + 657.3296 18.415401 C20 H39 N5 O5 " [ C20 H39 N5 O5, mfg=82.69, tgt=, overall=82.69 ]" "(428.28812, 2790.79)(429.2909, 715.9466)" C20 H39 N5 O5 FindByFormula - 429.295 6.677 C20 H39 N5 O5 - 6.6767697 " [ C20 H39 N5 O5, mfg=82.20, tgt=, overall=82.20 ]" "(428.28763, 2691.894)(429.29016, 699.41223)" C20 H39 N5 O5 - 6.6767697 FindByFormula - 429.2944 6.6767697 C20 H39 N9 O5 S " [ C20 H39 N9 O5 S, mfg=88.58, tgt=, overall=88.58 ]" "(516.2734, 3977.3884)(517.27325, 948.43335)(518.2713, 155.61667)" C20 H39 N9 O5 S FindByFormula - 517.2794 7.6338334 C20 H40 N2 O S2 " [ C20 H40 N2 O S2, mfg=88.90, tgt=, overall=88.90 ]" "(389.26566, 4511.712)(390.26965, 1187.5437)(391.26743, 376.27798)" C20 H40 N2 O S2 FindByFormula + 388.2574 18.457453 C20 H40 N2 O S2 + 18.66522 " [ C20 H40 N2 O S2, mfg=90.30, tgt=, overall=90.30 ]" "(389.26596, 2118.2966)(390.26938, 641.6311)(391.26587, 268.49127)" C20 H40 N2 O S2 + 18.66522 FindByFormula + 388.2582 18.66522 C20 H40 N6 O3 " [ C20 H40 N6 O3, mfg=72.26, tgt=, overall=72.26 ]" "(413.32315, 1632.3341)(414.32333, 477.8409)" C20 H40 N6 O3 FindByFormula + 412.3159 21.372301 C20 H40 N6 O4 " [ C20 H40 N6 O4, mfg=97.61, tgt=, overall=97.61 ]" "(429.31848, 8766.598)(430.32104, 2223.442)(431.32007, 453.11276)" C20 H40 N6 O4 FindByFormula + 428.3113 18.26245 C20 H40 N6 O4 + 18.301003 " [ C20 H40 N6 O4, mfg=96.82, tgt=, overall=96.82 ]" "(429.31863, 8740.854)(430.32104, 2250.9878)(431.31992, 474.61798)" C20 H40 N6 O4 + 18.301003 FindByFormula + 428.3124 18.301003 C20 H41 N5 S2 " [ C20 H41 N5 S2, mfg=83.26, tgt=, overall=41.63 ]" "(416.28824, 4742.724)(417.28766, 1481.106)(418.28564, 435.90497)(438.2691, 3339.6323)(439.2682, 831.235)(440.26514, 259.765)" C20 H41 N5 S2 FindByFormula + 415.2814 1.8188002 C20 H42 N2 O8 " [ C20 H42 N2 O8, mfg=95.26, tgt=, overall=95.26 ]" "(437.2872, 6733.295)(438.29047, 1840.6088)(439.29092, 444.98398)" C20 H42 N2 O8 FindByFormula - 438.2963 13.683499 C20 H43 N " [ C20 H43 N, mfg=80.17, tgt=, overall=80.17 ]" "(298.34662, 2617.1501)(299.34885, 460.92)" C20 H43 N FindByFormula + 297.3394 26.3541 C20 H43 N + 15.284333 " [ C20 H43 N, mfg=71.82, tgt=, overall=71.82 ]" "(298.34607, 1018.7166)(299.34976, 322.29666)" C20 H43 N + 15.284333 FindByFormula + 297.3367 15.284333 C20 H43 N + 25.297146 " [ C20 H43 N, mfg=83.71, tgt=, overall=83.71 ]" "(298.34662, 898.4972)(299.3498, 167.93999)" C20 H43 N + 25.297146 FindByFormula + 297.339 25.297146 C20 H43 N + 25.9612 " [ C20 H43 N, mfg=84.08, tgt=, overall=84.08 ]" "(298.347, 1986.752)(299.3499, 378.01602)" C20 H43 N + 25.9612 FindByFormula + 297.3401 25.9612 C20 H43 N O4 " [ C20 H43 N O4, mfg=74.50, tgt=, overall=74.50 ]" "(362.32568, 1976.1738)(363.32965, 584.61)" C20 H43 N O4 FindByFormula + 361.3188 11.758751 C20 H43 N11 O12 " [ C20 H43 N11 O12, mfg=90.55, tgt=, overall=90.55 ]" "(628.3009, 24684.453)(629.3048, 7336.92)(630.3113, 2124.955)(631.3101, 810.59)" C20 H43 N11 O12 FindByFormula - 629.3056 7.2065 C20 H43 N13 O3 " [ C20 H43 N13 O3, mfg=71.42, tgt=, overall=71.42 ]" "(514.3686, 1968.4128)(515.3686, 671.54004)" C20 H43 N13 O3 FindByFormula + 513.3596 15.67457 C20 H43 N13 O5 " [ C20 H43 N13 O5, mfg=95.52, tgt=, overall=95.52 ]" "(546.3569, 164246.05)(547.3603, 48431.89)(548.3632, 8848.0)" C20 H43 N13 O5 FindByFormula + 545.3467 17.2644 C20 H43 N21 O5 " [ C20 H43 N21 O5, mfg=70.24, tgt=, overall=70.24 ]" "(658.3838, 4777.36)(659.3842, 952.7584)" C20 H43 N21 O5 FindByFormula + 657.377 17.109463 C20 H43 N7 O2 " [ C20 H43 N7 O2, mfg=68.58, tgt=, overall=68.58 ]" "(414.35623, 3119.1267)(415.35925, 1072.1066)" C20 H43 N7 O2 FindByFormula + 413.3481 15.581 C20 H43 N7 O3 " [ C20 H43 N7 O3, mfg=65.93, tgt=, overall=65.93 ]" "(430.35202, 1237.2233)(431.35086, 391.95667)" C20 H43 N7 O3 FindByFormula + 429.3441 13.712001 C20 H43 N9 O10 " [ C20 H43 N9 O10, mfg=80.10, tgt=, overall=80.10 ]" "(570.3205, 28214.635)(571.3235, 6299.0757)(608.2726, 187.05)" C20 H43 N9 O10 FindByFormula + 569.3122 7.936143 C20 H44 N12 O4 S " [ C20 H44 N12 O4 S, mfg=96.23, tgt=, overall=96.23 ]" "(549.3405, 3197.1)(550.34283, 993.355)(551.3403, 362.99252)" C20 H44 N12 O4 S FindByFormula + 548.3347 16.4905 C20 H44 N20 S " [ C20 H44 N20 S, mfg=65.00, tgt=, overall=65.00 ]" "(597.3852, 84174.92)(598.3875, 14490.029)" C20 H44 N20 S FindByFormula + 596.3771 17.314428 C20 H44 N6 O " [ C20 H44 N6 O, mfg=83.23, tgt=, overall=83.23 ]" "(383.351, 3916.0898)(384.3543, 989.05994)" C20 H44 N6 O FindByFormula - 384.3578 24.628399 C20 H45 N7 O10 S3 " [ C20 H45 N7 O10 S3, mfg=90.32, tgt=, overall=90.32 ]" "(640.24524, 4309.666)(641.2477, 1262.2161)(642.2477, 924.5001)" C20 H45 N7 O10 S3 FindByFormula + 639.2332 17.592001 C20 H45 N7 O11 " [ C20 H45 N7 O11, mfg=82.91, tgt=, overall=82.91 ]" "(280.6695, 871.92)(281.1619, 70.76)(560.327, 6109.62)(561.3228, 1424.22)(562.3201, 317.05)(598.2788, 646.09)(599.2999, 293.72)(582.31, 3624.21)(583.3044, 1750.6)(584.3246, 511.12)" C20 H45 N7 O11 FindByFormula + 559.3206 1.151 C20 H46 N14 O S " [ C20 H46 N14 O S, mfg=87.43, tgt=, overall=87.43 ]" "(531.3779, 1202.6675)(532.3801, 320.76)(533.37463, 179.55249)" C20 H46 N14 O S FindByFormula + 530.3704 25.802502 C20 H46 N4 O18 " [ C20 H46 N4 O18, mfg=77.12, tgt=, overall=38.56 ]" "(316.1475, 5779.53)(316.6494, 1208.48)(631.2796, 12640.511)(632.2921, 5030.58)" C20 H46 N4 O18 FindByFormula + 630.2756 11.774 C20 H47 N15 O4 " [ C20 H47 N15 O4, mfg=77.12, tgt=, overall=77.12 ]" "(562.4005, 5068.228)(563.39996, 1327.646)" C20 H47 N15 O4 FindByFormula + 561.3945 18.0038 C20 H47 N9 O3 S " [ C20 H47 N9 O3 S, mfg=88.83, tgt=, overall=44.42 ]" "(494.3594, 7257.1436)(495.359, 2187.1733)(496.36002, 894.43335)(497.3679, 302.54)(516.34265, 3646.8335)(517.34845, 1064.17)(518.3451, 771.57574)" C20 H47 N9 O3 S FindByFormula + 493.3537 20.546877 C20 H48 N16 O S " [ C20 H48 N16 O S, mfg=94.16, tgt=, overall=94.16 ]" "(561.3975, 11014.6875)(562.40045, 3530.2947)(563.3967, 866.9985)(564.399, 263.3118)" C20 H48 N16 O S FindByFormula + 560.3919 18.013554 C20 H50 Cl N11 " [ C20 H50 Cl N11, mfg=72.81, tgt=, overall=72.81 ]" "(480.40073, 2405.6833)(481.40344, 1021.51666)(482.3984, 611.69)" C20 H50 Cl N11 FindByFormula + 479.3964 17.187334 C20 H51 N21 O4 " [ C20 H51 N21 O4, mfg=76.24, tgt=, overall=38.12 ]" "(650.45184, 5160.141)(651.4507, 1374.6967)" C20 H51 N21 O4 FindByFormula + 649.4446 17.801779 C20 H51 N9 O3 S5 " [ C20 H51 N9 O3 S5, mfg=78.43, tgt=, overall=78.43 ]" "(313.63745, 882.29004)(314.1375, 387.735)(626.275, 12784.63)(627.2779, 3927.2651)(628.2899, 4091.72)" C20 H51 N9 O3 S5 FindByFormula + 625.2657 14.087 C20 H52 N22 S " [ C20 H52 N22 S, mfg=94.12, tgt=, overall=94.12 ]" "(633.4543, 5239.6553)(634.4568, 1941.7053)(635.4541, 459.13052)(636.4549, 164.41501)" C20 H52 N22 S FindByFormula + 632.4466 20.803335 C21 H12 O7 " [ C21 H12 O7, mfg=77.67, tgt=, overall=77.67 ]" "(375.05194, 4386.875)(376.05603, 820.08997)" C21 H12 O7 FindByFormula - 376.0598 8.144 C21 H15 N11 O8 " [ C21 H15 N11 O8, mfg=75.63, tgt=, overall=75.63 ]" "(548.1044, 2536.2485)(549.1039, 691.51715)" C21 H15 N11 O8 FindByFormula - 549.1159 1.1728573 C21 H15 N11 O8 - 1.1725 " [ C21 H15 N11 O8, mfg=78.06, tgt=, overall=78.06 ]" "(548.1023, 1565.575)(549.10376, 417.485)" C21 H15 N11 O8 - 1.1725 FindByFormula - 549.1132 1.1725 C21 H2 Cl2 O12 S5 " [ C21 H2 Cl2 O12 S5, mfg=47.50, tgt=, overall=47.50 ]" "(676.7511, 1901.2781)(677.74744, 448.492)(678.7556, 630.86597)(698.7422, 273.63)" C21 H2 Cl2 O12 S5 FindByFormula + 675.744 27.465601 C21 H2 O26 S " [ C21 H2 O26 S, mfg=79.84, tgt=, overall=79.84 ]" "(1442.668, 385.205)(702.8634, 5681.1743)(703.8659, 704.28033)(704.86456, 411.02664)" C21 H2 O26 S FindByFormula + 701.8551 26.545889 C21 H2 O26 S + 26.533323 " [ C21 H2 O26 S, mfg=79.07, tgt=, overall=79.07 ]" "(1442.6742, 294.12)(702.8639, 5719.7114)(703.8668, 744.52136)(704.8669, 367.80112)" C21 H2 O26 S + 26.533323 FindByFormula + 701.8554 26.533323 C21 H24 N12 O2 " [ C21 H24 N12 O2, mfg=82.42, tgt=, overall=82.42 ]" "(475.20648, 2656.245)(476.20898, 684.31)" C21 H24 N12 O2 FindByFormula - 476.2145 12.879 C21 H24 N4 O13 " [ C21 H24 N4 O13, mfg=89.56, tgt=, overall=89.56 ]" "(541.1406, 5583.155)(542.14294, 1538.2427)(543.14954, 592.7625)" C21 H24 N4 O13 FindByFormula + 540.1334 20.488499 C21 H26 N14 O " [ C21 H26 N14 O, mfg=82.74, tgt=, overall=82.74 ]" "(489.2346, 1716.4178)(490.2362, 438.09775)" C21 H26 N14 O FindByFormula - 490.2425 1.1227778 C21 H26 N4 O14 " [ C21 H26 N4 O14, mfg=99.85, tgt=, overall=99.85 ]" "(559.1518, 390697.62)(560.1546, 97045.6)(561.15674, 20682.957)(562.1592, 3448.7136)(563.1555, 322.76)(597.10565, 416.03336)(581.13385, 2988.1318)(582.1347, 922.63715)(583.1391, 416.50546)" C21 H26 N4 O14 FindByFormula + 558.1456 1.2790002 C21 H26 O10 S " [ C21 H26 O10 S, mfg=94.17, tgt=, overall=94.17 ]" "(471.13193, 21441.15)(472.13538, 5628.842)(473.13654, 1333.5742)(474.1349, 391.37)(493.1141, 4644.898)(494.11725, 1423.9325)(495.1195, 277.59253)" C21 H26 O10 S FindByFormula + 470.1244 11.8195915 C21 H26 O15 S " [ C21 H26 O15 S, mfg=91.81, tgt=, overall=91.81 ]" "(549.0921, 6537.715)(550.0952, 1471.581)(551.0969, 324.13168)" C21 H26 O15 S FindByFormula - 550.1019 1.4391 C21 H26 O3 " [ C21 H26 O3, mfg=76.36, tgt=, overall=76.36 ]" "(325.18265, 3241.63)(326.18594, 713.1067)" C21 H26 O3 FindByFormula - 326.19 22.01 C21 H27 N19 O6 " [ C21 H27 N19 O6, mfg=74.70, tgt=, overall=74.70 ]" "(321.62668, 1960.65)(322.12704, 693.27)(642.2517, 1168.86)" C21 H27 N19 O6 FindByFormula + 641.2394 13.932667 C21 H27 N3 " [ C21 H27 N3, mfg=48.38, tgt=, overall=48.38 ]" "(643.4449, 1197.0067)(644.4483, 779.4233)(665.4289, 96.72)(322.22498, 431.68002)" C21 H27 N3 FindByFormula + 321.2206 1.1206666 C21 H28 N14 O6 " [ C21 H28 N14 O6, mfg=79.74, tgt=, overall=79.74 ]" "(573.2386, 3044.5413)(574.2422, 881.935)" C21 H28 N14 O6 FindByFormula + 572.2302 13.5905 C21 H28 N2 O6 " [ C21 H28 N2 O6, mfg=98.63, tgt=, overall=98.63 ]" "(403.18747, 3158.099)(404.19107, 679.8177)(405.19254, 107.43616)" C21 H28 N2 O6 FindByFormula - 404.1963 10.4078455 C21 H28 N4 O2 " [ C21 H28 N4 O2, mfg=82.66, tgt=, overall=82.66 ]" "(367.21478, 2784.72)(368.2179, 689.57996)" C21 H28 N4 O2 FindByFormula - 368.2215 10.585501 C21 H29 N O4 " [ C21 H29 N O4, mfg=98.87, tgt=, overall=98.87 ]" "(360.2173, 308284.06)(361.2206, 69989.3)(362.22617, 9380.996)" C21 H29 N O4 FindByFormula + 359.2113 8.53275 C21 H29 N O4 - 7.1555 " [ C21 H29 N O4, mfg=82.91, tgt=, overall=82.91 ]" "(358.20255, 8465.095)(359.20587, 1690.6951)" C21 H29 N O4 - 7.1555 FindByFormula - 359.2105 7.1555 C21 H29 N O4 - 7.2730002 " [ C21 H29 N O4, mfg=83.47, tgt=, overall=83.47 ]" "(358.20255, 5710.6333)(359.205, 1238.6366)" C21 H29 N O4 - 7.2730002 FindByFormula - 359.2092 7.2730002 C21 H29 N O4 - 8.017334 " [ C21 H29 N O4, mfg=73.85, tgt=, overall=73.85 ]" "(358.20154, 4039.0032)(359.2056, 642.9733)" C21 H29 N O4 - 8.017334 FindByFormula - 359.2099 8.017334 C21 H29 N O4 - 8.017334 :1 " [ C21 H29 N O4, mfg=73.85, tgt=, overall=73.85 ]" "(358.20154, 4039.0032)(359.2056, 642.9733)" C21 H29 N O4 - 8.017334 :1 FindByFormula - 359.2095 8.017334 C21 H29 N O4 - 8.0655 " [ C21 H29 N O4, mfg=74.36, tgt=, overall=74.36 ]" "(358.2011, 1186.01)(359.20538, 206.69)" C21 H29 N O4 - 8.0655 FindByFormula - 359.2086 8.0655 C21 H29 N17 O S " [ C21 H29 N17 O S, mfg=89.17, tgt=, overall=89.17 ]" "(566.23846, 1457.1434)(567.2405, 411.16)(568.2524, 117.003334)" C21 H29 N17 O S FindByFormula - 567.2462 15.107667 C21 H29 N9 O5 " [ C21 H29 N9 O5, mfg=93.30, tgt=, overall=93.30 ]" "(488.23654, 4400.0947)(489.24042, 1241.2)(490.2342, 242.81)(526.19507, 484.93)" C21 H29 N9 O5 FindByFormula + 487.2273 1.23 C21 H30 N8 O8 S4 " [ C21 H30 N8 O8 S4, mfg=92.24, tgt=, overall=92.24 ]" "(651.114, 9792.255)(652.1162, 2506.91)(653.1122, 2360.34)(689.06824, 1446.87)" C21 H30 N8 O8 S4 FindByFormula + 650.1047 0.98749995 C21 H31 N O4 " [ C21 H31 N O4, mfg=93.67, tgt=, overall=93.67 ]" "(362.23267, 42518.312)(363.23428, 10232.79)(364.2329, 1778.95)" C21 H31 N O4 FindByFormula + 361.2248 8.13 C21 H31 N O4 + 8.068667 " [ C21 H31 N O4, mfg=93.44, tgt=, overall=93.44 ]" "(362.23282, 35202.03)(363.23447, 8129.1265)(364.2318, 1387.845)" C21 H31 N O4 + 8.068667 FindByFormula + 361.2237 8.068667 C21 H31 N9 O3 " [ C21 H31 N9 O3, mfg=66.70, tgt=, overall=66.70 ]" "(456.24945, 876.45)(457.24908, 300.18)" C21 H31 N9 O3 FindByFormula - 457.2573 7.207 C21 H32 N16 O11 " [ C21 H32 N16 O11, mfg=66.44, tgt=, overall=66.44 ]" "(685.2494, 3576.5999)(686.24976, 730.02997)" C21 H32 N16 O11 FindByFormula + 684.2443 16.4445 C21 H32 N2 O2 S2 " [ C21 H32 N2 O2 S2, mfg=92.53, tgt=, overall=92.53 ]" "(839.3751, 482.21)(409.19656, 10167.297)(410.20044, 2570.7734)(411.197, 994.3566)(431.1781, 595.49)" C21 H32 N2 O2 S2 FindByFormula + 408.1897 9.385 C21 H32 N4 O3 " [ C21 H32 N4 O3, mfg=76.10, tgt=, overall=76.10 ]" "(387.24203, 2212.09)(388.24484, 538.18335)" C21 H32 N4 O3 FindByFormula - 388.2492 8.390667 C21 H33 N11 O " [ C21 H33 N11 O, mfg=74.61, tgt=, overall=74.61 ]" "(456.29395, 4169.43)(457.293, 1177.105)" C21 H33 N11 O FindByFormula + 455.2881 2.0279999 C21 H33 N25 " [ C21 H33 N25, mfg=77.80, tgt=, overall=77.80 ]" "(634.3273, 1468.1699)(635.33105, 503.904)" C21 H33 N25 FindByFormula - 635.3354 15.311399 C21 H33 N3 O3 " [ C21 H33 N3 O3, mfg=79.19, tgt=, overall=79.19 ]" "(376.25842, 3380.8025)(377.26123, 907.38)" C21 H33 N3 O3 FindByFormula + 375.2513 6.464 C21 H33 N3 O3 + 6.5476665 " [ C21 H33 N3 O3, mfg=80.90, tgt=, overall=80.90 ]" "(376.2585, 3064.577)(377.261, 737.6067)" C21 H33 N3 O3 + 6.5476665 FindByFormula + 375.2517 6.5476665 C21 H34 N18 O5 " [ C21 H34 N18 O5, mfg=75.35, tgt=, overall=75.35 ]" "(617.2876, 4620.54)(618.2929, 1411.455)" C21 H34 N18 O5 FindByFormula - 618.2977 6.4855 C21 H34 N8 O " [ C21 H34 N8 O, mfg=96.74, tgt=, overall=96.74 ]" "(413.2793, 8320.08)(414.2824, 2114.7449)(415.28192, 258.955)" C21 H34 N8 O FindByFormula - 414.2863 8.302 C21 H34 N8 O2 " [ C21 H34 N8 O2, mfg=77.55, tgt=, overall=77.55 ]" "(429.2739, 1979.1)(430.2775, 598.61)" C21 H34 N8 O2 FindByFormula - 430.28 8.076 C21 H35 N11 " [ C21 H35 N11, mfg=96.45, tgt=, overall=96.45 ]" "(442.31546, 11889.583)(443.31744, 3135.8628)(444.3171, 694.19)" C21 H35 N11 FindByFormula + 441.3042 13.366499 C21 H35 N13 O S " [ C21 H35 N13 O S, mfg=94.53, tgt=, overall=94.53 ]" "(516.2743, 2044.915)(517.2765, 682.33496)(518.2737, 221.895)" C21 H35 N13 O S FindByFormula - 517.2818 7.858 C21 H35 N17 O5 " [ C21 H35 N17 O5, mfg=97.29, tgt=, overall=97.29 ]" "(606.3072, 19743.46)(607.3101, 6199.8105)(608.31146, 1576.8983)(609.3242, 169.77)(628.2896, 10541.521)(629.29456, 1987.77)(630.2941, 617.36664)" C21 H35 N17 O5 FindByFormula + 605.3011 15.385592 C21 H35 N25 " [ C21 H35 N25, mfg=75.81, tgt=, overall=75.81 ]" "(636.34344, 1070.0333)(637.34784, 366.19336)" C21 H35 N25 FindByFormula - 637.3475 17.232668 C21 H35 N9 O " [ C21 H35 N9 O, mfg=92.08, tgt=, overall=92.08 ]" "(215.65985, 2455.1)(216.1624, 485.055)(430.30524, 9971.02)(431.3062, 2702.71)(432.30524, 508.78003)(452.2882, 5773.67)(453.2822, 2755.13)" C21 H35 N9 O FindByFormula + 429.3019 6.687 C21 H36 " [ C21 H36, mfg=52.13, tgt=, overall=52.13 ]" "(289.2918, 6843.1978)(290.29105, 1056.7557)" C21 H36 FindByFormula + 288.2845 11.313286 C21 H36 N14 " [ C21 H36 N14, mfg=83.74, tgt=, overall=83.74 ]" "(483.3173, 2365.0867)(484.31998, 667.24)" C21 H36 N14 FindByFormula - 484.3255 13.292666 C21 H36 N14 O " [ C21 H36 N14 O, mfg=86.04, tgt=, overall=86.04 ]" "(501.3281, 3539.0676)(502.3275, 1170.86)(503.329, 366.25662)(523.3099, 10077.827)(524.3124, 3068.7832)(525.30005, 843.995)" C21 H36 N14 O FindByFormula + 500.3205 12.7225 C21 H37 N " [ C21 H37 N, mfg=99.55, tgt=, overall=99.55 ]" "(304.2998, 16683.135)(305.30298, 4133.591)(306.30594, 522.8418)" C21 H37 N FindByFormula + 303.2917 13.423282 C21 H37 N + 13.424911 " [ C21 H37 N, mfg=99.56, tgt=, overall=99.56 ]" "(304.29987, 16963.127)(305.30298, 4202.7246)(306.30606, 527.2636)" C21 H37 N + 13.424911 FindByFormula + 303.2927 13.424911 C21 H37 N + 26.5345 " [ C21 H37 N, mfg=81.06, tgt=, overall=81.06 ]" "(304.30008, 2432.8416)(305.30386, 677.7133)" C21 H37 N + 26.5345 FindByFormula + 303.2913 26.5345 C21 H37 N O4 " [ C21 H37 N O4, mfg=95.39, tgt=, overall=95.39 ]" "(368.27878, 13409.0)(369.28226, 3319.6558)(370.28113, 670.94275)(390.258, 1173.905)(391.2566, 799.25)" C21 H37 N O4 FindByFormula + 367.2716 11.552307 C21 H37 N S " [ C21 H37 N S, mfg=89.70, tgt=, overall=89.70 ]" "(336.27167, 3678.18)(337.27368, 1084.1075)(338.26926, 335.03003)" C21 H37 N S FindByFormula + 335.2655 15.604 C21 H37 N15 O2 S2 " [ C21 H37 N15 O2 S2, mfg=88.41, tgt=, overall=88.41 ]" "(594.2611, 13517.56)(595.2633, 4490.0146)(596.2693, 2332.14)(597.2733, 414.49)" C21 H37 N15 O2 S2 FindByFormula - 595.2736 8.656 C21 H38 N2 O6 " [ C21 H38 N2 O6, mfg=95.58, tgt=, overall=95.58 ]" "(829.55396, 28291.42)(830.5584, 17646.205)(831.55914, 5649.956)(832.56366, 2028.4717)(867.5118, 912.99854)(851.53546, 11422.048)(852.5418, 6196.0234)(853.5422, 2456.4387)(854.54755, 649.06006)(415.27582, 8852.975)(416.2776, 2957.779)(417.26758, 2011.584)(418.2613, 323.98398)(437.26178, 18312.139)(438.26627, 5090.9707)(439.26904, 981.379)" C21 H38 N2 O6 FindByFormula + 414.2734 13.7354 C21 H38 N6 O4 " [ C21 H38 N6 O4, mfg=98.63, tgt=, overall=98.63 ]" "(437.288, 4473.575)(438.29123, 1242.2524)(439.29483, 193.59666)" C21 H38 N6 O4 FindByFormula - 438.2943 13.566501 C21 H38 N6 O4 - 13.568251 " [ C21 H38 N6 O4, mfg=80.11, tgt=, overall=80.11 ]" "(437.2877, 6282.5854)(438.2908, 1822.835)" C21 H38 N6 O4 - 13.568251 FindByFormula - 438.2927 13.568251 C21 H38 N6 O5 " [ C21 H38 N6 O5, mfg=77.97, tgt=, overall=77.97 ]" "(453.28232, 9103.505)(454.28564, 2713.0535)" C21 H38 N6 O5 FindByFormula - 454.2891 11.290166 C21 H38 N8 O7 " [ C21 H38 N8 O7, mfg=78.19, tgt=, overall=78.19 ]" "(513.27905, 1907.94)(514.2819, 580.89667)" C21 H38 N8 O7 FindByFormula - 514.2851 9.645666 C21 H39 N O11 " [ C21 H39 N O11, mfg=96.28, tgt=, overall=96.28 ]" "(482.25977, 12816.564)(483.26288, 3460.6748)(484.2624, 861.19)" C21 H39 N O11 FindByFormula + 481.253 7.0205 C21 H39 N17 " [ C21 H39 N17, mfg=90.63, tgt=, overall=90.63 ]" "(530.3658, 3686.7441)(531.3659, 1077.0907)(532.3681, 327.2493)" C21 H39 N17 FindByFormula + 529.3581 13.274142 C21 H39 N21 S " [ C21 H39 N21 S, mfg=96.52, tgt=, overall=96.52 ]" "(616.3351, 34456.87)(617.3366, 10924.54)(618.3378, 2381.6)(619.34015, 379.15497)" C21 H39 N21 S FindByFormula - 617.3424 7.6155457 C21 H39 N3 O " [ C21 H39 N3 O, mfg=80.35, tgt=, overall=80.35 ]" "(350.31735, 5138.3896)(351.31964, 1432.41)(372.29865, 1619.1699)(373.29596, 351.09)" C21 H39 N3 O FindByFormula + 349.3082 10.964001 C21 H39 N5 O10 " [ C21 H39 N5 O10, mfg=98.45, tgt=, overall=98.45 ]" "(520.2622, 2462.8113)(521.2647, 672.8485)(522.2691, 132.06999)" C21 H39 N5 O10 FindByFormula - 521.2693 14.506616 C21 H39 N7 O2 " [ C21 H39 N7 O2, mfg=82.87, tgt=, overall=82.87 ]" "(422.3238, 10153.573)(423.32666, 2834.9314)" C21 H39 N7 O2 FindByFormula + 421.3178 14.850037 C21 H39 N7 O2 + 14.851628 " [ C21 H39 N7 O2, mfg=82.64, tgt=, overall=82.64 ]" "(422.32385, 9870.464)(423.32663, 2778.451)" C21 H39 N7 O2 + 14.851628 FindByFormula + 421.3168 14.851628 C21 H39 N7 O5 " [ C21 H39 N7 O5, mfg=73.89, tgt=, overall=73.89 ]" "(470.308, 3128.43)(471.3106, 1037.4039)" C21 H39 N7 O5 FindByFormula + 469.3019 15.0522 C21 H39 N9 O3 " [ C21 H39 N9 O3, mfg=93.72, tgt=, overall=93.72 ]" "(969.6027, 179.75)(466.3242, 41097.5)(467.3287, 10634.179)(468.3373, 1656.2866)(469.3366, 702.72)(504.27554, 2015.7887)(505.28076, 645.5372)(506.28574, 505.47836)(488.30905, 30116.688)(489.31226, 8233.567)(490.31967, 3623.975)(491.32254, 1156.8628)" C21 H39 N9 O3 FindByFormula + 465.319 17.613235 C21 H39 N9 O4 " [ C21 H39 N9 O4, mfg=98.53, tgt=, overall=98.53 ]" "(480.30524, 3559.858)(481.3071, 966.5776)(482.31235, 192.5425)" C21 H39 N9 O4 FindByFormula - 481.3135 14.759117 C21 H40 N16 " [ C21 H40 N16, mfg=92.92, tgt=, overall=92.92 ]" "(517.37054, 11159.482)(518.3709, 3579.945)(519.36926, 626.21)(520.375, 163.69)" C21 H40 N16 FindByFormula + 516.3628 18.137363 C21 H40 N2 O3 S " [ C21 H40 N2 O3 S, mfg=88.21, tgt=, overall=88.21 ]" "(401.2847, 5073.697)(402.28592, 1472.5533)(403.28265, 545.68)(423.26126, 1107.235)" C21 H40 N2 O3 S FindByFormula + 400.2779 6.875 C21 H41 N O5 " [ C21 H41 N O5, mfg=98.22, tgt=, overall=98.22 ]" "(388.3053, 24520.18)(389.30826, 6141.5894)(390.31036, 1209.2391)(426.25885, 767.0872)(427.25702, 272.548)(410.28183, 6970.2573)(411.28156, 1596.0044)" C21 H41 N O5 FindByFormula + 387.2977 11.493084 C21 H41 N O5 + 11.496962 " [ C21 H41 N O5, mfg=97.70, tgt=, overall=97.70 ]" "(388.3053, 23199.787)(389.30804, 5821.4927)(390.30994, 1137.5116)(410.28195, 6562.012)(411.282, 1410.2057)" C21 H41 N O5 + 11.496962 FindByFormula + 387.2973 11.496962 C21 H41 N O6 " [ C21 H41 N O6, mfg=99.62, tgt=, overall=99.62 ]" "(404.3005, 39052.465)(405.30377, 9432.495)(406.3067, 1262.91)(426.2812, 1242.03)(427.2828, 207.42)" C21 H41 N O6 FindByFormula + 403.2929 9.268 C21 H41 N O6 + 9.268 " [ C21 H41 N O6, mfg=99.05, tgt=, overall=99.05 ]" "(404.3004, 38149.07)(405.30356, 9274.109)(406.3056, 2048.25)(407.307, 223.54)(426.2812, 2419.53)(427.2851, 763.4)" C21 H41 N O6 + 9.268 FindByFormula + 403.2929 9.268 C21 H41 N3 O4 S2 " [ C21 H41 N3 O4 S2, mfg=87.19, tgt=, overall=87.19 ]" "(464.26114, 1907.489)(465.26044, 515.15)(466.2621, 200.21)(486.23715, 202.045)" C21 H41 N3 O4 S2 FindByFormula + 463.253 3.6083999 C21 H42 N6 O5 " [ C21 H42 N6 O5, mfg=92.78, tgt=, overall=92.78 ]" "(459.32812, 8582.014)(460.33188, 2487.166)(461.32562, 245.66)" C21 H42 N6 O5 FindByFormula + 458.3219 16.788 C21 H42 N8 O4 S " [ C21 H42 N8 O4 S, mfg=86.50, tgt=, overall=43.25 ]" "(541.267, 12796.211)(542.2756, 3592.3967)(543.2652, 1826.7168)" C21 H42 N8 O4 S FindByFormula + 502.3037 7.823 C21 H43 N O2 " [ C21 H43 N O2, mfg=82.98, tgt=, overall=82.98 ]" "(342.33737, 3999.3066)(343.34055, 999.34)" C21 H43 N O2 FindByFormula + 341.3314 14.749333 C21 H43 N O2 + 14.721 " [ C21 H43 N O2, mfg=99.31, tgt=, overall=99.31 ]" "(342.33707, 4475.0366)(343.34058, 1049.9733)(344.3423, 140.56334)" C21 H43 N O2 + 14.721 FindByFormula + 341.3282 14.721 C21 H43 N O2 + 14.721 :1 " [ C21 H43 N O2, mfg=99.31, tgt=, overall=99.31 ]" "(342.33707, 4475.0366)(343.34058, 1049.9733)(344.3423, 140.56334)" C21 H43 N O2 + 14.721 :1 FindByFormula + 341.3289 14.721 C21 H43 N O2 + 15.539166 " [ C21 H43 N O2, mfg=99.75, tgt=, overall=99.75 ]" "(342.33658, 14230.19)(343.33975, 3448.8535)(344.34415, 467.69833)" C21 H43 N O2 + 15.539166 FindByFormula + 341.3289 15.539166 C21 H43 N O2 + 15.543167 " [ C21 H43 N O2, mfg=98.84, tgt=, overall=98.84 ]" "(342.33716, 14949.175)(343.34, 3659.6946)(344.34457, 514.3933)" C21 H43 N O2 + 15.543167 FindByFormula + 341.3294 15.543167 C21 H43 N O2 + 15.5455 " [ C21 H43 N O2, mfg=84.46, tgt=, overall=84.46 ]" "(342.33704, 12761.824)(343.34036, 3093.5137)" C21 H43 N O2 + 15.5455 FindByFormula + 341.3318 15.5455 C21 H43 N5 O S " [ C21 H43 N5 O S, mfg=74.45, tgt=, overall=74.45 ]" "(414.3265, 2372.12)(415.32236, 752.355)(416.3349, 177.28)(436.3085, 714.60504)" C21 H43 N5 O S FindByFormula + 413.316 11.483 C21 H43 N7 O3 " [ C21 H43 N7 O3, mfg=95.94, tgt=, overall=95.94 ]" "(442.3496, 24818.443)(443.35333, 6763.9805)(444.358, 1527.875)(445.3558, 447.79)(480.305, 376.58)(464.33475, 3104.4668)(465.33847, 1076.9532)(466.34167, 313.4733)" C21 H43 N7 O3 FindByFormula + 441.3413 13.487099 C21 H43 N7 O3 + 13.4485 " [ C21 H43 N7 O3, mfg=93.01, tgt=, overall=93.01 ]" "(442.34955, 31686.2)(443.35382, 8767.7705)(444.35925, 2079.59)(464.32928, 3693.2651)" C21 H43 N7 O3 + 13.4485 FindByFormula + 441.3449 13.4485 C21 H43 N7 O3 + 13.513 " [ C21 H43 N7 O3, mfg=95.21, tgt=, overall=95.21 ]" "(442.3502, 24645.889)(443.35385, 6771.7954)(444.35873, 1573.11)(445.3681, 153.06)(464.33432, 3290.992)(465.33878, 1473.9366)" C21 H43 N7 O3 + 13.513 FindByFormula + 441.3455 13.513 C21 H43 N9 O13 " [ C21 H43 N9 O13, mfg=73.54, tgt=, overall=73.54 ]" "(630.305, 9140.794)(631.3077, 2967.33)" C21 H43 N9 O13 FindByFormula + 629.297 17.265179 C21 H44 N10 O4 S " [ C21 H44 N10 O4 S, mfg=97.37, tgt=, overall=97.37 ]" "(267.17023, 2955.0095)(267.6711, 815.5993)(268.17087, 216.93085)(533.3286, 4209.024)(534.33026, 1310.0936)(535.3296, 406.87167)(555.31036, 2387.5112)(556.3116, 797.2941)(557.3121, 237.49998)" C21 H44 N10 O4 S FindByFormula + 532.3227 2.3243573 C21 H44 N10 O4 S + 2.336875 " [ C21 H44 N10 O4 S, mfg=97.81, tgt=, overall=97.81 ]" "(267.17065, 2994.7256)(267.67212, 837.3837)(268.17215, 227.8154)(533.329, 4287.5312)(534.33044, 1295.0106)(535.3313, 343.73935)(555.31104, 2414.631)(556.3302, 166.17)" C21 H44 N10 O4 S + 2.336875 FindByFormula + 532.3251 2.336875 C21 H44 N20 O3 S " [ C21 H44 N20 O3 S, mfg=90.73, tgt=, overall=90.73 ]" "(1335.6954, 488.19003)(329.1916, 1452.3)(329.7, 387.05)(657.3713, 37438.535)(658.37213, 12680.882)(659.3668, 2552.4536)(660.3625, 1458.47)(679.36426, 14647.51)(680.3661, 5936.0303)" C21 H44 N20 O3 S FindByFormula + 656.3605 8.150001 C21 H45 N " [ C21 H45 N, mfg=79.96, tgt=, overall=79.96 ]" "(312.36237, 1346.394)(313.36514, 385.80002)" C21 H45 N FindByFormula + 311.3557 17.827002 C21 H45 N + 17.128721 " [ C21 H45 N, mfg=99.61, tgt=, overall=99.61 ]" "(312.36267, 7477.1553)(313.366, 1801.625)(314.3669, 179.40999)" C21 H45 N + 17.128721 FindByFormula + 311.3555 17.128721 C21 H45 N + 17.14367 " [ C21 H45 N, mfg=99.24, tgt=, overall=99.24 ]" "(312.36243, 7730.3105)(313.36578, 1837.8683)(314.36783, 313.11212)" C21 H45 N + 17.14367 FindByFormula + 311.3553 17.14367 C21 H45 N + 17.7042 " [ C21 H45 N, mfg=85.76, tgt=, overall=85.76 ]" "(312.3625, 1405.554)(313.36697, 383.772)(314.3658, 121.6)" C21 H45 N + 17.7042 FindByFormula + 311.3564 17.7042 C21 H45 N + 18.269001 " [ C21 H45 N, mfg=75.56, tgt=, overall=75.56 ]" "(312.3625, 1263.6)(313.3656, 398.305)" C21 H45 N + 18.269001 FindByFormula + 311.3559 18.269001 C21 H45 N + 25.494 " [ C21 H45 N, mfg=82.30, tgt=, overall=82.30 ]" "(312.36252, 2597.576)(313.36572, 714.2801)" C21 H45 N + 25.494 FindByFormula + 311.356 25.494 C21 H45 N + 26.4702 " [ C21 H45 N, mfg=83.36, tgt=, overall=83.36 ]" "(312.36276, 3856.1948)(313.3659, 1023.2081)" C21 H45 N + 26.4702 FindByFormula + 311.3565 26.4702 C21 H45 N O2 " [ C21 H45 N O2, mfg=64.89, tgt=, overall=64.89 ]" "(344.35248, 1122.518)(345.35236, 362.98398)" C21 H45 N O2 FindByFormula + 343.3444 14.0156 C21 H45 N3 O15 " [ C21 H45 N3 O15, mfg=97.08, tgt=, overall=97.08 ]" "(1159.5752, 296.55)(580.29193, 39271.36)(581.2954, 11340.574)(582.2961, 2628.5823)(583.3071, 884.48)(618.2477, 674.3731)(602.2743, 20036.186)(603.2782, 5648.179)(604.2809, 1350.315)(605.2725, 446.74)" C21 H45 N3 O15 FindByFormula + 579.2859 14.790656 C21 H46 N4 O13 S " [ C21 H46 N4 O13 S, mfg=88.41, tgt=, overall=88.41 ]" "(595.28314, 4351.0273)(596.28436, 1352.6725)(617.2661, 5048.9824)(618.2689, 1389.345)(619.27374, 701.6667)" C21 H46 N4 O13 S FindByFormula + 594.2742 16.54725 C21 H47 N11 O7 " [ C21 H47 N11 O7, mfg=93.29, tgt=, overall=93.29 ]" "(566.37384, 9265.214)(567.3746, 2139.877)(568.3747, 478.8421)" C21 H47 N11 O7 FindByFormula + 565.3669 18.204773 C21 H47 N11 O7 + 18.198 " [ C21 H47 N11 O7, mfg=96.53, tgt=, overall=96.53 ]" "(566.3742, 6343.9463)(567.37537, 1703.7521)(568.3762, 181.52)" C21 H47 N11 O7 + 18.198 FindByFormula + 565.3684 18.198 C21 H47 N11 O7 + 18.5555 " [ C21 H47 N11 O7, mfg=97.39, tgt=, overall=97.39 ]" "(566.37354, 11645.02)(567.3749, 3222.8)(568.3735, 531.2)" C21 H47 N11 O7 + 18.5555 FindByFormula + 565.366 18.5555 C21 H47 N11 O7 + 18.582064 " [ C21 H47 N11 O7, mfg=97.14, tgt=, overall=97.14 ]" "(566.37396, 8489.327)(567.3748, 2435.4968)(568.3774, 355.2875)" C21 H47 N11 O7 + 18.582064 FindByFormula + 565.367 18.582064 C21 H47 N3 O21 S " [ C21 H47 N3 O21 S, mfg=93.50, tgt=, overall=93.50 ]" "(710.249, 5507.4883)(711.25275, 1705.3125)(712.25195, 739.0437)(713.25085, 321.1543)(748.208, 426.52762)(732.2351, 1005.7744)(733.2379, 438.68314)(734.2492, 492.89)" C21 H47 N3 O21 S FindByFormula + 709.2409 14.774667 C21 H47 N5 O11 S " [ C21 H47 N5 O11 S, mfg=88.23, tgt=, overall=88.23 ]" "(578.30615, 3180.0352)(579.31177, 926.45)(580.3034, 426.57)(600.28827, 2768.4849)(601.2919, 912.34503)" C21 H47 N5 O11 S FindByFormula + 577.298 2.2210002 C21 H47 N7 O2 " [ C21 H47 N7 O2, mfg=62.76, tgt=, overall=62.76 ]" "(430.38574, 1210.24)(431.3896, 512.2886)(452.3648, 280.85)" C21 H47 N7 O2 FindByFormula + 429.381 16.613428 C21 H47 N9 O14 " [ C21 H47 N9 O14, mfg=73.44, tgt=, overall=73.44 ]" "(325.67017, 624.965)(326.17126, 128.355)(650.3281, 783.83496)(651.3327, 513.92)(672.3247, 699.08)(673.3117, 486.6)" C21 H47 N9 O14 FindByFormula + 649.324 2.9045 C21 H48 N10 O5 S " [ C21 H48 N10 O5 S, mfg=64.83, tgt=, overall=64.83 ]" "(553.3611, 94438.82)(554.36316, 15672.151)" C21 H48 N10 O5 S FindByFormula + 552.3549 17.327267 C21 H48 N12 S2 " [ C21 H48 N12 S2, mfg=95.45, tgt=, overall=95.45 ]" "(533.3645, 4118.9805)(534.3666, 1325.435)(535.36334, 600.14746)" C21 H48 N12 S2 FindByFormula + 532.3549 15.247 C21 H48 N14 S " [ C21 H48 N14 S, mfg=73.70, tgt=, overall=36.85 ]" "(529.40125, 3872.4033)(530.3972, 1366.58)(531.3881, 481.46667)" C21 H48 N14 S FindByFormula + 528.3946 26.778666 C21 H5 N O22 S3 " [ C21 H5 N O22 S3, mfg=63.97, tgt=, overall=63.97 ]" "(1460.6888, 2961.7551)(1461.6913, 1222.2133)(1462.6958, 432.23398)(1463.6816, 357.865)(719.85944, 1303.0381)(720.8662, 665.698)(757.8139, 5715.5083)(758.81177, 1134.9567)(759.80853, 949.70197)(760.8047, 255.64331)(741.8386, 42249.715)(742.8405, 8278.071)(743.84283, 1443.13)(744.8415, 491.71)" C21 H5 N O22 S3 FindByFormula + 718.8485 6.6865005 C21 H5 N O22 S3 + 6.7512 " [ C21 H5 N O22 S3, mfg=63.59, tgt=, overall=63.59 ]" "(1460.6898, 3205.35)(1461.696, 1172.3724)(1462.6812, 527.995)(719.86053, 1003.11)(720.8467, 388.755)(757.81335, 7174.805)(758.811, 1295.565)(759.81537, 744.7425)(760.8157, 316.59998)(741.83875, 40204.555)(742.84143, 7870.032)(743.83997, 1335.6641)(744.8374, 577.18)" C21 H5 N O22 S3 + 6.7512 FindByFormula + 718.8487 6.7512 C21 H50 N14 O10 " [ C21 H50 N14 O10, mfg=76.15, tgt=, overall=38.08 ]" "(330.1993, 2777.11)(330.6987, 752.3566)" C21 H50 N14 O10 FindByFormula + 658.3838 6.78 C21 H50 N24 O2 S " [ C21 H50 N24 O2 S, mfg=94.76, tgt=, overall=94.76 ]" "(701.41986, 4778.818)(702.4219, 1822.2942)(703.4193, 592.86847)" C21 H50 N24 O2 S FindByFormula - 702.4317 6.915438 C21 H51 N13 O7 " [ C21 H51 N13 O7, mfg=80.32, tgt=, overall=80.32 ]" "(596.3966, 2010.6299)(597.39886, 577.635)" C21 H51 N13 O7 FindByFormula - 597.4029 14.459499 C21 H54 N18 O8 " [ C21 H54 N18 O8, mfg=73.86, tgt=, overall=73.86 ]" "(687.44556, 677.585)(688.4478, 155.22)" C21 H54 N18 O8 FindByFormula + 686.4377 25.7215 C21 H9 Cl2 N3 O18 S " [ C21 H9 Cl2 N3 O18 S, mfg=59.03, tgt=, overall=59.03 ]" "(693.9017, 4368.995)(694.9125, 1988.975)(695.90485, 3401.9102)" C21 H9 Cl2 N3 O18 S FindByFormula + 692.8964 9.717501 C21 H9 N3 O24 " [ C21 H9 N3 O24, mfg=93.48, tgt=, overall=93.48 ]" "(687.96326, 8317.135)(688.96564, 2004.805)(689.9658, 548.03)" C21 H9 N3 O24 FindByFormula + 686.9584 6.6935 C21 H9 N3 O24 + 6.5686665 " [ C21 H9 N3 O24, mfg=94.60, tgt=, overall=94.60 ]" "(687.96436, 9802.79)(688.9661, 2306.51)(689.96484, 668.8)" C21 H9 N3 O24 + 6.5686665 FindByFormula + 686.9559 6.5686665 C21 H9 N3 O24 + 6.7098 " [ C21 H9 N3 O24, mfg=95.41, tgt=, overall=95.41 ]" "(687.9634, 13158.019)(688.9662, 3136.3257)(689.96716, 866.59393)" C21 H9 N3 O24 + 6.7098 FindByFormula + 686.9559 6.7098 C22 H10 N6 O2 " [ C22 H10 N6 O2, mfg=96.55, tgt=, overall=48.27 ]" "(781.1872, 570.37)(391.09424, 12438.425)(392.09717, 2823.9365)(393.0982, 566.5618)" C22 H10 N6 O2 FindByFormula + 390.0862 1.95075 C22 H10 N8 O17 " [ C22 H10 N8 O17, mfg=66.31, tgt=, overall=66.31 ]" "(659.0251, 2239.0452)(660.02277, 473.8825)" C22 H10 N8 O17 FindByFormula + 658.0205 7.46525 C22 H12 N10 O S " [ C22 H12 N10 O S, mfg=95.13, tgt=, overall=95.13 ]" "(929.19794, 222.104)(951.1678, 297.43)(465.0983, 5523.5054)(466.1017, 1410.1665)(467.10165, 335.96732)" C22 H12 N10 O S FindByFormula + 464.0932 1.9555333 C22 H12 N2 O12 " [ C22 H12 N2 O12, mfg=73.44, tgt=, overall=73.44 ]" "(497.04626, 2455.275)(498.0474, 465.89502)" C22 H12 N2 O12 FindByFormula + 496.0378 9.7645 C22 H14 N4 O12 " [ C22 H14 N4 O12, mfg=94.18, tgt=, overall=94.18 ]" "(1091.0948, 70.37)(527.0686, 3263.08)(528.0706, 834.56665)(529.0676, 216.5)" C22 H14 N4 O12 FindByFormula + 526.0633 2.003 C22 H14 O10 " [ C22 H14 O10, mfg=93.26, tgt=, overall=93.26 ]" "(437.05212, 13052.113)(438.05576, 2798.5168)(439.0531, 91.69)" C22 H14 O10 FindByFormula - 438.0614 11.071834 C22 H16 N14 O6 " [ C22 H16 N14 O6, mfg=93.90, tgt=, overall=93.90 ]" "(571.1307, 8038.2114)(572.1313, 2222.2673)(573.1303, 540.07715)" C22 H16 N14 O6 FindByFormula - 572.1402 1.3117143 C22 H16 N14 O7 " [ C22 H16 N14 O7, mfg=70.78, tgt=, overall=70.78 ]" "(587.1255, 1876.4634)(588.1229, 551.2)" C22 H16 N14 O7 FindByFormula - 588.1332 1.2986666 C22 H19 N15 O3 S " [ C22 H19 N15 O3 S, mfg=84.28, tgt=, overall=84.28 ]" "(1147.3197, 149.485)(574.1616, 48359.94)(575.1554, 16759.596)(576.1592, 3617.5574)(577.1594, 842.875)(612.1211, 1072.169)(596.13837, 1309.9218)" C22 H19 N15 O3 S FindByFormula + 573.155 1.2656666 C22 H2 N2 O11 S3 " [ C22 H2 N2 O11 S3, mfg=70.65, tgt=, overall=70.65 ]" "(1132.7593, 319.01752)(1133.7603, 22.45)(566.88885, 4834.559)(567.8918, 484.8796)(568.89215, 331.9062)" C22 H2 N2 O11 S3 FindByFormula + 565.8818 26.511456 C22 H2 N2 O11 S3 + 26.552536 " [ C22 H2 N2 O11 S3, mfg=71.24, tgt=, overall=71.24 ]" "(1132.7544, 212.12999)(1133.7454, 1140.88)(566.8887, 5950.391)(567.8919, 619.5482)(568.8915, 339.07233)" C22 H2 N2 O11 S3 + 26.552536 FindByFormula + 565.8822 26.552536 C22 H22 N18 O2 " [ C22 H22 N18 O2, mfg=80.38, tgt=, overall=80.38 ]" "(571.22394, 1584.8568)(572.2271, 435.77335)" C22 H22 N18 O2 FindByFormula + 570.2176 12.605667 C22 H22 N4 O6 S " [ C22 H22 N4 O6 S, mfg=94.24, tgt=, overall=94.24 ]" "(471.1323, 23009.191)(472.13562, 6005.692)(473.13727, 1363.8296)(474.13837, 317.651)(493.11444, 4799.9194)(494.1176, 1384.2709)(495.12155, 213.52907)" C22 H22 N4 O6 S FindByFormula + 470.1234 11.838273 C22 H22 N4 O6 S + 11.836072 " [ C22 H22 N4 O6 S, mfg=92.82, tgt=, overall=92.82 ]" "(471.13275, 23750.771)(472.13602, 6189.403)(473.13547, 963.51)(493.11517, 5013.7603)(494.11774, 1016.68)(495.1224, 132.62)" C22 H22 N4 O6 S + 11.836072 FindByFormula + 470.1266 11.836072 C22 H22 N4 O6 S + 11.840647 " [ C22 H22 N4 O6 S, mfg=94.06, tgt=, overall=94.06 ]" "(471.13242, 22870.53)(472.1357, 5940.534)(473.1377, 1560.5671)(493.1146, 4512.9795)(494.11768, 1872.03)" C22 H22 N4 O6 S + 11.840647 FindByFormula + 470.1325 11.840647 C22 H22 N4 O6 S + 11.842944 " [ C22 H22 N4 O6 S, mfg=94.12, tgt=, overall=94.12 ]" "(471.13248, 22102.414)(472.13586, 5733.5757)(473.1381, 1314.725)(474.1363, 306.83)(493.11438, 4471.2627)(494.11795, 1400.0789)(495.12775, 250.20001)" C22 H22 N4 O6 S + 11.842944 FindByFormula + 470.1239 11.842944 C22 H22 N4 O6 S + 11.843882 " [ C22 H22 N4 O6 S, mfg=93.76, tgt=, overall=93.76 ]" "(471.13223, 21727.059)(472.13556, 5606.9316)(473.13663, 1303.2836)(493.1153, 5003.716)(494.11856, 1532.662)" C22 H22 N4 O6 S + 11.843882 FindByFormula + 470.1287 11.843882 C22 H22 N4 O6 S + 12.416666 " [ C22 H22 N4 O6 S, mfg=95.74, tgt=, overall=95.74 ]" "(471.13266, 5343.857)(472.13635, 1432.6912)(473.13647, 394.76498)(493.11362, 495.31714)" C22 H22 N4 O6 S + 12.416666 FindByFormula + 470.1336 12.416666 C22 H22 N4 O6 S + 12.4881 " [ C22 H22 N4 O6 S, mfg=94.32, tgt=, overall=94.32 ]" "(471.133, 7134.1157)(472.1364, 1897.195)(473.13803, 432.82333)(474.138, 155.13)(493.11295, 1141.9)(494.1168, 370.31998)" C22 H22 N4 O6 S + 12.4881 FindByFormula + 470.1255 12.4881 C22 H22 N4 O6 S + 12.925691 " [ C22 H22 N4 O6 S, mfg=86.45, tgt=, overall=86.45 ]" "(471.13324, 1909.5907)(472.13544, 559.4238)(473.1415, 238.76335)(493.11218, 505.03)(494.1136, 231.015)" C22 H22 N4 O6 S + 12.925691 FindByFormula + 470.1285 12.925691 C22 H22 N4 O6 S + 13.1144 " [ C22 H22 N4 O6 S, mfg=94.05, tgt=, overall=94.05 ]" "(471.1329, 1782.4641)(472.1358, 544.3981)(473.13614, 170.83333)(493.11206, 761.80664)(494.1123, 189.81)" C22 H22 N4 O6 S + 13.1144 FindByFormula + 470.1249 13.1144 C22 H22 N4 O6 S + 13.184626 " [ C22 H22 N4 O6 S, mfg=93.72, tgt=, overall=93.72 ]" "(471.1332, 2292.4277)(472.1361, 684.9988)(473.13055, 194.875)(493.113, 900.99005)(494.1255, 150.36)" C22 H22 N4 O6 S + 13.184626 FindByFormula + 470.1325 13.184626 C22 H22 N4 O6 S + 13.202 " [ C22 H22 N4 O6 S, mfg=94.04, tgt=, overall=94.04 ]" "(471.1333, 2227.415)(472.1365, 659.69)(473.13373, 310.47998)(493.11523, 1142.825)(494.11658, 251.49)" C22 H22 N4 O6 S + 13.202 FindByFormula + 470.1286 13.202 C22 H24 N6 O5 " [ C22 H24 N6 O5, mfg=70.29, tgt=, overall=70.29 ]" "(451.17343, 1049.502)(452.17603, 383.47403)" C22 H24 N6 O5 FindByFormula - 452.1815 24.015198 C22 H25 N17 S " [ C22 H25 N17 S, mfg=97.46, tgt=, overall=48.73 ]" "(560.2275, 4449.933)(561.2289, 1311.4285)(562.2296, 403.238)(582.21136, 488.66006)" C22 H25 N17 S FindByFormula + 559.2209 14.508932 C22 H25 N19 O6 " [ C22 H25 N19 O6, mfg=79.33, tgt=, overall=79.33 ]" "(650.2166, 1982.315)(651.219, 608.17)" C22 H25 N19 O6 FindByFormula - 651.2218 14.470751 C22 H26 N22 O3 S " [ C22 H26 N22 O3 S, mfg=91.16, tgt=, overall=91.16 ]" "(679.2342, 1412.0732)(680.23584, 519.9766)(681.2306, 155.53)" C22 H26 N22 O3 S FindByFormula + 678.2302 16.431 C22 H26 S " [ C22 H26 S, mfg=73.57, tgt=, overall=36.79 ]" "(645.3561, 12617.51)(646.35535, 5404.5547)(647.359, 2518.73)(683.3074, 164.57)" C22 H26 S FindByFormula + 322.1742 1.0695 C22 H27 N13 O2 " [ C22 H27 N13 O2, mfg=79.81, tgt=, overall=39.90 ]" "(506.24963, 5400.385)(507.2461, 1633.51)(508.2384, 325.95)(528.22815, 789.635)(529.2269, 402.625)" C22 H27 N13 O2 FindByFormula + 505.237 7.9665003 C22 H27 N15 O " [ C22 H27 N15 O, mfg=93.92, tgt=, overall=93.92 ]" "(259.63434, 2405.3633)(260.13464, 727.15894)(260.62964, 84.19)(518.2544, 4351.6353)(519.25604, 916.8141)(520.2546, 308.86142)(540.23846, 428.4733)" C22 H27 N15 O FindByFormula + 517.2518 15.1248 C22 H27 N15 O3 " [ C22 H27 N15 O3, mfg=76.91, tgt=, overall=76.91 ]" "(550.2483, 2499.976)(551.24963, 791.37195)" C22 H27 N15 O3 FindByFormula + 549.2392 15.1032 C22 H28 N20 O7 " [ C22 H28 N20 O7, mfg=74.78, tgt=, overall=74.78 ]" "(685.2526, 1232.39)(686.25525, 442.435)" C22 H28 N20 O7 FindByFormula + 684.2465 16.666248 C22 H28 N8 O2 " [ C22 H28 N8 O2, mfg=78.78, tgt=, overall=78.78 ]" "(435.22775, 1176.175)(436.23026, 316.525)" C22 H28 N8 O2 FindByFormula - 436.2357 8.0485 C22 H29 N O6 " [ C22 H29 N O6, mfg=93.10, tgt=, overall=93.10 ]" "(404.20667, 7712.9067)(405.21, 1988.8384)(406.2041, 399.78833)" C22 H29 N O6 FindByFormula + 403.1981 11.845417 C22 H29 N5 O " [ C22 H29 N5 O, mfg=70.72, tgt=, overall=70.72 ]" "(380.24344, 5014.625)(381.25043, 1576.7351)" C22 H29 N5 O FindByFormula + 379.2353 17.5275 C22 H29 N9 O " [ C22 H29 N9 O, mfg=69.17, tgt=, overall=69.17 ]" "(218.63205, 1410.465)(219.1337, 550.255)" C22 H29 N9 O FindByFormula + 435.2499 13.6935005 C22 H30 N12 O9 " [ C22 H30 N12 O9, mfg=74.91, tgt=, overall=74.91 ]" "(605.21765, 2173.4949)(606.2207, 716.17505)" C22 H30 N12 O9 FindByFormula - 606.2264 11.3905 C22 H30 N16 O3 " [ C22 H30 N16 O3, mfg=77.51, tgt=, overall=77.51 ]" "(565.2615, 1901.35)(566.26495, 636.9717)" C22 H30 N16 O3 FindByFormula - 566.2624 6.947834 C22 H30 N20 O4 " [ C22 H30 N20 O4, mfg=76.43, tgt=, overall=76.43 ]" "(639.28235, 971.18)(640.28345, 332.28998)" C22 H30 N20 O4 FindByFormula + 638.2738 27.1495 C22 H30 N8 O9 S4 " [ C22 H30 N8 O9 S4, mfg=85.01, tgt=, overall=85.01 ]" "(679.1024, 3029.38)(680.09845, 483.65997)(681.1017, 648.855)(682.1057, 218.94)(717.0663, 1438.245)(718.06946, 433.375)(719.06006, 441.66498)(701.0851, 1743.47)(702.083, 704.755)" C22 H30 N8 O9 S4 FindByFormula + 678.0975 0.972 C22 H31 N O4 " [ C22 H31 N O4, mfg=76.33, tgt=, overall=76.33 ]" "(372.2173, 1035.0867)(373.21848, 233.99)" C22 H31 N O4 FindByFormula - 373.2239 8.650667 C22 H31 N15 O5 S " [ C22 H31 N15 O5 S, mfg=97.89, tgt=, overall=97.89 ]" "(618.24805, 1487.5734)(618.75, 158.96333)(309.62527, 3860.5957)(310.12662, 1131.6456)(310.62592, 334.415)(618.2446, 939.1875)(619.2386, 226.59749)" C22 H31 N15 O5 S FindByFormula + 617.2368 14.825384 C22 H31 N17 " [ C22 H31 N17, mfg=77.02, tgt=, overall=77.02 ]" "(532.28674, 1215.024)(533.2908, 413.57196)" C22 H31 N17 FindByFormula - 533.2946 10.2848 C22 H31 N9 O2 " [ C22 H31 N9 O2, mfg=96.62, tgt=, overall=96.62 ]" "(227.63712, 2741.882)(228.13895, 867.536)(228.6405, 142.45601)" C22 H31 N9 O2 FindByFormula + 453.2609 13.715401 C22 H32 N10 O " [ C22 H32 N10 O, mfg=82.28, tgt=, overall=82.28 ]" "(451.26904, 2174.3833)(452.2726, 605.38666)" C22 H32 N10 O FindByFormula - 452.2748 10.484666 C22 H32 N4 O2 S " [ C22 H32 N4 O2 S, mfg=92.53, tgt=, overall=92.53 ]" "(417.23227, 11704.267)(418.2356, 2917.6035)(419.23795, 842.2133)" C22 H32 N4 O2 S FindByFormula + 416.2259 15.134999 C22 H33 N21 " [ C22 H33 N21, mfg=74.00, tgt=, overall=74.00 ]" "(592.3288, 6500.7134)(593.3298, 2360.8867)" C22 H33 N21 FindByFormula + 591.3193 15.090333 C22 H33 N9 O3 " [ C22 H33 N9 O3, mfg=97.52, tgt=, overall=97.52 ]" "(981.495, 2997.5557)(982.49817, 1693.3533)(983.5023, 1015.2957)(965.5127, 753.24994)(966.5161, 610.8025)(236.64267, 7830.4087)(237.1446, 2329.9053)(237.64348, 432.15607)(472.27344, 3012.406)(473.27383, 1024.6315)" C22 H33 N9 O3 FindByFormula + 471.2698 13.714399 C22 H33 N9 O3 - 7.292667 " [ C22 H33 N9 O3, mfg=77.39, tgt=, overall=77.39 ]" "(470.26358, 2054.73)(471.2634, 507.42667)" C22 H33 N9 O3 - 7.292667 FindByFormula - 471.2705 7.292667 C22 H34 N10 " [ C22 H34 N10, mfg=93.92, tgt=, overall=93.92 ]" "(437.2884, 3895.0757)(438.29242, 1116.4459)(439.2895, 40.05)" C22 H34 N10 FindByFormula - 438.296 12.310201 C22 H34 N10 - 12.290668 " [ C22 H34 N10, mfg=79.26, tgt=, overall=79.26 ]" "(437.28833, 5291.7866)(438.29214, 1595.1299)" C22 H34 N10 - 12.290668 FindByFormula - 438.293 12.290668 C22 H34 N10 O " [ C22 H34 N10 O, mfg=90.36, tgt=, overall=90.36 ]" "(453.28485, 1421.4675)(454.28745, 511.145)(455.2909, 55.660004)" C22 H34 N10 O FindByFormula - 454.2951 10.148749 C22 H34 N10 O - 11.405001 " [ C22 H34 N10 O, mfg=98.27, tgt=, overall=98.27 ]" "(453.2843, 7601.015)(454.28802, 2170.075)(455.28967, 397.815)" C22 H34 N10 O - 11.405001 FindByFormula - 454.2944 11.405001 C22 H34 N28 " [ C22 H34 N28, mfg=69.71, tgt=, overall=69.71 ]" "(691.36255, 1397.015)(692.3556, 468.63998)" C22 H34 N28 FindByFormula + 690.3557 8.158 C22 H34 N8 O3 " [ C22 H34 N8 O3, mfg=78.83, tgt=, overall=78.83 ]" "(457.2693, 2610.1184)(458.2728, 681.98505)" C22 H34 N8 O3 FindByFormula - 458.2791 8.728 C22 H35 N S " [ C22 H35 N S, mfg=78.38, tgt=, overall=78.38 ]" "(346.25894, 1297.5801)(347.26166, 356.72998)(384.2097, 85.71)(368.24084, 4107.5996)(369.2392, 1216.27)(370.2369, 271.66998)" C22 H35 N S FindByFormula + 345.2528 10.009 C22 H35 N11 O2 S2 " [ C22 H35 N11 O2 S2, mfg=95.30, tgt=, overall=95.30 ]" "(550.2484, 3815.4219)(551.252, 1226.6727)(552.24725, 545.155)" C22 H35 N11 O2 S2 FindByFormula + 549.2418 15.181 C22 H35 N13 " [ C22 H35 N13, mfg=98.21, tgt=, overall=98.21 ]" "(961.6124, 823.52)(480.30664, 42860.72)(481.30933, 11397.4)(482.3107, 2243.3472)" C22 H35 N13 FindByFormula - 481.3131 16.781143 C22 H35 N13 - 16.799185 " [ C22 H35 N13, mfg=95.43, tgt=, overall=95.43 ]" "(480.30664, 24332.451)(481.3094, 6468.7563)(482.3101, 1741.6412)" C22 H35 N13 - 16.799185 FindByFormula - 481.3131 16.799185 C22 H35 N17 " [ C22 H35 N17, mfg=87.19, tgt=, overall=87.19 ]" "(538.33453, 15343.23)(539.3333, 4820.2197)(540.32434, 628.685)(560.31635, 13549.23)(561.3182, 4780.99)(562.30804, 444.78497)" C22 H35 N17 FindByFormula + 537.3267 7.5065002 C22 H35 N5 S " [ C22 H35 N5 S, mfg=84.72, tgt=, overall=84.72 ]" "(402.27045, 8797.084)(403.26956, 2020.1945)(404.26688, 492.905)(440.2286, 231.45999)(424.25037, 2834.505)(425.24792, 677.35)(426.2477, 344.79248)" C22 H35 N5 S FindByFormula + 401.2631 1.1412858 C22 H35 N9 O3 " [ C22 H35 N9 O3, mfg=76.84, tgt=, overall=76.84 ]" "(472.28052, 1632.056)(473.28125, 396.15)" C22 H35 N9 O3 FindByFormula - 473.2855 7.8018007 C22 H35 N9 O3 - 7.787333 " [ C22 H35 N9 O3, mfg=78.17, tgt=, overall=78.17 ]" "(472.28043, 1435.21)(473.28116, 383.33)" C22 H35 N9 O3 - 7.787333 FindByFormula - 473.284 7.787333 C22 H35 N9 O5 " [ C22 H35 N9 O5, mfg=80.87, tgt=, overall=80.87 ]" "(504.2682, 5871.7715)(505.27036, 1495.6233)" C22 H35 N9 O5 FindByFormula - 505.2748 15.169222 C22 H36 N16 O7 " [ C22 H36 N16 O7, mfg=85.88, tgt=, overall=85.88 ]" "(1273.605, 1274.9751)(1274.6061, 938.605)(1275.6097, 514.04)(1311.567, 172.15)(1295.5826, 27103.225)(1296.5854, 20596.771)(1297.5847, 8606.733)(1298.5918, 3630.045)(1299.5874, 1024.7)(637.30475, 22409.178)(638.30756, 8479.328)(639.3081, 3188.6238)(640.31287, 876.55)(675.25903, 12663.784)(676.2609, 5059.3237)(677.2568, 1696.4166)(678.25824, 701.18)(659.28577, 136664.81)(660.2815, 48884.75)(661.28766, 7876.79)(662.2889, 766.74)" C22 H36 N16 O7 FindByFormula + 636.2974 21.053715 C22 H36 N4 O3 " [ C22 H36 N4 O3, mfg=83.27, tgt=, overall=83.27 ]" "(403.27188, 5558.9414)(404.27527, 1398.3966)" C22 H36 N4 O3 FindByFormula - 404.2791 9.947667 C22 H36 N6 O3 + 18.802198 " [ C22 H36 N6 O3, mfg=98.46, tgt=, overall=49.23 ]" "(887.56415, 125.395004)(433.29208, 9741.087)(434.29532, 2521.9248)(435.29672, 578.823)" C22 H36 N6 O3 + 18.802198 FindByFormula + 432.285 18.802198 C22 H36 N6 O4 " [ C22 H36 N6 O4, mfg=98.60, tgt=, overall=98.60 ]" "(449.28696, 15849.177)(450.29053, 4310.767)(451.29083, 891.2293)" C22 H36 N6 O4 FindByFormula + 448.281 16.196854 C22 H36 N6 O4 + 16.18953 " [ C22 H36 N6 O4, mfg=98.79, tgt=, overall=98.79 ]" "(449.28693, 18724.672)(450.29053, 5099.9614)(451.29086, 996.8574)" C22 H36 N6 O4 + 16.18953 FindByFormula + 448.28 16.18953 C22 H36 N6 O4 + 16.232122 " [ C22 H36 N6 O4, mfg=98.58, tgt=, overall=98.58 ]" "(449.2869, 17088.666)(450.29053, 4640.952)(451.2906, 929.56055)" C22 H36 N6 O4 + 16.232122 FindByFormula + 448.2795 16.232122 C22 H37 N11 " [ C22 H37 N11, mfg=97.57, tgt=, overall=97.57 ]" "(456.33136, 9657.966)(457.3335, 2632.8416)(458.3348, 538.23)(478.31216, 1150.1766)(479.31226, 505.19003)" C22 H37 N11 FindByFormula + 455.3229 11.196714 C22 H37 N17 O " [ C22 H37 N17 O, mfg=71.82, tgt=, overall=71.82 ]" "(556.339, 456.06)(557.3606, 145.53)(578.3207, 630.99)(579.33875, 397.655)" C22 H37 N17 O FindByFormula + 555.3389 1.1515 C22 H37 N5 O8 " [ C22 H37 N5 O8, mfg=80.71, tgt=, overall=80.71 ]" "(498.25705, 2466.1733)(499.25977, 678.16)" C22 H37 N5 O8 FindByFormula - 499.2614 7.6713333 C22 H38 N10 O5 " [ C22 H38 N10 O5, mfg=90.32, tgt=, overall=90.32 ]" "(523.3108, 12673.07)(524.3126, 3786.8398)(525.3047, 811.99)(545.29376, 4712.735)(546.2937, 1306.3201)" C22 H38 N10 O5 FindByFormula + 522.3026 12.7085 C22 H38 N16 O8 " [ C22 H38 N16 O8, mfg=95.79, tgt=, overall=95.79 ]" "(653.2983, 3777.0967)(654.3011, 1325.6334)(655.30396, 306.78)" C22 H38 N16 O8 FindByFormula - 654.3033 22.308668 C22 H39 N11 " [ C22 H39 N11, mfg=98.16, tgt=, overall=98.16 ]" "(458.34583, 18435.732)(459.34805, 5228.6616)(460.3502, 994.3362)(461.3508, 286.315)" C22 H39 N11 FindByFormula + 457.3399 17.491999 C22 H39 N13 O7 S2 " [ C22 H39 N13 O7 S2, mfg=83.74, tgt=, overall=83.74 ]" "(662.2617, 2829.536)(663.25616, 922.19006)(664.2637, 501.43)" C22 H39 N13 O7 S2 FindByFormula + 661.2548 16.812399 C22 H39 N3 O5 " [ C22 H39 N3 O5, mfg=85.85, tgt=, overall=85.85 ]" "(426.29526, 6924.3804)(427.3, 1629.755)(428.3031, 691.61)(448.2808, 5962.66)(449.2821, 1075.89)" C22 H39 N3 O5 FindByFormula + 425.2917 11.6189995 C22 H39 N7 O3 " [ C22 H39 N7 O3, mfg=92.70, tgt=, overall=92.70 ]" "(448.30457, 3933.9927)(449.30927, 1183.4877)(450.31223, 208.90715)" C22 H39 N7 O3 FindByFormula - 449.3123 11.589616 C22 H39 N7 O3 - 11.588428 " [ C22 H39 N7 O3, mfg=95.01, tgt=, overall=95.01 ]" "(448.30417, 3784.6194)(449.3087, 1138.7528)(450.3107, 205.61928)" C22 H39 N7 O3 - 11.588428 FindByFormula - 449.3116 11.588428 C22 H39 N7 O4 " [ C22 H39 N7 O4, mfg=96.83, tgt=, overall=96.83 ]" "(464.29868, 4484.9404)(465.303, 1287.6637)(466.30618, 235.6425)" C22 H39 N7 O4 FindByFormula - 465.3038 10.287715 C22 H40 N2 O9 " [ C22 H40 N2 O9, mfg=97.02, tgt=, overall=97.02 ]" "(475.26614, 2916.885)(476.2697, 843.265)(477.27045, 137.705)" C22 H40 N2 O9 FindByFormula - 476.2712 11.4135 C22 H40 N24 O " [ C22 H40 N24 O, mfg=75.67, tgt=, overall=75.67 ]" "(655.374, 3177.345)(656.3754, 1216.5349)" C22 H40 N24 O FindByFormula - 656.3827 8.4485 C22 H40 N26 O2 " [ C22 H40 N26 O2, mfg=88.41, tgt=, overall=88.41 ]" "(701.39197, 37466.3)(702.392, 12955.938)(703.3867, 3231.9539)(704.3897, 1399.3766)(739.3551, 62.05)" C22 H40 N26 O2 FindByFormula + 700.3766 8.212 C22 H40 N26 O2 - 7.5905 " [ C22 H40 N26 O2, mfg=98.09, tgt=, overall=98.09 ]" "(699.3755, 4322.875)(700.37823, 1536.2051)(701.37665, 236.125)" C22 H40 N26 O2 - 7.5905 FindByFormula - 700.3821 7.5905 C22 H40 O7 " [ C22 H40 O7, mfg=81.34, tgt=, overall=81.34 ]" "(415.26974, 2310.8198)(416.27325, 605.87)" C22 H40 O7 FindByFormula - 416.2765 9.7495 C22 H41 N17 O6 S3 " [ C22 H41 N17 O6 S3, mfg=90.24, tgt=, overall=90.24 ]" "(736.2652, 2395.55)(737.2698, 740.76337)(738.2625, 389.30997)(758.2557, 673.34)(759.2642, 380.68)" C22 H41 N17 O6 S3 FindByFormula + 735.2623 15.369 C22 H41 N5 " [ C22 H41 N5, mfg=60.22, tgt=, overall=60.22 ]" "(376.34302, 1368.0975)(377.3427, 494.79123)" C22 H41 N5 FindByFormula + 375.3355 10.952625 C22 H41 N7 O4 S " [ C22 H41 N7 O4 S, mfg=98.11, tgt=, overall=98.11 ]" "(498.2864, 11937.606)(499.2892, 3579.5515)(500.2884, 1224.9073)(501.28793, 190.63602)" C22 H41 N7 O4 S FindByFormula - 499.2918 11.089125 C22 H41 N7 O4 S - 11.064688 " [ C22 H41 N7 O4 S, mfg=97.06, tgt=, overall=97.06 ]" "(498.286, 17468.34)(499.28888, 5139.755)(500.28772, 1658.5833)(501.28955, 648.74)" C22 H41 N7 O4 S - 11.064688 FindByFormula - 499.2906 11.064688 C22 H42 N14 S " [ C22 H42 N14 S, mfg=87.63, tgt=, overall=87.63 ]" "(535.34955, 2985.02)(536.3589, 931.02496)(537.34937, 187.07)" C22 H42 N14 S FindByFormula + 534.3409 20.517 C22 H42 N16 " [ C22 H42 N16, mfg=93.87, tgt=, overall=93.87 ]" "(531.38544, 3256.714)(532.38586, 937.716)(533.3827, 159.248)" C22 H42 N16 FindByFormula + 530.3766 19.198002 C22 H42 N16 + 19.200668 " [ C22 H42 N16, mfg=94.70, tgt=, overall=94.70 ]" "(531.385, 3477.0068)(532.3857, 1058.6718)(533.38324, 173.76001)" C22 H42 N16 + 19.200668 FindByFormula + 530.3764 19.200668 C22 H42 N2 O17 S2 " [ C22 H42 N2 O17 S2, mfg=89.22, tgt=, overall=89.22 ]" "(671.19885, 4500.492)(672.2014, 1249.5476)(673.20605, 686.94)" C22 H42 N2 O17 S2 FindByFormula + 670.1916 1.036 C22 H42 N2 O8 " [ C22 H42 N2 O8, mfg=98.00, tgt=, overall=98.00 ]" "(463.3016, 1088504.4)(464.30585, 269239.84)(465.3083, 50618.805)(466.3188, 15565.9)(467.328, 2794.9175)" C22 H42 N2 O8 FindByFormula + 462.2952 17.497961 C22 H42 N2 O8 + 17.458143 " [ C22 H42 N2 O8, mfg=96.77, tgt=, overall=96.77 ]" "(463.30194, 972903.0)(464.30624, 233786.22)(465.30853, 45451.79)(466.31842, 11159.864)(467.32416, 2836.065)" C22 H42 N2 O8 + 17.458143 FindByFormula + 462.2951 17.458143 C22 H42 N2 O8 + 17.497961 " [ C22 H42 N2 O8, mfg=98.49, tgt=, overall=98.49 ]" "(463.30148, 1090106.5)(464.3058, 269314.22)(465.30817, 50713.02)" C22 H42 N2 O8 + 17.497961 FindByFormula + 462.2949 17.497961 C22 H42 N2 O8 + 17.498608 " [ C22 H42 N2 O8, mfg=98.73, tgt=, overall=98.73 ]" "(463.3013, 1114442.2)(464.3056, 276209.03)(465.308, 51758.12)" C22 H42 N2 O8 + 17.498608 FindByFormula + 462.295 17.498608 C22 H42 N8 O8 " [ C22 H42 N8 O8, mfg=97.21, tgt=, overall=97.21 ]" "(547.3207, 21993.457)(548.3229, 6174.5996)(549.3214, 1183.6699)(550.321, 435.255)(569.303, 2508.4102)(570.2983, 987.9425)" C22 H42 N8 O8 FindByFormula + 546.3138 2.94 C22 H42 N8 O8 + 2.94 " [ C22 H42 N8 O8, mfg=97.59, tgt=, overall=97.59 ]" "(547.3207, 22094.7)(548.3228, 6174.755)(549.32227, 1243.14)(569.303, 2478.38)(570.2985, 967.27997)" C22 H42 N8 O8 + 2.94 FindByFormula + 546.315 2.94 C22 H43 N O " [ C22 H43 N O, mfg=56.32, tgt=, overall=56.32 ]" "(338.34357, 1321.88)(339.3468, 523.79004)" C22 H43 N O FindByFormula + 337.3356 27.0295 C22 H43 N O4 " [ C22 H43 N O4, mfg=93.07, tgt=, overall=93.07 ]" "(386.32663, 2803.7283)(387.32925, 821.63226)(388.32904, 172.922)(408.307, 350.55875)(409.31192, 203.95001)" C22 H43 N O4 FindByFormula + 385.3186 13.860999 C22 H43 N O4 + 13.7675 " [ C22 H43 N O4, mfg=92.67, tgt=, overall=92.67 ]" "(386.32623, 2623.59)(387.3293, 712.88245)(388.32257, 102.72)(408.30728, 308.5675)(409.3161, 178.8)" C22 H43 N O4 + 13.7675 FindByFormula + 385.3182 13.7675 C22 H43 N O4 + 13.889999 " [ C22 H43 N O4, mfg=79.99, tgt=, overall=79.99 ]" "(386.3272, 2823.005)(387.3293, 932.1629)(388.3246, 211.47)(408.30914, 454.75)(409.3134, 107.05)" C22 H43 N O4 + 13.889999 FindByFormula + 385.3201 13.889999 C22 H43 N O4 + 9.6425 " [ C22 H43 N O4, mfg=81.45, tgt=, overall=81.45 ]" "(386.32565, 5552.8096)(387.32928, 1452.53)" C22 H43 N O4 + 9.6425 FindByFormula + 385.3153 9.6425 C22 H44 N4 O8 " [ C22 H44 N4 O8, mfg=47.62, tgt=, overall=47.62 ]" "(985.6402, 3090.2483)(986.6423, 1963.1732)(987.6416, 749.4017)(1007.62036, 1763.99)(1008.61597, 882.32666)(493.3232, 814.28503)" C22 H44 N4 O8 FindByFormula + 492.3176 1.2386667 C22 H45 N O3 " [ C22 H45 N O3, mfg=92.37, tgt=, overall=92.37 ]" "(372.34653, 7397.5703)(373.349, 1980.7567)(374.34692, 322.8)" C22 H45 N O3 FindByFormula + 371.3407 9.654667 C22 H45 N11 O16 " [ C22 H45 N11 O16, mfg=89.69, tgt=, overall=89.69 ]" "(718.2971, 14597.153)(719.29803, 4861.2603)(720.3084, 1283.5199)" C22 H45 N11 O16 FindByFormula - 719.3058 6.8503337 C22 H45 N3 O5 S " [ C22 H45 N3 O5 S, mfg=84.45, tgt=, overall=84.45 ]" "(464.313, 7925.6206)(465.31577, 2060.6438)(466.32474, 794.9792)(502.26624, 1094.99)(486.29605, 6845.3755)(487.29907, 2165.2095)(488.30142, 596.58)" C22 H45 N3 O5 S FindByFormula + 463.3054 15.742617 C22 H45 N5 O8 " [ C22 H45 N5 O8, mfg=78.19, tgt=, overall=78.19 ]" "(506.31934, 2213.0503)(507.32266, 665.696)" C22 H45 N5 O8 FindByFormula - 507.3271 15.354401 C22 H47 N " [ C22 H47 N, mfg=97.43, tgt=, overall=97.43 ]" "(326.37772, 39598.97)(327.3814, 9244.467)(328.3798, 1307.2816)" C22 H47 N FindByFormula + 325.3707 16.08838 C22 H47 N + 16.0898 " [ C22 H47 N, mfg=98.41, tgt=, overall=98.41 ]" "(326.37787, 41195.85)(327.38153, 9638.01)(328.38086, 1315.3541)" C22 H47 N + 16.0898 FindByFormula + 325.3715 16.0898 C22 H47 N O2 " [ C22 H47 N O2, mfg=80.24, tgt=, overall=80.24 ]" "(358.36868, 2343.812)(359.36987, 547.60803)" C22 H47 N O2 FindByFormula + 357.3631 15.7328005 C22 H47 N21 O6 " [ C22 H47 N21 O6, mfg=70.73, tgt=, overall=70.73 ]" "(702.4104, 4550.3887)(703.4117, 1035.7635)" C22 H47 N21 O6 FindByFormula + 701.4038 17.014364 C22 H48 N4 O11 " [ C22 H48 N4 O11, mfg=73.34, tgt=, overall=73.34 ]" "(545.34033, 58694.67)(546.34296, 11188.21)" C22 H48 N4 O11 FindByFormula + 544.3336 15.381451 C22 H48 N4 O11 + 15.373382 " [ C22 H48 N4 O11, mfg=89.40, tgt=, overall=89.40 ]" "(545.3403, 48048.207)(546.34296, 9189.002)(547.345, 1447.2874)" C22 H48 N4 O11 + 15.373382 FindByFormula + 544.3334 15.373382 C22 H49 N11 O8 " [ C22 H49 N11 O8, mfg=91.19, tgt=, overall=91.19 ]" "(596.3847, 477267.25)(597.3874, 103756.33)(598.3898, 18017.45)(599.39087, 1609.53)" C22 H49 N11 O8 FindByFormula + 595.3766 17.215233 C22 H49 N5 O8 S " [ C22 H49 N5 O8 S, mfg=89.21, tgt=, overall=89.21 ]" "(544.33624, 11087.35)(545.3412, 2838.08)(546.3439, 871.29)(566.3219, 4054.73)(567.3235, 1471.57)(568.3334, 993.11)" C22 H49 N5 O8 S FindByFormula + 543.3228 14.1255 C22 H8 " [ C22 H8, mfg=62.83, tgt=, overall=62.83 ]" "(583.0873, 425.93002)(273.07117, 1231.25)(274.074, 451.5)" C22 H8 FindByFormula + 272.0628 4.3025 C22 H8 N4 O3 " [ C22 H8 N4 O3, mfg=76.39, tgt=, overall=76.39 ]" "(375.05325, 2359.18)(376.05664, 452.05002)" C22 H8 N4 O3 FindByFormula - 376.0614 1.1423334 C22 H9 N7 O6 " [ C22 H9 N7 O6, mfg=73.04, tgt=, overall=73.04 ]" "(466.05487, 1425.385)(467.05707, 484.16998)" C22 H9 N7 O6 FindByFormula - 467.0624 10.0665 C22 O9 S5 " [ C22 O9 S5, mfg=40.27, tgt=, overall=40.27 ]" "(568.8192, 1927.275)(569.8141, 534.575)(570.80774, 519.22)" C22 O9 S5 FindByFormula + 567.8113 0.69299996 C22-PGF4alpha "C22-PGF4alpha [ C22 H34 O5, db=84.08, tgt=, overall=84.08, Lipid ID=LMFA04000046, METLIN ID=46019 ]" "(401.2305, 2102.4834)(402.23416, 730.7767)(403.2383, 79.78)" C22-PGF4alpha FindByFormula + LMFA04000046 400.2224 11.417 C23 H10 Cl3 N9 O10 S " [ C23 H10 Cl3 N9 O10 S, mfg=47.62, tgt=, overall=47.62 ]" "(709.94257, 37481.133)(710.9395, 2606.975)(711.9384, 996.2764)(731.9229, 589.41)" C23 H10 Cl3 N9 O10 S FindByFormula + 708.9349 7.2277646 C23 H16 O3 " [ C23 H16 O3, mfg=68.20, tgt=, overall=68.20 ]" "(341.11896, 1781.355)(342.1222, 567.68)" C23 H16 O3 FindByFormula + 340.1125 6.9825 C23 H17 N7 O9 S " [ C23 H17 N7 O9 S, mfg=95.56, tgt=, overall=95.56 ]" "(568.08746, 7830.4595)(569.0897, 2411.93)(570.0874, 969.0533)" C23 H17 N7 O9 S FindByFormula + 567.0825 8.648143 C23 H18 N10 O " [ C23 H18 N10 O, mfg=79.69, tgt=, overall=39.85 ]" "(451.1727, 3460.5608)(452.17508, 1037.7351)" C23 H18 N10 O FindByFormula + 450.1651 13.569251 C23 H18 N8 O17 S " [ C23 H18 N8 O17 S, mfg=78.56, tgt=, overall=78.56 ]" "(709.0441, 5489.648)(710.04834, 1133.322)(711.0558, 276.09)" C23 H18 N8 O17 S FindByFormula - 710.0511 7.8176003 C23 H18 N8 O2 S " [ C23 H18 N8 O2 S, mfg=91.99, tgt=, overall=91.99 ]" "(471.1338, 2914.734)(472.13583, 863.22205)(473.13885, 294.29)" C23 H18 N8 O2 S FindByFormula + 470.128 11.287 C23 H18 N8 O3 " [ C23 H18 N8 O3, mfg=85.33, tgt=, overall=85.33 ]" "(455.15515, 2849.2307)(456.1571, 1179.1158)(457.15457, 684.66693)(493.11453, 4641.476)(494.11758, 1298.5786)(495.11948, 261.94885)" C23 H18 N8 O3 FindByFormula + 454.1511 11.843682 C23 H2 N2 O22 S " [ C23 H2 N2 O22 S, mfg=64.64, tgt=, overall=64.64 ]" "(345.94815, 2445.58)(346.44995, 745.755)(690.8757, 769.665)" C23 H2 N2 O22 S FindByFormula + 689.8782 6.557 C23 H21 N3 O21 S2 " [ C23 H21 N3 O21 S2, mfg=80.67, tgt=, overall=80.67 ]" "(740.0177, 7130.46)(741.0187, 1355.155)(742.0226, 1267.1)" C23 H21 N3 O21 S2 FindByFormula + 739.0114 9.636499 C23 H22 N12 " [ C23 H22 N12, mfg=78.71, tgt=, overall=78.71 ]" "(465.202, 2605.1765)(466.20383, 598.6667)" C23 H22 N12 FindByFormula - 466.2086 7.0553336 C23 H22 N4 O2 " [ C23 H22 N4 O2, mfg=94.79, tgt=, overall=94.79 ]" "(811.3096, 278.97)(812.3043, 85.85)(795.3307, 2961.224)(796.33624, 1515.0859)(797.3283, 591.73)(798.3255, 224.51)(387.18094, 123100.95)(388.18405, 31081.66)(389.18704, 5297.2173)(425.13885, 215566.58)(426.1419, 56439.43)(427.13885, 27203.355)(428.14023, 5998.9097)" C23 H22 N4 O2 FindByFormula + 386.1741 11.7748 C23 H24 N2 O3 S2 " [ C23 H24 N2 O3 S2, mfg=93.68, tgt=, overall=46.84 ]" "(441.13116, 2789.915)(442.13394, 813.3543)(443.1314, 364.1523)" C23 H24 N2 O3 S2 FindByFormula + 440.1229 11.567211 C23 H25 N O5 " [ C23 H25 N O5, mfg=94.91, tgt=, overall=47.45 ]" "(396.1802, 829.66)(418.16217, 9341.308)(419.1662, 2088.5679)(420.169, 614.448)" C23 H25 N O5 FindByFormula + 395.1732 7.5146 C23 H27 N9 O5 " [ C23 H27 N9 O5, mfg=80.40, tgt=, overall=80.40 ]" "(508.20575, 2509.96)(509.20795, 733.185)" C23 H27 N9 O5 FindByFormula - 509.2122 6.6675 C23 H28 N14 O4 S2 " [ C23 H28 N14 O4 S2, mfg=86.24, tgt=, overall=86.24 ]" "(1257.3721, 412.44)(629.19165, 4214.1855)(630.1946, 1383.251)(631.2023, 723.406)(651.1837, 552.16833)" C23 H28 N14 O4 S2 FindByFormula + 628.1867 13.695454 C23 H28 N14 O4 S2 + 13.656272 " [ C23 H28 N14 O4 S2, mfg=85.90, tgt=, overall=85.90 ]" "(629.19135, 4090.3245)(630.193, 1316.31)(631.20166, 694.4778)" C23 H28 N14 O4 S2 + 13.656272 FindByFormula + 628.185 13.656272 C23 H28 N24 O3 " [ C23 H28 N24 O3, mfg=74.82, tgt=, overall=74.82 ]" "(687.2704, 629.575)(688.2725, 246.36)" C23 H28 N24 O3 FindByFormula - 688.2773 15.43625 C23 H28 N8 O3 " [ C23 H28 N8 O3, mfg=76.34, tgt=, overall=76.34 ]" "(465.23642, 495.96997)(466.2366, 152.91333)" C23 H28 N8 O3 FindByFormula + 464.2291 23.272333 C23 H29 N13 O " [ C23 H29 N13 O, mfg=81.52, tgt=, overall=81.52 ]" "(502.25458, 1403.9099)(503.25665, 363.095)" C23 H29 N13 O FindByFormula - 503.2632 7.986 C23 H29 N5 O2 S " [ C23 H29 N5 O2 S, mfg=93.71, tgt=, overall=93.71 ]" "(440.21252, 2662.631)(441.21304, 742.26495)(442.21323, 271.48572)(462.19455, 1950.8972)(463.19534, 529.18427)" C23 H29 N5 O2 S FindByFormula + 439.2061 6.301125 C23 H3 N O22 S3 " [ C23 H3 N O22 S3, mfg=70.88, tgt=, overall=70.88 ]" "(741.83936, 34160.0)(742.8417, 6623.474)(743.84375, 1217.8643)" C23 H3 N O22 S3 FindByFormula + 740.8317 6.7346253 C23 H3 N O22 S3 + 6.753375 " [ C23 H3 N O22 S3, mfg=69.82, tgt=, overall=69.82 ]" "(741.8396, 35997.92)(742.8415, 6970.177)(743.8444, 1317.6399)" C23 H3 N O22 S3 + 6.753375 FindByFormula + 740.838 6.753375 C23 H3 N O26 S " [ C23 H3 N O26 S, mfg=64.09, tgt=, overall=64.09 ]" "(741.87354, 1506.4567)(742.8774, 289.15332)" C23 H3 N O26 S FindByFormula + 740.8658 26.504333 C23 H3 N O5 S3 " [ C23 H3 N O5 S3, mfg=60.62, tgt=, overall=60.62 ]" "(469.9247, 712.75336)(470.92822, 131.77)" C23 H3 N O5 S3 FindByFormula + 468.9175 25.118332 C23 H3 N O5 S3 + 26.484999 " [ C23 H3 N O5 S3, mfg=60.74, tgt=, overall=60.74 ]" "(469.92502, 935.97)(470.92737, 198.71832)" C23 H3 N O5 S3 + 26.484999 FindByFormula + 468.9197 26.484999 C23 H30 N14 O6 " [ C23 H30 N14 O6, mfg=75.57, tgt=, overall=75.57 ]" "(597.239, 1863.66)(598.2434, 611.7133)" C23 H30 N14 O6 FindByFormula - 598.2459 7.147667 C23 H32 N2 O4 " [ C23 H32 N2 O4, mfg=79.65, tgt=, overall=79.65 ]" "(399.2292, 2691.1726)(400.2311, 581.79)" C23 H32 N2 O4 FindByFormula - 400.236 7.785 C23 H32 N20 O3 " [ C23 H32 N20 O3, mfg=95.97, tgt=, overall=95.97 ]" "(1273.5985, 473.0163)(1274.6014, 339.0057)(1275.5905, 244.23401)(1311.5594, 235.49428)(1312.5509, 294.20502)(1295.5803, 6772.8994)(1296.5847, 5431.8857)(1297.5835, 2563.5405)(1298.5839, 1048.1982)(1299.5868, 521.41)(637.3049, 19308.018)(638.30756, 7248.735)(639.30664, 1453.0577)(640.3161, 343.20535)(675.2604, 6053.218)(676.2631, 2357.8628)(677.2618, 901.071)(678.25696, 312.353)(659.28625, 30765.537)(660.28674, 11278.728)(661.2877, 1789.7625)(662.28656, 662.8225)" C23 H32 N20 O3 FindByFormula + 636.2959 21.044239 C23 H33 N11 O15 " [ C23 H33 N11 O15, mfg=75.02, tgt=, overall=75.02 ]" "(702.2083, 1812.2961)(703.21234, 537.77405)" C23 H33 N11 O15 FindByFormula - 703.2162 15.1586 C23 H33 N13 O4 S + 16.780798 " [ C23 H33 N13 O4 S, mfg=90.70, tgt=, overall=45.35 ]" "(588.2576, 7492.3623)(589.26074, 2263.532)(590.2504, 488.41666)(610.24243, 1278.3151)" C23 H33 N13 O4 S + 16.780798 FindByFormula + 587.2494 16.780798 C23 H33 N19 O2 " [ C23 H33 N19 O2, mfg=76.31, tgt=, overall=76.31 ]" "(608.3147, 785.7)(609.3141, 220.22)(646.2546, 407.63)(630.291, 981.255)(631.2992, 526.155)" C23 H33 N19 O2 FindByFormula + 607.3024 7.395 C23 H33 N23 O " [ C23 H33 N23 O, mfg=77.28, tgt=, overall=77.28 ]" "(646.3164, 1646.3201)(647.3198, 592.005)" C23 H33 N23 O FindByFormula - 647.328 10.203 C23 H33 N3 O4 " [ C23 H33 N3 O4, mfg=86.41, tgt=, overall=43.21 ]" "(416.25403, 7822.4634)(417.25534, 2311.1165)(418.25195, 440.69)" C23 H33 N3 O4 FindByFormula + 415.2441 7.8123336 C23 H33 N5 O4 " [ C23 H33 N5 O4, mfg=98.32, tgt=, overall=98.32 ]" "(444.26114, 18918.676)(445.26303, 5329.0703)(446.2665, 839.67596)(482.2249, 443.61)(466.2427, 4276.29)(467.2519, 1025.41)" C23 H33 N5 O4 FindByFormula + 443.2543 8.6514 C23 H33 N7 O10 " [ C23 H33 N7 O10, mfg=96.68, tgt=, overall=96.68 ]" "(568.2354, 11400.17)(569.2399, 3345.46)(570.2428, 559.885)(606.1973, 394.73)(590.2189, 1260.0801)" C23 H33 N7 O10 FindByFormula + 567.229 1.132 C23 H34 N12 O2 " [ C23 H34 N12 O2, mfg=78.93, tgt=, overall=78.93 ]" "(509.28467, 1402.1001)(510.2876, 457.925)" C23 H34 N12 O2 FindByFormula - 510.2928 14.7065 C23 H34 N20 O4 " [ C23 H34 N20 O4, mfg=74.55, tgt=, overall=74.55 ]" "(653.2991, 1980.29)(654.30273, 729.68)" C23 H34 N20 O4 FindByFormula - 654.3081 26.6125 C23 H35 N O2 " [ C23 H35 N O2, mfg=79.08, tgt=, overall=79.08 ]" "(356.2588, 1251.2032)(357.26083, 281.31332)" C23 H35 N O2 FindByFormula - 357.265 8.390334 C23 H35 N O2 - 8.346 " [ C23 H35 N O2, mfg=81.15, tgt=, overall=81.15 ]" "(356.2589, 1453.4233)(357.2618, 316.0167)" C23 H35 N O2 - 8.346 FindByFormula - 357.2655 8.346 C23 H35 N13 O4 " [ C23 H35 N13 O4, mfg=74.74, tgt=, overall=74.74 ]" "(558.2999, 1755.4158)(559.3041, 609.9429)" C23 H35 N13 O4 FindByFormula + 557.2948 0.752 C23 H35 N15 O4 " [ C23 H35 N15 O4, mfg=95.01, tgt=, overall=95.01 ]" "(586.3077, 44726.547)(587.3104, 13743.369)(588.30774, 3390.7532)(589.3073, 753.92285)" C23 H35 N15 O4 FindByFormula + 585.2982 14.781613 C23 H35 N15 O4 + 14.791233 " [ C23 H35 N15 O4, mfg=95.55, tgt=, overall=95.55 ]" "(586.30774, 47558.16)(587.3106, 14596.293)(588.3083, 3540.7139)(589.307, 631.6996)" C23 H35 N15 O4 + 14.791233 FindByFormula + 585.2996 14.791233 C23 H35 N21 O2 " [ C23 H35 N21 O2, mfg=67.60, tgt=, overall=67.60 ]" "(636.323, 2772.6199)(637.32184, 1100.425)" C23 H35 N21 O2 FindByFormula - 637.3293 7.6565 C23 H36 N16 O2 " [ C23 H36 N16 O2, mfg=72.00, tgt=, overall=72.00 ]" "(567.3146, 1481.895)(568.317, 563.88)" C23 H36 N16 O2 FindByFormula - 568.3229 11.047 C23 H36 N24 " [ C23 H36 N24, mfg=66.00, tgt=, overall=66.00 ]" "(649.3634, 1768.1649)(650.362, 773.49)(671.3472, 1206.53)(672.3435, 75.08)" C23 H36 N24 FindByFormula + 648.3568 2.74 C23 H37 N13 O " [ C23 H37 N13 O, mfg=69.86, tgt=, overall=69.86 ]" "(512.3311, 435.44)(513.3391, 144.98001)" C23 H37 N13 O FindByFormula + 511.3272 11.904499 C23 H37 N15 O10 S " [ C23 H37 N15 O10 S, mfg=96.01, tgt=, overall=96.01 ]" "(716.265, 16707.273)(717.2679, 5427.4023)(718.2624, 2088.6543)(719.261, 674.2207)(738.2489, 720.41675)(739.25214, 300.17734)(740.2469, 345.52814)(741.2332, 244.79)" C23 H37 N15 O10 S FindByFormula + 715.2594 14.779344 C23 H37 N15 O10 S + 14.774627 " [ C23 H37 N15 O10 S, mfg=95.76, tgt=, overall=95.76 ]" "(716.2649, 15969.379)(717.2676, 5253.354)(718.2619, 2065.7683)(719.2588, 638.60754)(738.24915, 694.65234)(739.2562, 240.065)(740.2358, 232.81)(741.229, 55.7)" C23 H37 N15 O10 S + 14.774627 FindByFormula + 715.2548 14.774627 C23 H37 N15 O3 " [ C23 H37 N15 O3, mfg=71.01, tgt=, overall=71.01 ]" "(572.33, 2815.585)(573.3258, 852.59247)(594.3044, 1189.11)(595.3134, 422.7233)" C23 H37 N15 O3 FindByFormula + 571.3193 1.036 C23 H38 Cl N13 " [ C23 H38 Cl N13, mfg=83.81, tgt=, overall=83.81 ]" "(530.2983, 1532.8666)(531.3007, 527.94165)(532.2979, 574.75336)" C23 H38 Cl N13 FindByFormula - 531.3047 14.785333 C23 H38 N16 O " [ C23 H38 N16 O, mfg=82.67, tgt=, overall=82.67 ]" "(589.3117, 3505.4766)(590.314, 1273.2434)(591.30865, 1276.1066)(553.3301, 1022.66)" C23 H38 N16 O FindByFormula - 554.3415 11.127 C23 H38 N6 O4 " [ C23 H38 N6 O4, mfg=73.74, tgt=, overall=73.74 ]" "(463.2992, 3580.8647)(485.28455, 3916.435)(486.28644, 1357.45)" C23 H38 N6 O4 FindByFormula + 462.2942 2.9055 C23 H38 N6 O4 + 17.635714 " [ C23 H38 N6 O4, mfg=98.30, tgt=, overall=98.30 ]" "(463.30225, 789224.6)(464.306, 201887.62)(465.30844, 37017.883)(466.31766, 12351.446)(467.32574, 2609.116)" C23 H38 N6 O4 + 17.635714 FindByFormula + 462.295 17.635714 C23 H38 N6 O4 + 17.8325 " [ C23 H38 N6 O4, mfg=99.30, tgt=, overall=99.30 ]" "(463.30273, 130381.17)(464.3058, 38264.98)(465.30872, 6079.425)" C23 H38 N6 O4 + 17.8325 FindByFormula + 462.2958 17.8325 C23 H38 N6 O4 + 29.622501 " [ C23 H38 N6 O4, mfg=73.93, tgt=, overall=73.93 ]" "(463.30237, 1302.4874)(464.30557, 458.08)" C23 H38 N6 O4 + 29.622501 FindByFormula + 462.2945 29.622501 C23 H38 N8 O9 " [ C23 H38 N8 O9, mfg=89.07, tgt=, overall=89.07 ]" "(569.2688, 2092.7034)(570.27325, 586.4167)(571.2765, 233.01498)" C23 H38 N8 O9 FindByFormula - 570.2748 14.525333 C23 H38 O11 " [ C23 H38 O11, mfg=77.27, tgt=, overall=77.27 ]" "(491.24957, 7308.785)(492.2536, 1605.1951)" C23 H38 O11 FindByFormula + 490.2415 1.12 C23 H39 N3 O5 " [ C23 H39 N3 O5, mfg=96.61, tgt=, overall=96.61 ]" "(873.5643, 1085.4133)(874.5671, 784.44995)(436.28085, 45118.934)(437.2838, 10898.061)(438.29022, 1853.8934)" C23 H39 N3 O5 FindByFormula - 437.2865 15.177239 C23 H39 N3 O6 " [ C23 H39 N3 O6, mfg=96.67, tgt=, overall=96.67 ]" "(452.27573, 28704.74)(453.2789, 6902.9683)(454.27988, 1224.945)" C23 H39 N3 O6 FindByFormula - 453.2823 14.53371 C23 H4 N4 O12 " [ C23 H4 N4 O12, mfg=63.59, tgt=, overall=63.59 ]" "(528.99304, 2292.21)(529.989, 540.365)" C23 H4 N4 O12 FindByFormula + 527.982 6.446 C23 H4 O10 " [ C23 H4 O10, mfg=66.18, tgt=, overall=66.18 ]" "(440.99008, 1078.4366)(441.9918, 320.5533)" C23 H4 O10 FindByFormula + 439.9806 4.4156666 C23 H40 N10 O7 " [ C23 H40 N10 O7, mfg=97.30, tgt=, overall=97.30 ]" "(1137.6353, 181.18666)(569.31616, 56538.137)(570.31866, 15360.856)(571.3211, 3532.1768)(572.3268, 1157.5249)" C23 H40 N10 O7 FindByFormula + 568.3051 7.9426847 C23 H40 N12 O3 " [ C23 H40 N12 O3, mfg=71.97, tgt=, overall=71.97 ]" "(533.3415, 5509.7124)(534.3419, 1948.98)" C23 H40 N12 O3 FindByFormula + 532.3366 9.589 C23 H40 N6 O4 " [ C23 H40 N6 O4, mfg=95.24, tgt=, overall=95.24 ]" "(463.30347, 2064.5674)(464.30518, 590.515)(465.3154, 42.31)" C23 H40 N6 O4 FindByFormula - 464.3121 11.231999 C23 H40 N8 O9 " [ C23 H40 N8 O9, mfg=97.86, tgt=, overall=97.86 ]" "(571.2851, 16455.979)(572.28845, 4634.5845)(573.2908, 1159.9045)(574.2939, 344.68002)" C23 H40 N8 O9 FindByFormula - 572.2937 16.6615 C23 H40 N8 O9 - 16.659468 " [ C23 H40 N8 O9, mfg=97.53, tgt=, overall=97.53 ]" "(571.285, 10688.754)(572.28827, 3001.0435)(573.2903, 867.13)" C23 H40 N8 O9 - 16.659468 FindByFormula - 572.2913 16.659468 C23 H40 N8 O9 - 17.229332 " [ C23 H40 N8 O9, mfg=99.17, tgt=, overall=99.17 ]" "(571.2845, 26299.969)(572.2879, 7151.14)(573.2905, 1378.94)" C23 H40 N8 O9 - 17.229332 FindByFormula - 572.2912 17.229332 C23 H40 N8 O9 - 17.229332 :1 " [ C23 H40 N8 O9, mfg=96.85, tgt=, overall=96.85 ]" "(571.2845, 26299.969)(572.2879, 7151.14)(573.2903, 666.825)(574.2945, 262.68)" C23 H40 N8 O9 - 17.229332 :1 FindByFormula - 572.293 17.229332 C23 H41 N " [ C23 H41 N, mfg=98.28, tgt=, overall=98.28 ]" "(332.3309, 176278.77)(333.33435, 40826.184)(334.33563, 5279.0654)(335.3287, 60.56)" C23 H41 N FindByFormula + 331.3238 15.172153 C23 H41 N + 15.171037 " [ C23 H41 N, mfg=97.59, tgt=, overall=97.59 ]" "(332.33072, 181897.11)(333.3341, 42124.973)(334.3347, 5430.05)" C23 H41 N + 15.171037 FindByFormula + 331.3234 15.171037 C23 H41 N O " [ C23 H41 N O, mfg=93.85, tgt=, overall=93.85 ]" "(348.32593, 10967.03)(349.3281, 2894.595)(350.331, 773.81)" C23 H41 N O FindByFormula + 347.3189 14.1655 C23 H41 N13 O4 S2 " [ C23 H41 N13 O4 S2, mfg=91.36, tgt=, overall=91.36 ]" "(628.29083, 2925.62)(629.2954, 928.345)(630.28674, 367.16498)(631.2831, 39.06)" C23 H41 N13 O4 S2 FindByFormula + 627.2811 14.029501 C23 H41 N21 O3 " [ C23 H41 N21 O3, mfg=68.12, tgt=, overall=68.12 ]" "(658.364, 1387.27)(659.36255, 557.905)" C23 H41 N21 O3 FindByFormula - 659.3706 8.297 C23 H41 N7 O2 " [ C23 H41 N7 O2, mfg=75.78, tgt=, overall=75.78 ]" "(448.33984, 3583.6133)(449.34152, 1218.8433)" C23 H41 N7 O2 FindByFormula + 447.3325 15.305001 C23 H41 N7 O6 S2 " [ C23 H41 N7 O6 S2, mfg=92.70, tgt=, overall=92.70 ]" "(576.2626, 5370.12)(577.2668, 1398.23)(578.26086, 559.69)" C23 H41 N7 O6 S2 FindByFormula + 575.2544 15.7695 C23 H41 N9 O3 " [ C23 H41 N9 O3, mfg=78.14, tgt=, overall=78.14 ]" "(490.3254, 2446.07)(491.32922, 793.045)" C23 H41 N9 O3 FindByFormula - 491.3324 18.043 C23 H42 N8 O3 " [ C23 H42 N8 O3, mfg=70.05, tgt=, overall=70.05 ]" "(479.3452, 894.3433)(480.3488, 344.17334)" C23 H42 N8 O3 FindByFormula + 478.3385 22.012335 C23 H43 Cl2 N11 S " [ C23 H43 Cl2 N11 S, mfg=70.92, tgt=, overall=70.92 ]" "(576.2829, 2026.77)(577.2854, 636.55)(578.2907, 1635.8966)(579.2968, 512.68335)" C23 H43 Cl2 N11 S FindByFormula + 575.2762 14.777333 C23 H43 N O2 " [ C23 H43 N O2, mfg=93.29, tgt=, overall=93.29 ]" "(366.33755, 8210.08)(367.3419, 2071.915)(368.34665, 404.06)" C23 H43 N O2 FindByFormula + 365.3303 14.629 C23 H43 N O4 " [ C23 H43 N O4, mfg=96.61, tgt=, overall=96.61 ]" "(398.32568, 11234.364)(399.32922, 3001.832)(400.3309, 712.1884)(436.276, 129.455)(420.3112, 1262.2325)(421.31125, 344.55002)" C23 H43 N O4 FindByFormula + 397.3193 13.71961 C23 H43 N O4 + 13.681533 " [ C23 H43 N O4, mfg=93.18, tgt=, overall=93.18 ]" "(398.32483, 9015.181)(399.3287, 2407.735)(400.3311, 482.312)(420.3124, 63.34)" C23 H43 N O4 + 13.681533 FindByFormula + 397.317 13.681533 C23 H43 N O4 + 13.690476 " [ C23 H43 N O4, mfg=96.41, tgt=, overall=96.41 ]" "(398.32535, 10905.463)(399.329, 2884.9329)(400.3309, 546.5319)(420.30966, 666.1675)(421.31134, 262.852)" C23 H43 N O4 + 13.690476 FindByFormula + 397.3178 13.690476 C23 H43 N O4 + 13.705334 " [ C23 H43 N O4, mfg=98.19, tgt=, overall=98.19 ]" "(398.3259, 11479.051)(399.32895, 3120.92)(400.33197, 593.855)(436.286, 299.85)(420.31213, 1256.7316)(421.30994, 346.91907)" C23 H43 N O4 + 13.705334 FindByFormula + 397.3197 13.705334 C23 H43 N O4 + 13.712438 " [ C23 H43 N O4, mfg=96.01, tgt=, overall=96.01 ]" "(398.32535, 12027.097)(399.32935, 3241.2136)(400.3314, 687.645)(420.3124, 1121.12)(421.3229, 122.73)" C23 H43 N O4 + 13.712438 FindByFormula + 397.3174 13.712438 C23 H43 N S3 " [ C23 H43 N S3, mfg=73.51, tgt=, overall=73.51 ]" "(430.26422, 9348.189)(431.26074, 2201.385)(432.25635, 1877.79)(452.24875, 5246.8)(453.2475, 2323.485)(454.24823, 547.76)" C23 H43 N S3 FindByFormula + 429.2583 7.229 C23 H43 N25 O S " [ C23 H43 N25 O S, mfg=94.72, tgt=, overall=94.72 ]" "(718.3885, 10644.216)(719.38776, 3941.5981)(720.388, 1021.79395)(740.3804, 5270.36)" C23 H43 N25 O S FindByFormula + 717.3845 8.0826 C23 H43 N3 O14 S2 " [ C23 H43 N3 O14 S2, mfg=81.91, tgt=, overall=81.91 ]" "(650.2273, 2358.796)(651.2322, 732.4089)(652.21747, 480.82114)(653.2408, 310.29)(672.21063, 857.2728)(673.2072, 440.62)(674.1894, 114.21)" C23 H43 N3 O14 S2 FindByFormula + 649.2192 16.813 C23 H43 N5 O7 S " [ C23 H43 N5 O7 S, mfg=96.79, tgt=, overall=96.79 ]" "(267.64948, 23486.63)(268.15076, 6646.2886)(268.6515, 1507.7085)(534.2955, 53731.953)(535.2993, 15001.022)(536.29694, 6792.5073)(537.2976, 1937.3015)" C23 H43 N5 O7 S FindByFormula + 533.2844 14.784389 C23 H43 N5 O7 S + 14.780933 " [ C23 H43 N5 O7 S, mfg=95.80, tgt=, overall=95.80 ]" "(267.6519, 46774.94)(268.1534, 12943.46)(268.6556, 2991.07)(534.2958, 57744.824)(535.3, 15904.665)(536.29736, 7190.155)(537.2977, 1984.4219)" C23 H43 N5 O7 S + 14.780933 FindByFormula + 533.2896 14.780933 C23 H43 N5 O7 S + 14.784389 " [ C23 H43 N5 O7 S, mfg=96.60, tgt=, overall=96.60 ]" "(267.64948, 23526.104)(268.1508, 6656.796)(268.65152, 1511.5282)(269.1519, 408.23645)(534.29553, 53782.74)(535.29944, 14985.307)(536.2969, 6790.876)(537.29755, 1956.2926)" C23 H43 N5 O7 S + 14.784389 FindByFormula + 533.2868 14.784389 C23 H43 N7 O3 " [ C23 H43 N7 O3, mfg=67.79, tgt=, overall=67.79 ]" "(466.34937, 3353.51)(467.35306, 1330.3068)" C23 H43 N7 O3 FindByFormula + 465.3439 14.616666 C23 H43 N7 O9 " [ C23 H43 N7 O9, mfg=94.94, tgt=, overall=94.94 ]" "(281.66446, 8267.294)(282.16592, 2473.6582)(282.66708, 567.6911)(562.3255, 18517.178)(563.3326, 5487.916)(564.32715, 2266.1973)(565.33484, 1066.2456)" C23 H43 N7 O9 FindByFormula + 561.3177 17.263474 C23 H43 N9 O4 S " [ C23 H43 N9 O4 S, mfg=87.38, tgt=, overall=87.38 ]" "(271.66104, 563.17285)(272.16122, 217.34859)(272.66394, 91.75833)(542.32153, 53349.883)(543.3245, 16012.406)(544.3355, 7053.9053)(545.33984, 1769.3563)" C23 H43 N9 O4 S FindByFormula + 541.3151 14.045267 C23 H43 N9 O4 S + 13.805726 " [ C23 H43 N9 O4 S, mfg=87.08, tgt=, overall=87.08 ]" "(271.6588, 537.55)(272.16132, 275.66)(272.66107, 97.87)(542.32135, 24269.12)(543.32416, 7512.986)(544.3316, 3207.542)(545.3383, 1032.6012)" C23 H43 N9 O4 S + 13.805726 FindByFormula + 541.3143 13.805726 C23 H43 N9 O4 S + 14.080001 " [ C23 H43 N9 O4 S, mfg=89.40, tgt=, overall=89.40 ]" "(271.6605, 355.78)(272.1576, 122.24)(272.6506, 43.74)(542.3213, 49915.863)(543.3242, 15238.77)(544.3349, 5194.453)(545.3384, 1624.31)" C23 H43 N9 O4 S + 14.080001 FindByFormula + 541.3144 14.080001 C23 H43 N9 O5 " [ C23 H43 N9 O5, mfg=79.25, tgt=, overall=79.25 ]" "(524.3309, 3383.6667)(525.33264, 1002.64496)" C23 H43 N9 O5 FindByFormula - 525.3359 15.527167 C23 H43 N9 O6 " [ C23 H43 N9 O6, mfg=98.07, tgt=, overall=98.07 ]" "(540.32715, 21443.062)(541.3303, 6156.1064)(542.3324, 1275.1699)(543.33264, 325.20752)" C23 H43 N9 O6 FindByFormula - 541.3344 14.782295 C23 H44 N10 O3 S " [ C23 H44 N10 O3 S, mfg=85.44, tgt=, overall=85.44 ]" "(539.3231, 6272.35)(540.3275, 1743.195)(541.3373, 714.865)" C23 H44 N10 O3 S FindByFormula - 540.3311 7.89 C23 H45 N O2 " [ C23 H45 N O2, mfg=93.77, tgt=, overall=93.77 ]" "(368.35257, 7204.2524)(369.35568, 1970.5399)(370.35495, 500.36752)" C23 H45 N O2 FindByFormula + 367.3434 16.049356 C23 H45 N O4 " [ C23 H45 N O4, mfg=97.97, tgt=, overall=97.97 ]" "(400.34222, 62605.902)(401.34525, 16906.752)(402.35275, 2688.81)(438.29715, 733.6864)(439.2977, 268.34915)(422.32373, 8381.786)(423.32687, 2411.2654)(424.3348, 666.08203)" C23 H45 N O4 FindByFormula + 399.3343 14.859226 C23 H45 N O4 + 14.850863 " [ C23 H45 N O4, mfg=98.55, tgt=, overall=98.55 ]" "(400.3424, 62104.906)(401.34534, 16814.91)(402.3517, 2131.97)(422.3231, 7758.8)(423.328, 2075.79)(424.3355, 597.74)" C23 H45 N O4 + 14.850863 FindByFormula + 399.3359 14.850863 C23 H45 N O4 + 14.852104 " [ C23 H45 N O4, mfg=82.45, tgt=, overall=82.45 ]" "(400.34247, 60120.05)(401.34537, 16270.832)" C23 H45 N O4 + 14.852104 FindByFormula + 399.336 14.852104 C23 H45 N O4 + 14.855532 " [ C23 H45 N O4, mfg=97.85, tgt=, overall=97.85 ]" "(799.6758, 367.9078)(800.68463, 196.6125)(400.34244, 60467.684)(401.34543, 16321.175)(402.35278, 2526.881)(438.29742, 752.0161)(439.2977, 265.93497)(422.32364, 8041.835)(423.32693, 2381.4365)(424.33444, 679.8528)" C23 H45 N O4 + 14.855532 FindByFormula + 399.3341 14.855532 C23 H45 N O5 " [ C23 H45 N O5, mfg=98.93, tgt=, overall=98.93 ]" "(831.6678, 154.06)(416.3368, 30533.441)(417.33963, 8201.203)(418.34216, 1555.6436)(419.33704, 496.6625)(454.28815, 1148.5625)(438.31512, 7267.1567)(439.3185, 1965.5757)(440.31586, 301.38376)" C23 H45 N O5 FindByFormula + 415.3297 12.938348 C23 H45 N O5 + 12.934179 " [ C23 H45 N O5, mfg=98.10, tgt=, overall=98.10 ]" "(416.33664, 30289.822)(417.3393, 8183.48)(418.34143, 1475.563)(454.2856, 536.71)(438.31366, 7078.097)(439.3152, 1757.6873)(440.3108, 175.366)" C23 H45 N O5 + 12.934179 FindByFormula + 415.3293 12.934179 C23 H45 N O5 + 12.942201 " [ C23 H45 N O5, mfg=99.07, tgt=, overall=99.07 ]" "(416.33694, 29865.863)(417.33972, 8043.2285)(418.34213, 1474.294)(419.3361, 511.4275)(454.28857, 993.86835)(438.31638, 6338.0474)(439.32123, 1936.5691)(440.3237, 717.79504)" C23 H45 N O5 + 12.942201 FindByFormula + 415.3298 12.942201 C23 H45 N7 O17 S " [ C23 H45 N7 O17 S, mfg=85.31, tgt=, overall=85.31 ]" "(362.6386, 2211.435)(363.139, 601.615)(363.6337, 224.85)(724.26917, 939.10004)(725.2772, 752.56)(746.25214, 3312.75)(747.25256, 1311.685)(748.2384, 706.34)" C23 H45 N7 O17 S FindByFormula + 723.2607 6.9680004 C23 H45 N7 O2 " [ C23 H45 N7 O2, mfg=78.41, tgt=, overall=78.41 ]" "(452.37006, 3185.5378)(453.37283, 1024.9708)" C23 H45 N7 O2 FindByFormula + 451.3618 16.04477 C23 H45 N7 O2 + 15.594916 " [ C23 H45 N7 O2, mfg=72.12, tgt=, overall=72.12 ]" "(452.37033, 1514.3384)(453.37198, 540.2442)" C23 H45 N7 O2 + 15.594916 FindByFormula + 451.3604 15.594916 C23 H45 N7 O2 + 15.837382 " [ C23 H45 N7 O2, mfg=79.03, tgt=, overall=79.03 ]" "(452.371, 2308.5073)(453.37393, 748.94574)(474.3536, 116.73)" C23 H45 N7 O2 + 15.837382 FindByFormula + 451.3635 15.837382 C23 H45 N7 O2 + 15.992 " [ C23 H45 N7 O2, mfg=71.11, tgt=, overall=71.11 ]" "(452.37134, 3561.745)(453.37268, 1306.7849)" C23 H45 N7 O2 + 15.992 FindByFormula + 451.3624 15.992 C23 H45 N7 O2 + 16.00043 " [ C23 H45 N7 O2, mfg=78.30, tgt=, overall=78.30 ]" "(452.37115, 4362.6455)(453.37363, 1434.0115)" C23 H45 N7 O2 + 16.00043 FindByFormula + 451.3637 16.00043 C23 H45 N7 O2 + 16.029615 " [ C23 H45 N7 O2, mfg=78.47, tgt=, overall=78.47 ]" "(452.37027, 2916.6208)(453.37347, 951.9899)" C23 H45 N7 O2 + 16.029615 FindByFormula + 451.3631 16.029615 C23 H45 N7 O2 + 16.144999 " [ C23 H45 N7 O2, mfg=80.80, tgt=, overall=80.80 ]" "(452.37146, 1952.9017)(453.37402, 588.5984)" C23 H45 N7 O2 + 16.144999 FindByFormula + 451.364 16.144999 C23 H46 N14 O8 S " [ C23 H46 N14 O8 S, mfg=94.56, tgt=, overall=94.56 ]" "(677.32666, 851.57)(678.33093, 283.89502)(679.3279, 119.165)" C23 H46 N14 O8 S FindByFormula - 678.337 7.837 C23 H47 N O4 " [ C23 H47 N O4, mfg=80.40, tgt=, overall=80.40 ]" "(402.35773, 1590.6113)(403.35995, 448.03876)" C23 H47 N O4 FindByFormula + 401.3499 26.572124 C23 H47 N O4 + 14.618124 " [ C23 H47 N O4, mfg=79.93, tgt=, overall=79.93 ]" "(402.35788, 2783.12)(403.35965, 768.52374)" C23 H47 N O4 + 14.618124 FindByFormula + 401.3515 14.618124 C23 H47 N O4 + 14.621101 " [ C23 H47 N O4, mfg=80.60, tgt=, overall=80.60 ]" "(402.35754, 3002.769)(403.3598, 830.313)" C23 H47 N O4 + 14.621101 FindByFormula + 401.3508 14.621101 C23 H47 N5 O2 S2 " [ C23 H47 N5 O2 S2, mfg=93.25, tgt=, overall=93.25 ]" "(490.32428, 4390.1997)(491.32632, 1264.6178)(492.32382, 385.03)(512.3058, 2679.37)" C23 H47 N5 O2 S2 FindByFormula + 489.3173 17.485384 C23 H47 N5 O21 " [ C23 H47 N5 O21, mfg=86.20, tgt=, overall=86.20 ]" "(730.285, 5757.8403)(731.28516, 1524.1517)(732.276, 497.496)(768.23895, 1664.9717)(769.24225, 431.83835)(752.2644, 15937.06)(753.26904, 5827.5513)(754.2693, 2004.2451)(755.2744, 397.13602)" C23 H47 N5 O21 FindByFormula + 729.2765 6.9585 C23 H47 N5 O8 " [ C23 H47 N5 O8, mfg=91.23, tgt=, overall=91.23 ]" "(522.3496, 10379.692)(523.35114, 2576.46)(524.3669, 441.73666)" C23 H47 N5 O8 FindByFormula + 521.3443 18.679749 C23 H47 N7 O3 " [ C23 H47 N7 O3, mfg=92.42, tgt=, overall=92.42 ]" "(470.38162, 4146.7334)(471.3835, 1337.837)(472.3875, 51.03)(492.362, 942.72595)" C23 H47 N7 O3 FindByFormula + 469.3738 15.036614 C23 H47 N7 O3 + 15.009365 " [ C23 H47 N7 O3, mfg=95.27, tgt=, overall=95.27 ]" "(470.38174, 4920.9155)(471.3842, 1594.3555)(472.3894, 160.01)(492.36264, 1038.7012)(493.3768, 233.065)" C23 H47 N7 O3 + 15.009365 FindByFormula + 469.3755 15.009365 C23 H48 N2 O9 " [ C23 H48 N2 O9, mfg=75.86, tgt=, overall=75.86 ]" "(497.3432, 76988.875)(498.34616, 14889.7295)" C23 H48 N2 O9 FindByFormula + 496.3352 14.768142 C23 H48 N20 O S3 " [ C23 H48 N20 O S3, mfg=97.18, tgt=, overall=97.18 ]" "(717.355, 4271.41)(718.3569, 1462.865)(719.35626, 811.255)(720.3433, 255.01)" C23 H48 N20 O S3 FindByFormula + 716.3482 1.496 C23 H48 N4 O13 S " [ C23 H48 N4 O13 S, mfg=73.87, tgt=, overall=73.87 ]" "(621.3006, 384.04498)(622.2991, 259.73)(623.2973, 155.95)(643.282, 602.01)(644.287, 94.52)(645.2845, 100.06)" C23 H48 N4 O13 S FindByFormula + 620.293 18.339 C23 H48 N8 O S " [ C23 H48 N8 O S, mfg=55.31, tgt=, overall=55.31 ]" "(485.37885, 3784.025)(486.3744, 1651.1)(487.36243, 1084.86)" C23 H48 N8 O S FindByFormula + 484.3732 23.786499 C23 H49 N O14 " [ C23 H49 N O14, mfg=47.61, tgt=, overall=47.61 ]" "(1127.6274, 9785.266)(1128.6313, 7767.7646)(1129.6338, 3603.945)(1130.6293, 594.11)(1149.6113, 1621.3301)(1150.5984, 847.935)(1151.5978, 459.0)(564.32263, 15518.01)" C23 H49 N O14 FindByFormula + 563.3122 7.671 C23 H49 N19 O3 " [ C23 H49 N19 O3, mfg=70.34, tgt=, overall=70.34 ]" "(320.7246, 438.4)(321.2257, 205.19)(640.4338, 2821.38)(641.4387, 1604.52)(662.4144, 2140.51)(663.4232, 592.38)" C23 H49 N19 O3 FindByFormula + 639.4298 7.3235 C23 H49 N3 O " [ C23 H49 N3 O, mfg=92.76, tgt=, overall=92.76 ]" "(384.3945, 5827.9307)(385.3979, 1923.2349)(386.3986, 329.90802)" C23 H49 N3 O FindByFormula + 383.3856 9.984125 C23 H49 N3 O + 10.0058 " [ C23 H49 N3 O, mfg=97.08, tgt=, overall=97.08 ]" "(384.39404, 7053.5234)(385.39795, 1990.4199)(386.3986, 329.90802)" C23 H49 N3 O + 10.0058 FindByFormula + 383.3852 10.0058 C23 H49 N5 O8 " [ C23 H49 N5 O8, mfg=72.16, tgt=, overall=72.16 ]" "(524.3699, 1162.03)(525.3687, 301.42752)(546.3487, 1619.87)(547.3469, 394.04)" C23 H49 N5 O8 FindByFormula + 523.3606 20.03775 C23 H49 N7 O " [ C23 H49 N7 O, mfg=56.46, tgt=, overall=56.46 ]" "(440.40884, 1303.6299)(441.40765, 573.7514)" C23 H49 N7 O FindByFormula + 439.4002 15.863571 C23 H50 Cl N3 O17 S " [ C23 H50 Cl N3 O17 S, mfg=75.85, tgt=, overall=75.85 ]" "(708.2614, 3925.017)(709.26587, 1607.0938)(710.2614, 2120.8389)(711.26215, 1090.7433)(712.26196, 457.62402)" C23 H50 Cl N3 O17 S FindByFormula + 707.2541 26.099543 C23 H51 N11 O8 " [ C23 H51 N11 O8, mfg=87.41, tgt=, overall=87.41 ]" "(610.4, 5817.1113)(611.3996, 1303.2246)(612.40356, 310.2254)" C23 H51 N11 O8 FindByFormula + 609.3923 18.19863 C23 H51 N11 O9 " [ C23 H51 N11 O9, mfg=79.29, tgt=, overall=79.29 ]" "(626.3944, 4212.1494)(627.3973, 1189.1741)" C23 H51 N11 O9 FindByFormula + 625.3875 15.904 C23 H51 N5 O7 S " [ C23 H51 N5 O7 S, mfg=82.72, tgt=, overall=82.72 ]" "(540.34344, 2176.3625)(541.3496, 606.02496)(542.3359, 271.56)" C23 H51 N5 O7 S FindByFormula - 541.3511 8.785 C23 H51 N7 O2 " [ C23 H51 N7 O2, mfg=79.15, tgt=, overall=79.15 ]" "(458.4168, 1882.3849)(459.4211, 805.965)(480.39972, 3440.2974)(481.40204, 1192.2179)(482.39716, 381.94)" C23 H51 N7 O2 FindByFormula + 457.409 17.790949 C23 H51 N7 O2 + 17.823 " [ C23 H51 N7 O2, mfg=69.71, tgt=, overall=69.71 ]" "(458.41846, 1377.7233)(459.41953, 571.86)(480.3998, 3056.4133)(481.4041, 1327.97)(482.39642, 333.615)" C23 H51 N7 O2 + 17.823 FindByFormula + 457.4118 17.823 C23 H51 N7 O2 + 17.985332 " [ C23 H51 N7 O2, mfg=90.09, tgt=, overall=90.09 ]" "(458.4197, 3214.6067)(459.42007, 1104.9867)(460.4182, 276.08)(480.40112, 6618.3433)(481.40317, 2146.57)(482.40344, 519.9667)" C23 H51 N7 O2 + 17.985332 FindByFormula + 457.4108 17.985332 C23 H51 N7 O2 + 18.038 " [ C23 H51 N7 O2, mfg=86.65, tgt=, overall=86.65 ]" "(458.4183, 1675.1191)(459.41858, 636.49664)(460.42377, 371.53)(480.401, 4604.6426)(481.40225, 1460.0074)(482.40298, 439.93417)" C23 H51 N7 O2 + 18.038 FindByFormula + 457.4112 18.038 C23 H51 N7 O2 + 18.07747 " [ C23 H51 N7 O2, mfg=89.28, tgt=, overall=89.28 ]" "(458.41833, 1626.3544)(459.4196, 728.20996)(460.4254, 112.075)(480.40118, 4277.351)(481.40372, 1378.7089)(482.4028, 333.91824)" C23 H51 N7 O2 + 18.07747 FindByFormula + 457.4114 18.07747 C23 H52 N12 O5 S " [ C23 H52 N12 O5 S, mfg=95.39, tgt=, overall=95.39 ]" "(609.3965, 16635.713)(610.40015, 5683.32)(611.3987, 1549.4336)(612.39886, 542.99664)" C23 H52 N12 O5 S FindByFormula + 608.3892 18.476545 C23 H54 N20 O7 " [ C23 H54 N20 O7, mfg=73.88, tgt=, overall=73.88 ]" "(721.4409, 4085.5967)(722.4434, 1549.2601)" C23 H54 N20 O7 FindByFormula - 722.4529 7.1053333 C23 H7 Cl O10 S5 " [ C23 H7 Cl O10 S5, mfg=47.62, tgt=, overall=47.62 ]" "(1276.6537, 3834.1199)(1277.668, 3380.955)(1278.6632, 1414.335)(638.8404, 1459.505)" C23 H7 Cl O10 S5 FindByFormula + 637.8262 7.0264997 C23 O3 S4 " [ C23 O3 S4, mfg=79.74, tgt=, overall=79.74 ]" "(452.88168, 1569.9)(453.88116, 457.25)(454.87585, 267.95248)" C23 O3 S4 FindByFormula + 451.8746 0.2775 C23 O3 S4 + 0.6605 " [ C23 O3 S4, mfg=87.65, tgt=, overall=87.65 ]" "(452.88135, 3258.0874)(453.8818, 870.91754)(454.877, 763.48)" C23 O3 S4 + 0.6605 FindByFormula + 451.8747 0.6605 C23 O3 S4 + 0.70355546 " [ C23 O3 S4, mfg=85.13, tgt=, overall=85.13 ]" "(452.88147, 3684.169)(453.881, 878.0078)(454.87708, 745.36005)" C23 O3 S4 + 0.70355546 FindByFormula + 451.8749 0.70355546 C24 H11 N O22 " [ C24 H11 N O22, mfg=82.52, tgt=, overall=82.52 ]" "(1352.9319, 1698.7125)(1353.9452, 1052.92)(1354.9397, 589.375)(665.9794, 1883.745)(666.9853, 294.505)(668.0, 159.91)(703.93695, 2726.8699)(704.9354, 1028.355)(705.9331, 489.44662)(687.96387, 20220.863)(688.9653, 4447.018)(689.96954, 1104.3234)" C24 H11 N O22 FindByFormula + 664.9745 6.8589997 C24 H14 N8 O7 " [ C24 H14 N8 O7, mfg=73.28, tgt=, overall=73.28 ]" "(527.10565, 2373.79)(528.10974, 835.785)" C24 H14 N8 O7 FindByFormula + 526.0975 9.7565 C24 H17 N11 O7 " [ C24 H17 N11 O7, mfg=94.59, tgt=, overall=94.59 ]" "(1181.2153, 169.195)(1166.754, 373.88168)(1167.2618, 267.4)(286.5744, 568.838)(287.07587, 140.99399)(572.13806, 6089.833)(573.1406, 2105.8552)(574.14606, 514.0278)(594.12756, 970.1145)" C24 H17 N11 O7 FindByFormula + 571.131 1.9436924 C24 H20 N8 O16 " [ C24 H20 N8 O16, mfg=93.78, tgt=, overall=93.78 ]" "(675.09326, 4946.0835)(676.0968, 1217.0267)(677.10016, 326.83)" C24 H20 N8 O16 FindByFormula - 676.0986 1.2433333 C24 H21 N13 O2 S " [ C24 H21 N13 O2 S, mfg=97.70, tgt=, overall=97.70 ]" "(1149.5516, 1104.5239)(1150.2794, 877.0427)(1133.3079, 808.79004)(556.1683, 2296.1233)(557.16693, 960.0918)(558.16437, 424.9767)(594.1285, 994.48944)(595.1278, 321.47556)(596.1265, 231.98999)(578.1551, 7364.2866)(579.1577, 2512.4004)(580.1562, 739.9464)" C24 H21 N13 O2 S FindByFormula + 555.1675 1.9430437 C24 H22 N4 O " [ C24 H22 N4 O, mfg=89.89, tgt=, overall=89.89 ]" "(381.1718, 5284.118)(382.17377, 1679.9404)(383.17462, 415.68002)" C24 H22 N4 O FindByFormula - 382.1779 22.405333 C24 H22 N4 O - 22.403187 " [ C24 H22 N4 O, mfg=77.79, tgt=, overall=77.79 ]" "(381.17178, 5936.6016)(382.1738, 1905.9)" C24 H22 N4 O - 22.403187 FindByFormula - 382.1802 22.403187 C24 H22 N4 O - 22.823 " [ C24 H22 N4 O, mfg=71.32, tgt=, overall=71.32 ]" "(381.1719, 2312.79)(382.1729, 795.49)" C24 H22 N4 O - 22.823 FindByFormula - 382.18 22.823 C24 H22 O9 " [ C24 H22 O9, mfg=86.37, tgt=, overall=86.37 ]" "(453.1175, 4374.8247)(454.12103, 1133.41)(455.12924, 389.21002)" C24 H22 O9 FindByFormula - 454.1269 9.142 C24 H23 N11 O10 S2 " [ C24 H23 N11 O10 S2, mfg=98.14, tgt=, overall=98.14 ]" "(690.11395, 50251.99)(691.1165, 17350.688)(692.11475, 7657.926)(693.1128, 1921.2002)(694.1048, 673.72)" C24 H23 N11 O10 S2 FindByFormula + 689.103 8.661001 C24 H23 N13 " [ C24 H23 N13, mfg=76.78, tgt=, overall=76.78 ]" "(494.22882, 7022.004)(495.22992, 2290.605)" C24 H23 N13 FindByFormula + 493.2209 9.259299 C24 H23 N9 O6 " [ C24 H23 N9 O6, mfg=82.94, tgt=, overall=82.94 ]" "(1067.3828, 158.15666)(1105.327, 451.646)(534.1905, 2044.571)(535.198, 1158.9011)(536.2003, 269.12375)(572.1394, 6786.107)(573.1414, 2230.2495)(574.14935, 583.0773)(556.16846, 3237.168)(557.16846, 1302.1123)(558.16693, 610.6625)" C24 H23 N9 O6 FindByFormula + 533.1744 1.9407223 C24 H24 N12 O " [ C24 H24 N12 O, mfg=95.73, tgt=, overall=95.73 ]" "(495.2126, 6756.091)(496.2158, 1786.7921)(497.21945, 339.45786)" C24 H24 N12 O FindByFormula - 496.2201 7.587714 C24 H26 O20 S " [ C24 H26 O20 S, mfg=53.94, tgt=, overall=53.94 ]" "(667.08026, 1271.29)(668.0884, 158.24)" C24 H26 O20 S FindByFormula + 666.0737 6.9843335 C24 H27 N19 O6 " [ C24 H27 N19 O6, mfg=75.76, tgt=, overall=75.76 ]" "(676.2312, 2320.96)(677.2344, 828.805)" C24 H27 N19 O6 FindByFormula - 677.2368 15.070749 C24 H27 N21 O " [ C24 H27 N21 O, mfg=75.94, tgt=, overall=75.94 ]" "(624.263, 2728.3845)(625.26746, 965.85724)" C24 H27 N21 O FindByFormula - 625.2632 6.9027143 C24 H27 N9 O " [ C24 H27 N9 O, mfg=72.27, tgt=, overall=72.27 ]" "(458.2394, 7845.06)(459.24957, 2008.6)" C24 H27 N9 O FindByFormula + 457.2323 1.1125 C24 H28 N18 O3 " [ C24 H28 N18 O3, mfg=79.10, tgt=, overall=79.10 ]" "(617.2661, 2994.3435)(618.2695, 964.8901)" C24 H28 N18 O3 FindByFormula + 616.2582 16.724499 C24 H28 N2 O21 " [ C24 H28 N2 O21, mfg=82.59, tgt=, overall=82.59 ]" "(1383.2236, 178.45)(1384.2115, 269.65)(681.1255, 2200.828)(682.1232, 558.92004)(683.13654, 219.68799)" C24 H28 N2 O21 FindByFormula + 680.1141 15.193399 C24 H29 N13 " [ C24 H29 N13, mfg=81.45, tgt=, overall=40.72 ]" "(500.27386, 3013.8613)(501.2769, 969.1286)(522.2569, 891.1825)(523.25714, 301.70502)" C24 H29 N13 FindByFormula + 499.2711 13.884429 C24 H30 N10 O14 " [ C24 H30 N10 O14, mfg=72.77, tgt=, overall=72.77 ]" "(683.20056, 4801.77)(684.20593, 1442.865)" C24 H30 N10 O14 FindByFormula + 682.1934 1.1955 C24 H30 N10 O5 " [ C24 H30 N10 O5, mfg=78.91, tgt=, overall=78.91 ]" "(537.232, 2868.045)(538.2342, 875.44)" C24 H30 N10 O5 FindByFormula - 538.2377 11.366 C24 H31 N13 " [ C24 H31 N13, mfg=91.09, tgt=, overall=45.55 ]" "(251.64622, 829.7643)(252.14441, 325.58286)(502.29065, 20507.617)(503.29086, 5517.5312)(504.29193, 1256.4623)(540.24493, 639.7987)(524.2724, 7479.261)(525.2799, 2256.8171)(526.2772, 406.886)" C24 H31 N13 FindByFormula + 501.2837 15.089375 C24 H32 " [ C24 H32, mfg=41.41, tgt=, overall=41.41 ]" "(321.2544, 770.725)(322.25732, 301.825)" C24 H32 FindByFormula + 320.2484 13.527 C24 H32 N24 O " [ C24 H32 N24 O, mfg=77.55, tgt=, overall=77.55 ]" "(671.313, 1682.6279)(672.3136, 530.54205)" C24 H32 N24 O FindByFormula - 672.3174 8.9096 C24 H32 N8 O4 S2 " [ C24 H32 N8 O4 S2, mfg=90.15, tgt=, overall=90.15 ]" "(1143.3713, 214.85)(561.2045, 5116.172)(562.20807, 1654.4167)(563.2119, 783.002)(564.21594, 225.37)" C24 H32 N8 O4 S2 FindByFormula + 560.1975 13.694154 C24 H32 S " [ C24 H32 S, mfg=90.68, tgt=, overall=45.34 ]" "(353.2303, 4422.9824)(354.23297, 1145.72)(355.236, 374.495)(375.2134, 4026.132)(376.21695, 1361.6511)" C24 H32 S FindByFormula + 352.2246 10.683063 C24 H33 N O6 " [ C24 H33 N O6, mfg=97.64, tgt=, overall=97.64 ]" "(432.2379, 5272.4863)(433.24213, 1551.6393)(434.24252, 298.4228)" C24 H33 N O6 FindByFormula + 431.2318 11.847556 C24 H33 N15 O2 " [ C24 H33 N15 O2, mfg=75.93, tgt=, overall=75.93 ]" "(282.6548, 937.01)(283.1616, 399.19)(564.2992, 6071.765)(565.3022, 1892.95)(586.2835, 6313.65)(587.2887, 1916.8)" C24 H33 N15 O2 FindByFormula + 563.2938 15.416333 C24 H33 N19 O2 " [ C24 H33 N19 O2, mfg=74.84, tgt=, overall=74.84 ]" "(620.313, 1810.2279)(621.3133, 637.364)" C24 H33 N19 O2 FindByFormula + 619.3084 3.3306 C24 H33 N19 O6 S " [ C24 H33 N19 O6 S, mfg=96.12, tgt=, overall=96.12 ]" "(716.26526, 17298.518)(717.26807, 5681.44)(718.26294, 2176.5789)(719.26044, 650.86884)(738.2497, 835.7825)(739.2525, 363.07895)(740.2478, 362.3694)(741.2416, 224.7025)(742.2402, 337.01)" C24 H33 N19 O6 S FindByFormula + 715.2583 14.790162 C24 H33 N3 O5 " [ C24 H33 N3 O5, mfg=80.81, tgt=, overall=80.81 ]" "(442.23425, 2280.5)(443.23758, 544.31635)" C24 H33 N3 O5 FindByFormula - 443.241 7.1816363 C24 H33 N3 O5 - 7.1872144 " [ C24 H33 N3 O5, mfg=80.55, tgt=, overall=80.55 ]" "(442.23456, 2214.953)(443.23752, 513.07)" C24 H33 N3 O5 - 7.1872144 FindByFormula - 443.2403 7.1872144 C24 H33 N3 O5 - 7.6115 " [ C24 H33 N3 O5, mfg=79.79, tgt=, overall=79.79 ]" "(442.23495, 832.92)(443.23676, 199.23001)" C24 H33 N3 O5 - 7.6115 FindByFormula - 443.2434 7.6115 C24 H33 N5 O S4 " [ C24 H33 N5 O S4, mfg=74.70, tgt=, overall=74.70 ]" "(536.1634, 1833.926)(537.16425, 848.084)(538.16254, 649.68005)" C24 H33 N5 O S4 FindByFormula + 535.1558 25.0038 C24 H33 N5 O S4 + 24.990717 " [ C24 H33 N5 O S4, mfg=74.81, tgt=, overall=74.81 ]" "(536.1637, 1692.0756)(537.1644, 804.74133)(538.1615, 565.3829)" C24 H33 N5 O S4 + 24.990717 FindByFormula + 535.1562 24.990717 C24 H34 N10 O " [ C24 H34 N10 O, mfg=70.31, tgt=, overall=70.31 ]" "(479.29688, 2607.2068)(480.30356, 862.0867)" C24 H34 N10 O FindByFormula + 478.289 15.319 C24 H34 N16 O6 " [ C24 H34 N16 O6, mfg=94.48, tgt=, overall=94.48 ]" "(643.2916, 361363.22)(644.29486, 131896.31)(645.2991, 33941.566)(646.30493, 6335.141)" C24 H34 N16 O6 FindByFormula + 642.2833 24.182133 C24 H34 N2 O3 " [ C24 H34 N2 O3, mfg=81.86, tgt=, overall=81.86 ]" "(397.24908, 3778.02)(398.2525, 908.61)" C24 H34 N2 O3 FindByFormula - 398.2553 8.024 C24 H34 N2 O8 " [ C24 H34 N2 O8, mfg=97.35, tgt=, overall=97.35 ]" "(477.22516, 3597.28)(478.2284, 918.0)(479.2312, 148.165)" C24 H34 N2 O8 FindByFormula - 478.2308 14.408501 C24 H34 N4 O7 " [ C24 H34 N4 O7, mfg=80.53, tgt=, overall=80.53 ]" "(489.2359, 3016.34)(490.23932, 781.50494)" C24 H34 N4 O7 FindByFormula - 490.2438 1.8565 C24 H34 N4 O7 - 1.8335 " [ C24 H34 N4 O7, mfg=79.88, tgt=, overall=79.88 ]" "(489.23553, 4891.015)(490.2374, 1261.975)" C24 H34 N4 O7 - 1.8335 FindByFormula - 490.2407 1.8335 C24 H35 N11 O5 " [ C24 H35 N11 O5, mfg=89.48, tgt=, overall=89.48 ]" "(1115.5828, 204.245)(279.6494, 4923.1445)(280.1518, 1379.943)(280.6522, 398.64102)(558.2955, 6389.805)(559.3009, 1867.51)(560.2995, 894.93567)(561.2997, 266.99286)" C24 H35 N11 O5 FindByFormula + 557.2864 14.012929 C24 H35 N21 " [ C24 H35 N21, mfg=78.40, tgt=, overall=78.40 ]" "(616.33185, 4601.165)(617.3345, 1616.875)" C24 H35 N21 FindByFormula - 617.3343 7.191 C24 H35 N5 O7 " [ C24 H35 N5 O7, mfg=96.60, tgt=, overall=96.60 ]" "(253.63457, 2014.7058)(254.13547, 580.27203)(254.63742, 168.0475)(506.26685, 3316.414)(507.26358, 803.92596)(508.26532, 515.45996)" C24 H35 N5 O7 FindByFormula + 505.2558 12.8328 C24 H36 N2 O5 " [ C24 H36 N2 O5, mfg=77.99, tgt=, overall=77.99 ]" "(431.2544, 3850.6)(432.25647, 1096.12)" C24 H36 N2 O5 FindByFormula - 432.2624 7.7155 C24 H36 N4 O4 S " [ C24 H36 N4 O4 S, mfg=86.46, tgt=, overall=86.46 ]" "(953.50507, 740.71497)(954.5001, 623.71)(975.4788, 2863.9858)(976.4807, 1797.1276)(977.4874, 802.90875)(978.48486, 212.50499)(477.2526, 5802.544)(478.2594, 1375.2667)(479.25522, 587.5916)(515.2054, 443.71164)(499.235, 3406.2705)(500.2371, 947.7412)(501.2355, 457.06)" C24 H36 N4 O4 S FindByFormula + 476.2463 13.651333 C24 H37 N15 O2 " [ C24 H37 N15 O2, mfg=81.14, tgt=, overall=81.14 ]" "(568.3361, 2856.9333)(569.3338, 1055.4415)(570.3383, 189.81)(590.3209, 5056.702)(591.3235, 1881.6119)" C24 H37 N15 O2 FindByFormula + 567.333 14.0148325 C24 H37 N15 O8 " [ C24 H37 N15 O8, mfg=91.87, tgt=, overall=91.87 ]" "(332.6563, 2354.155)(333.1593, 1315.95)(664.302, 5314.9)(665.3053, 1500.42)(666.3018, 60.0)(686.28253, 2509.0034)(687.28815, 891.67334)(688.2912, 465.19)" C24 H37 N15 O8 FindByFormula + 663.2965 10.231 C24 H38 N10 O5 " [ C24 H38 N10 O5, mfg=78.80, tgt=, overall=78.80 ]" "(545.29504, 8205.676)(546.2963, 2303.72)" C24 H38 N10 O5 FindByFormula - 546.3042 7.731571 C24 H38 N10 O5 - 7.1545 " [ C24 H38 N10 O5, mfg=68.97, tgt=, overall=68.97 ]" "(545.29663, 703.545)(546.2928, 233.91)" C24 H38 N10 O5 - 7.1545 FindByFormula - 546.3028 7.1545 C24 H38 N6 O3 " [ C24 H38 N6 O3, mfg=93.69, tgt=, overall=93.69 ]" "(459.30753, 4138.128)(460.30963, 1310.8749)(461.3142, 58.47)" C24 H38 N6 O3 FindByFormula + 458.3002 10.345701 C24 H38 N6 O4 " [ C24 H38 N6 O4, mfg=84.14, tgt=, overall=84.14 ]" "(475.30328, 3634.6821)(476.30096, 1270.224)(477.3098, 178.86)" C24 H38 N6 O4 FindByFormula + 474.2935 9.488401 C24 H38 N6 O5 S4 " [ C24 H38 N6 O5 S4, mfg=79.96, tgt=, overall=79.96 ]" "(619.183, 4007.77)(620.1879, 1154.7151)(621.1996, 944.48)" C24 H38 N6 O5 S4 FindByFormula + 618.1747 6.656 C24 H39 N S " [ C24 H39 N S, mfg=66.57, tgt=, overall=66.57 ]" "(374.28754, 1077.965)(375.29224, 366.235)" C24 H39 N S FindByFormula + 373.2806 10.8385 C24 H39 N13 O2 " [ C24 H39 N13 O2, mfg=97.65, tgt=, overall=97.65 ]" "(540.3278, 19513.36)(541.3308, 5555.0195)(542.33295, 1144.9083)(543.33276, 285.55545)" C24 H39 N13 O2 FindByFormula - 541.3373 14.78671 C24 H39 N3 O8 " [ C24 H39 N3 O8, mfg=95.45, tgt=, overall=95.45 ]" "(498.2861, 75.25)(499.286, 28.01)(520.2621, 43820.52)(521.2649, 11586.36)(522.2679, 3596.28)" C24 H39 N3 O8 FindByFormula + 497.2695 16.709 C24 H39 N5 O8 " [ C24 H39 N5 O8, mfg=98.68, tgt=, overall=98.68 ]" "(526.2876, 14119.773)(527.291, 3935.6494)(528.2913, 873.37646)" C24 H39 N5 O8 FindByFormula + 525.281 16.803764 C24 H39 N5 S " [ C24 H39 N5 S, mfg=92.07, tgt=, overall=92.07 ]" "(859.5793, 112.96)(897.5437, 128.055)(215.65723, 3414.4502)(216.15636, 819.2231)(430.30145, 5524.1807)(431.30243, 1477.3557)(432.30215, 372.5471)(468.26392, 313.08334)(452.28192, 2349.163)(453.28052, 804.38995)(454.2754, 239.51666)" C24 H39 N5 S FindByFormula + 429.2961 6.6760583 C24 H39 N9 O3 " [ C24 H39 N9 O3, mfg=80.41, tgt=, overall=80.41 ]" "(502.32568, 44296.89)(503.32855, 12116.43)" C24 H39 N9 O3 FindByFormula + 501.3177 15.515945 C24 H39 N9 O3 + 8.0345 " [ C24 H39 N9 O3, mfg=68.19, tgt=, overall=68.19 ]" "(502.3267, 7898.245)(503.327, 2891.8901)" C24 H39 N9 O3 + 8.0345 FindByFormula + 501.322 8.0345 C24 H4 N2 O16 " [ C24 H4 N2 O16, mfg=68.13, tgt=, overall=68.13 ]" "(576.96246, 797.55)(577.9719, 197.36334)" C24 H4 N2 O16 FindByFormula + 575.9552 4.4533334 C24 H40 N12 O " [ C24 H40 N12 O, mfg=79.82, tgt=, overall=79.82 ]" "(513.3511, 5124.1367)(514.3542, 1637.6432)" C24 H40 N12 O FindByFormula + 512.3437 22.424332 C24 H40 N14 O9 " [ C24 H40 N14 O9, mfg=76.86, tgt=, overall=76.86 ]" "(667.3026, 1322.785)(668.3063, 371.325)" C24 H40 N14 O9 FindByFormula - 668.3098 26.613998 C24 H40 N20 O3 " [ C24 H40 N20 O3, mfg=93.83, tgt=, overall=93.83 ]" "(657.3667, 45598.266)(658.36816, 14421.518)(659.3633, 3086.5825)(660.36096, 1172.315)" C24 H40 N20 O3 FindByFormula + 656.3568 8.12625 C24 H40 N6 O2 S2 " [ C24 H40 N6 O2 S2, mfg=89.67, tgt=, overall=89.67 ]" "(1039.4998, 188.13)(509.27237, 10116.874)(510.27417, 2996.133)(511.2686, 888.57666)(533.2578, 1133.15)" C24 H40 N6 O2 S2 FindByFormula + 508.2659 8.452834 C24 H40 N6 O5 " [ C24 H40 N6 O5, mfg=98.65, tgt=, overall=98.65 ]" "(493.313, 26327.951)(494.31693, 7686.8965)(495.31918, 1619.0765)" C24 H40 N6 O5 FindByFormula + 492.3057 15.946 C24 H40 N6 O5 + 15.970199 " [ C24 H40 N6 O5, mfg=98.40, tgt=, overall=98.40 ]" "(493.31268, 25232.045)(494.31656, 7421.7144)(495.3185, 1572.3701)" C24 H40 N6 O5 + 15.970199 FindByFormula + 492.3049 15.970199 C24 H40 N6 O5 + 16.11509 " [ C24 H40 N6 O5, mfg=98.91, tgt=, overall=98.91 ]" "(493.31302, 27529.863)(494.31686, 8071.605)(495.3194, 1589.8673)" C24 H40 N6 O5 + 16.11509 FindByFormula + 492.3056 16.11509 C24 H40 N6 O5 + 16.2476 " [ C24 H40 N6 O5, mfg=99.28, tgt=, overall=99.28 ]" "(493.31293, 26834.957)(494.31647, 7853.7695)(495.3194, 1479.607)" C24 H40 N6 O5 + 16.2476 FindByFormula + 492.306 16.2476 C24 H40 N6 O5 + 16.250889 " [ C24 H40 N6 O5, mfg=98.66, tgt=, overall=98.66 ]" "(493.31305, 25463.678)(494.3171, 7540.8613)(495.31918, 1351.7888)" C24 H40 N6 O5 + 16.250889 FindByFormula + 492.3062 16.250889 C24 H40 O9 " [ C24 H40 O9, mfg=70.65, tgt=, overall=70.65 ]" "(471.26144, 3037.9465)(472.2585, 852.70996)" C24 H40 O9 FindByFormula - 472.2687 6.9366665 C24 H41 N21 O2 " [ C24 H41 N21 O2, mfg=65.23, tgt=, overall=65.23 ]" "(656.3841, 36177.27)(657.38275, 15684.303)" C24 H41 N21 O2 FindByFormula + 655.3769 17.116335 C24 H41 N7 O2 " [ C24 H41 N7 O2, mfg=72.78, tgt=, overall=72.78 ]" "(460.34076, 1803.3624)(461.34308, 639.555)" C24 H41 N7 O2 FindByFormula + 459.3352 8.89725 C24 H42 N18 O3 " [ C24 H42 N18 O3, mfg=71.84, tgt=, overall=71.84 ]" "(629.3623, 1391.2725)(630.36475, 557.47754)" C24 H42 N18 O3 FindByFormula - 630.3681 23.130249 C24 H42 N6 O6 " [ C24 H42 N6 O6, mfg=56.40, tgt=, overall=56.40 ]" "(511.32184, 3154.12)(512.3301, 1356.905)" C24 H42 N6 O6 FindByFormula + 510.3165 19.0665 C24 H42 N8 O4 S2 " [ C24 H42 N8 O4 S2, mfg=85.01, tgt=, overall=85.01 ]" "(569.2693, 2481.1072)(570.273, 668.9082)(571.2785, 353.55)" C24 H42 N8 O4 S2 FindByFormula - 570.2756 14.742728 C24 H43 N11 O " [ C24 H43 N11 O, mfg=99.17, tgt=, overall=99.17 ]" "(502.3721, 26871.967)(503.37463, 8206.407)(504.3768, 1520.5691)(505.37814, 368.85364)" C24 H43 N11 O FindByFormula + 501.3654 17.420193 C24 H43 N11 O + 17.423517 " [ C24 H43 N11 O, mfg=98.50, tgt=, overall=98.50 ]" "(502.37296, 23966.059)(503.37573, 7367.58)(504.3759, 1442.1859)(505.3754, 497.04)" C24 H43 N11 O + 17.423517 FindByFormula + 501.3659 17.423517 C24 H43 N17 " [ C24 H43 N17, mfg=65.33, tgt=, overall=65.33 ]" "(570.3966, 1158.1951)(571.39484, 477.61)" C24 H43 N17 FindByFormula + 569.3908 19.9775 C24 H43 N3 O9 " [ C24 H43 N3 O9, mfg=73.37, tgt=, overall=73.37 ]" "(516.2919, 1830.9519)(517.29675, 601.126)" C24 H43 N3 O9 FindByFormula - 517.302 11.5368 C24 H43 N5 O8 S " [ C24 H43 N5 O8 S, mfg=97.24, tgt=, overall=97.24 ]" "(560.2767, 5995.924)(561.27875, 1719.5065)(562.278, 692.08887)(563.28, 304.41998)" C24 H43 N5 O8 S FindByFormula - 561.2821 9.064667 C24 H44 N10 O6 S3 " [ C24 H44 N10 O6 S3, mfg=82.18, tgt=, overall=82.18 ]" "(665.2661, 3427.3281)(666.27075, 977.1627)(667.27765, 593.46)" C24 H44 N10 O6 S3 FindByFormula + 664.2583 15.373275 C24 H44 N26 O3 " [ C24 H44 N26 O3, mfg=93.27, tgt=, overall=93.27 ]" "(1491.8271, 319.15)(1513.8722, 197.39667)(373.2184, 301.39)(373.707, 69.89)(374.2113, 25.75)(745.4179, 47740.54)(746.4177, 17940.854)(747.41693, 4331.07)(748.424, 594.63)(392.19543, 294.88)(392.6976, 137.935)(767.3967, 9138.409)(768.397, 1042.92)(769.39856, 469.62)" C24 H44 N26 O3 FindByFormula + 744.4086 7.241445 C24 H44 N4 O4 " [ C24 H44 N4 O4, mfg=92.41, tgt=, overall=92.41 ]" "(453.34183, 611.7843)(454.3495, 708.51)(475.32544, 11898.011)(476.32718, 3500.0383)(477.3256, 792.5965)(478.3352, 110.549995)" C24 H44 N4 O4 FindByFormula + 452.334 7.973353 C24 H44 O12 " [ C24 H44 O12, mfg=95.12, tgt=, overall=95.12 ]" "(525.2896, 78503.36)(526.2929, 20320.701)(527.30096, 4887.019)(528.3055, 1628.68)" C24 H44 O12 FindByFormula + 524.2828 7.8286247 C24 H45 N11 O14 S " [ C24 H45 N11 O14 S, mfg=94.62, tgt=, overall=94.62 ]" "(744.29474, 4838.548)(745.29736, 1617.9736)(746.2936, 737.1919)" C24 H45 N11 O14 S FindByFormula + 743.2901 17.238813 C24 H45 N11 O7 S " [ C24 H45 N11 O7 S, mfg=96.30, tgt=, overall=96.30 ]" "(630.3147, 7895.155)(631.3168, 2456.1602)(632.3186, 900.49)" C24 H45 N11 O7 S FindByFormula - 631.323 7.307 C24 H45 N17 O " [ C24 H45 N17 O, mfg=77.58, tgt=, overall=77.58 ]" "(588.4068, 5059.91)(589.40936, 1852.9132)" C24 H45 N17 O FindByFormula + 587.401 8.170834 C24 H45 N3 O2 S2 " [ C24 H45 N3 O2 S2, mfg=86.72, tgt=, overall=86.72 ]" "(472.301, 4692.5)(473.30566, 1547.5049)(474.29874, 521.61334)(494.28564, 1671.8824)(495.28482, 447.22665)(496.28265, 161.465)" C24 H45 N3 O2 S2 FindByFormula + 471.2947 11.60625 C24 H46 N16 O " [ C24 H46 N16 O, mfg=91.56, tgt=, overall=91.56 ]" "(575.41187, 4984.902)(576.415, 1567.7675)(577.4075, 343.93274)" C24 H46 N16 O FindByFormula + 574.4034 19.432 C24 H46 N16 O2 " [ C24 H46 N16 O2, mfg=97.80, tgt=, overall=97.80 ]" "(591.4071, 9402.692)(592.4099, 3042.8757)(593.40894, 502.31)" C24 H46 N16 O2 FindByFormula + 590.4004 16.50822 C24 H46 N2 O9 " [ C24 H46 N2 O9, mfg=99.04, tgt=, overall=49.52 ]" "(1036.6289, 140.55)(507.32748, 1513343.9)(508.33173, 420855.12)(509.33432, 80932.51)(510.3354, 12422.412)(511.33545, 1760.1752)" C24 H46 N2 O9 FindByFormula + 506.3214 17.425552 C24 H46 N4 O13 " [ C24 H46 N4 O13, mfg=95.98, tgt=, overall=95.98 ]" "(597.29944, 2984.595)(598.303, 766.95245)(599.3082, 194.545)" C24 H46 N4 O13 FindByFormula - 598.3071 16.883 C24 H46 O12 S5 " [ C24 H46 O12 S5, mfg=67.50, tgt=, overall=67.50 ]" "(687.1666, 192.855)(709.1456, 1356.815)(710.1533, 495.27)(711.15704, 491.105)" C24 H46 O12 S5 FindByFormula + 686.161 17.6545 C24 H47 N O4 " [ C24 H47 N O4, mfg=71.80, tgt=, overall=71.80 ]" "(414.35626, 2322.9702)(415.35995, 761.9362)" C24 H47 N O4 FindByFormula + 413.3498 15.66875 C24 H47 N O4 + 15.748 " [ C24 H47 N O4, mfg=74.26, tgt=, overall=74.26 ]" "(414.35785, 1781.52)(415.35956, 584.29)" C24 H47 N O4 + 15.748 FindByFormula + 413.3504 15.748 C24 H47 N15 O5 " [ C24 H47 N15 O5, mfg=78.84, tgt=, overall=78.84 ]" "(626.3954, 3459.365)(627.3969, 1014.32996)" C24 H47 N15 O5 FindByFormula + 625.3876 15.617 C24 H47 N15 O7 " [ C24 H47 N15 O7, mfg=96.30, tgt=, overall=96.30 ]" "(1315.7831, 833.01337)(1316.7861, 481.955)(1337.734, 438.40002)(1338.7427, 467.565)(329.6959, 8381.017)(330.1978, 2968.2434)(330.6977, 756.8615)(658.37427, 16632.209)(659.37573, 5937.067)(660.3681, 1469.8953)(661.3821, 231.40999)(348.66968, 883.03595)(349.1792, 340.852)(696.33624, 1191.1185)(680.3611, 3750.0405)(681.3557, 1216.0139)(682.35645, 892.84827)" C24 H47 N15 O7 FindByFormula + 657.3694 6.8224206 C24 H47 N17 O2 S " [ C24 H47 N17 O2 S, mfg=89.77, tgt=, overall=89.77 ]" "(638.38965, 20792.826)(639.38873, 8198.487)(640.38995, 2520.4902)" C24 H47 N17 O2 S FindByFormula + 637.3811 8.110333 C24 H47 N7 O7 " [ C24 H47 N7 O7, mfg=98.12, tgt=, overall=98.12 ]" "(546.3605, 98378.17)(547.3644, 29768.9)(548.3638, 5929.59)" C24 H47 N7 O7 FindByFormula + 545.3514 17.225 C24 H48 N2 O7 S " [ C24 H48 N2 O7 S, mfg=96.99, tgt=, overall=96.99 ]" "(507.3113, 11360.711)(508.31458, 3547.2998)(509.31204, 1181.9)(510.31354, 465.93)" C24 H48 N2 O7 S FindByFormula - 508.3199 16.631666 C24 H48 N6 O3 " [ C24 H48 N6 O3, mfg=77.01, tgt=, overall=77.01 ]" "(467.37244, 2692.895)(468.37683, 787.96497)" C24 H48 N6 O3 FindByFormula - 468.3807 22.0205 C24 H48 N6 O6 " [ C24 H48 N6 O6, mfg=93.57, tgt=, overall=93.57 ]" "(517.3707, 11684.754)(518.372, 3573.1794)(519.37384, 973.09314)(520.3739, 221.56999)" C24 H48 N6 O6 FindByFormula + 516.3636 18.139105 C24 H48 N8 O2 S2 " [ C24 H48 N8 O2 S2, mfg=74.20, tgt=, overall=74.20 ]" "(545.3392, 8234.74)(546.34143, 2694.56)(547.3519, 2070.13)" C24 H48 N8 O2 S2 FindByFormula + 544.3326 9.4825 C24 H49 Cl O8 S4 " [ C24 H49 Cl O8 S4, mfg=75.29, tgt=, overall=75.29 ]" "(629.2072, 2061.1902)(630.20856, 824.0533)(631.20526, 1244.4233)(667.16797, 631.985)" C24 H49 Cl O8 S4 FindByFormula + 628.2018 11.413333 C24 H50 N16 O11 " [ C24 H50 N16 O11, mfg=85.80, tgt=, overall=85.80 ]" "(739.39185, 2466.44)(740.39026, 861.255)(741.3888, 81.81)" C24 H50 N16 O11 FindByFormula + 738.3825 8.307 C24 H51 N " [ C24 H51 N, mfg=80.21, tgt=, overall=80.21 ]" "(354.4094, 2871.034)(355.4124, 901.5428)" C24 H51 N FindByFormula + 353.4026 15.589763 C24 H51 N + 15.584869 " [ C24 H51 N, mfg=80.39, tgt=, overall=80.39 ]" "(354.40903, 2897.2312)(355.41177, 881.6769)" C24 H51 N + 15.584869 FindByFormula + 353.4021 15.584869 C24 H51 N + 15.588455 " [ C24 H51 N, mfg=80.04, tgt=, overall=80.04 ]" "(354.40955, 3073.0935)(355.41263, 970.3305)" C24 H51 N + 15.588455 FindByFormula + 353.4032 15.588455 C24 H51 N O10 S " [ C24 H51 N O10 S, mfg=90.81, tgt=, overall=90.81 ]" "(546.3296, 6591.0933)(547.33185, 2003.0286)(548.33496, 917.7128)(549.3248, 143.96)(568.31464, 2802.12)(569.31604, 873.10754)(570.3154, 676.3433)" C24 H51 N O10 S FindByFormula + 545.3239 8.63 C24 H51 N O16 " [ C24 H51 N O16, mfg=90.29, tgt=, overall=90.29 ]" "(608.3126, 2776.3345)(609.31616, 875.7478)(610.3235, 283.03)(611.3092, 55.5)" C24 H51 N O16 FindByFormula - 609.3207 14.730539 C24 H51 N21 O4 " [ C24 H51 N21 O4, mfg=72.89, tgt=, overall=72.89 ]" "(698.452, 5054.876)(699.4522, 1373.404)" C24 H51 N21 O4 FindByFormula + 697.443 18.2428 C24 H52 N2 O7 S " [ C24 H52 N2 O7 S, mfg=84.45, tgt=, overall=84.45 ]" "(513.35126, 10189.924)(514.355, 3067.4487)(515.3654, 1083.2941)(535.3374, 4439.078)(536.33966, 1447.448)(537.3455, 616.735)" C24 H52 N2 O7 S FindByFormula + 512.3433 22.005001 C24 H52 N8 O2 S3 " [ C24 H52 N8 O2 S3, mfg=90.69, tgt=, overall=90.69 ]" "(581.3438, 2743.1772)(582.3482, 864.32446)(583.34515, 526.7264)" C24 H52 N8 O2 S3 FindByFormula + 580.3367 18.20909 C24 H53 N11 O9 " [ C24 H53 N11 O9, mfg=89.15, tgt=, overall=89.15 ]" "(640.4115, 404563.94)(641.41406, 95146.92)(642.4165, 17667.285)" C24 H53 N11 O9 FindByFormula + 639.4031 17.1098 C24 H53 N3 O6 " [ C24 H53 N3 O6, mfg=89.54, tgt=, overall=89.54 ]" "(480.40112, 4117.2056)(481.40335, 1370.4395)(482.40112, 299.01752)" C24 H53 N3 O6 FindByFormula + 479.3955 18.038002 C24 H53 N3 O6 + 18.02325 " [ C24 H53 N3 O6, mfg=93.68, tgt=, overall=93.68 ]" "(480.40097, 5389.8296)(481.40292, 1785.1475)(482.4046, 266.80002)" C24 H53 N3 O6 + 18.02325 FindByFormula + 479.3946 18.02325 C24 H53 N3 O6 + 18.220667 " [ C24 H53 N3 O6, mfg=75.89, tgt=, overall=75.89 ]" "(480.40164, 2300.32)(481.4016, 866.26337)(482.4059, 347.78)" C24 H53 N3 O6 + 18.220667 FindByFormula + 479.3964 18.220667 C24 H56 N16 O3 S " [ C24 H56 N16 O3 S, mfg=93.94, tgt=, overall=93.94 ]" "(649.4498, 9195.236)(650.4521, 3405.6301)(651.4499, 944.27203)(652.4516, 274.91064)" C24 H56 N16 O3 S FindByFormula + 648.4444 17.800535 C24 H57 N17 O9 " [ C24 H57 N17 O9, mfg=92.03, tgt=, overall=92.03 ]" "(728.4582, 294867.84)(729.46045, 79865.07)(730.46344, 16078.399)(731.4643, 1857.015)" C24 H57 N17 O9 FindByFormula + 727.4498 16.893333 C24 H7 N O3 " [ C24 H7 N O3, mfg=76.07, tgt=, overall=76.07 ]" "(358.0487, 2582.065)(359.0547, 611.03)" C24 H7 N O3 FindByFormula + 357.043 1.3204999 "C24:5n-6,9,12,15,18" "C24:5n-6,9,12,15,18 [ C24 H38 O2, db=97.92, tgt=, overall=97.92, Lipid ID=LMFA01030820, METLIN ID=74356 ]" "(359.29492, 5280.257)(360.29782, 1435.1333)(361.30258, 302.65665)" "C24:5n-6,9,12,15,18" FindByFormula + LMFA01030820 358.287 16.746666 "C24:5n-6,9,12,15,18 + 16.752998" "C24:5n-6,9,12,15,18 [ C24 H38 O2, mfg=94.58, db=94.58, tgt=, overall=94.58, Lipid ID=LMFA01030820, METLIN ID=74356 ]" "(359.29492, 3952.49)(360.29684, 920.105)(361.3031, 191.595)" "C24:5n-6,9,12,15,18 + 16.752998" FindByFormula + LMFA01030820 358.2881 16.752998 C25 H13 N11 O12 S " [ C25 H13 N11 O12 S, mfg=53.00, tgt=, overall=53.00 ]" "(692.0563, 4793.57)(693.04724, 883.10504)(730.0081, 171.19)" C25 H13 N11 O12 S FindByFormula + 691.0503 6.974 C25 H15 N13 S " [ C25 H15 N13 S, mfg=96.00, tgt=, overall=96.00 ]" "(528.1226, 3856.321)(529.1253, 1107.6024)(530.1244, 369.78433)" C25 H15 N13 S FindByFormula - 529.1302 8.675126 C25 H2 O12 " [ C25 H2 O12, mfg=60.90, tgt=, overall=60.90 ]" "(494.964, 4229.3223)(495.96497, 742.72754)" C25 H2 O12 FindByFormula + 493.9561 7.173 C25 H21 N19 O4 " [ C25 H21 N19 O4, mfg=74.25, tgt=, overall=74.25 ]" "(652.21094, 1029.645)(653.21277, 384.815)" C25 H21 N19 O4 FindByFormula + 651.2027 16.578 C25 H21 N3 O7 " [ C25 H21 N3 O7, mfg=79.63, tgt=, overall=79.63 ]" "(476.1449, 3276.01)(477.1486, 977.39)" C25 H21 N3 O7 FindByFormula + 475.1395 8.808001 C25 H22 Cl N17 O2 S2 " [ C25 H22 Cl N17 O2 S2, mfg=72.89, tgt=, overall=72.89 ]" "(1422.9656, 434.60754)(1423.2233, 194.66)(692.1359, 968.4915)(693.1346, 378.38168)(694.1315, 506.914)(714.132, 1661.5743)(715.1319, 807.57)" C25 H22 Cl N17 O2 S2 FindByFormula + 691.1305 1.9714445 C25 H22 O3 " [ C25 H22 O3, mfg=89.54, tgt=, overall=44.77 ]" "(371.16415, 2749.5576)(372.16562, 653.62)(373.1593, 69.46)" C25 H22 O3 FindByFormula + 370.1567 20.66325 C25 H23 N9 O6 S " [ C25 H23 N9 O6 S, mfg=96.20, tgt=, overall=96.20 ]" "(1156.8296, 567.43695)(1157.6947, 362.36798)(1158.7913, 401.6737)(1193.2817, 522.42267)(1177.2943, 440.4878)(578.15576, 7785.7397)(579.15857, 2637.6318)(580.1562, 749.48474)" C25 H23 N9 O6 S FindByFormula + 577.1493 1.9409565 C25 H25 N15 O10 " [ C25 H25 N15 O10, mfg=83.80, tgt=, overall=83.80 ]" "(696.2004, 2008.2633)(697.2007, 702.23)(698.18835, 239.81)" C25 H25 N15 O10 FindByFormula + 695.1837 14.390332 C25 H26 N4 O2 " [ C25 H26 N4 O2, mfg=77.87, tgt=, overall=77.87 ]" "(413.19977, 1778.24)(414.20258, 471.695)" C25 H26 N4 O2 FindByFormula - 414.2057 9.2605 C25 H27 Cl N12 O11 " [ C25 H27 Cl N12 O11, mfg=95.62, tgt=, overall=95.62 ]" "(705.154, 6574.39)(706.1571, 2316.685)(707.1531, 2975.06)(708.15533, 816.64)" C25 H27 Cl N12 O11 FindByFormula - 706.1602 10.0815 C25 H28 N20 O3 " [ C25 H28 N20 O3, mfg=71.57, tgt=, overall=71.57 ]" "(657.2732, 1122.34)(658.27435, 471.07)" C25 H28 N20 O3 FindByFormula + 656.2647 23.053501 C25 H30 N20 O2 " [ C25 H30 N20 O2, mfg=95.31, tgt=, overall=95.31 ]" "(643.292, 54618.43)(644.29504, 20427.86)(645.2997, 4348.451)(646.304, 804.1963)(647.3041, 422.02502)" C25 H30 N20 O2 FindByFormula + 642.286 22.806 C25 H31 N3 O15 S " [ C25 H31 N3 O15 S, mfg=96.75, tgt=, overall=96.75 ]" "(1291.2998, 116.06)(1329.3899, 7945.828)(1330.4125, 6671.8633)(1331.2499, 5360.9136)(1313.2802, 13904.211)(1314.2847, 9111.748)(1315.2838, 8524.132)(1316.284, 1483.66)(646.1549, 22869.21)(647.1583, 7738.235)(648.156, 3791.765)(649.1565, 1079.885)(684.10657, 22190.174)(685.1085, 7536.0674)(686.11163, 12514.923)(668.1372, 303467.47)(669.1399, 96291.53)(670.1374, 47389.176)(671.13794, 12692.48)(672.13086, 4078.45)" C25 H31 N3 O15 S FindByFormula + 645.1442 8.645444 C25 H31 N3 O3 " [ C25 H31 N3 O3, mfg=88.71, tgt=, overall=88.71 ]" "(422.2452, 2407.0615)(423.2463, 672.375)(424.258, 430.31)(460.19604, 1439.154)(461.20117, 347.606)(444.22565, 9805.346)(445.23218, 3155.8801)(446.23508, 419.2857)" C25 H31 N3 O3 FindByFormula + 421.2363 11.117999 C25 H31 N9 O3 " [ C25 H31 N9 O3, mfg=68.05, tgt=, overall=68.05 ]" "(506.26053, 7358.5063)(507.2671, 2680.4534)" C25 H31 N9 O3 FindByFormula + 505.2552 8.741667 C25 H33 N13 O2 " [ C25 H33 N13 O2, mfg=77.32, tgt=, overall=38.66 ]" "(548.2965, 1771.745)(549.29724, 583.775)(570.27905, 902.69)(571.2763, 149.89)" C25 H33 N13 O2 FindByFormula + 547.2889 26.85725 C25 H33 N15 O3 S2 " [ C25 H33 N15 O3 S2, mfg=88.32, tgt=, overall=88.32 ]" "(656.2428, 4681.733)(657.243, 1538.1421)(658.235, 734.0933)(659.2373, 229.2275)(678.2259, 319.0275)(679.2317, 136.4)" C25 H33 N15 O3 S2 FindByFormula + 655.2359 16.784111 C25 H33 N19 S2 " [ C25 H33 N19 S2, mfg=86.97, tgt=, overall=86.97 ]" "(662.25165, 1982.4033)(663.25385, 669.44)(664.2623, 299.68997)" C25 H33 N19 S2 FindByFormula - 663.2553 17.625 C25 H33 N9 O11 " [ C25 H33 N9 O11, mfg=98.67, tgt=, overall=98.67 ]" "(634.2222, 2663.935)(635.2246, 785.89746)(636.22736, 200.47375)" C25 H33 N9 O11 FindByFormula - 635.2278 15.16025 C25 H34 N2 O5 " [ C25 H34 N2 O5, mfg=81.83, tgt=, overall=81.83 ]" "(441.23962, 1959.4949)(442.24246, 534.7)" C25 H34 N2 O5 FindByFormula - 442.2455 8.05575 C25 H35 N9 O3 " [ C25 H35 N9 O3, mfg=62.47, tgt=, overall=62.47 ]" "(508.27774, 1067.04)(509.28333, 460.36502)" C25 H35 N9 O3 FindByFormula - 509.2829 23.335999 C25 H36 Cl N3 " [ C25 H36 Cl N3, mfg=67.57, tgt=, overall=67.57 ]" "(414.2697, 2088.75)(415.26935, 641.49)(416.2601, 896.205)(454.236, 758.68)(436.2522, 1078.27)(437.24875, 337.98)" C25 H36 Cl N3 FindByFormula + 413.2629 1.135 C25 H36 N10 O2 " [ C25 H36 N10 O2, mfg=81.00, tgt=, overall=40.50 ]" "(509.30936, 2635.0544)(510.31137, 812.457)" C25 H36 N10 O2 FindByFormula + 508.3045 14.201923 C25 H37 N25 O2 " [ C25 H37 N25 O2, mfg=72.16, tgt=, overall=72.16 ]" "(718.3491, 1664.99)(719.3523, 699.21497)" C25 H37 N25 O2 FindByFormula - 719.3571 8.635 C25 H37 N3 O4 " [ C25 H37 N3 O4, mfg=91.21, tgt=, overall=91.21 ]" "(442.26956, 13766.367)(443.27417, 3790.28)(444.27643, 1105.715)" C25 H37 N3 O4 FindByFormula - 443.2762 7.9726663 C25 H37 N7 O5 S " [ C25 H37 N7 O5 S, mfg=95.38, tgt=, overall=95.38 ]" "(548.2685, 3320.0652)(549.2643, 1404.255)(570.2474, 4367.4897)(571.25146, 1199.9967)(572.2473, 374.55997)" C25 H37 N7 O5 S FindByFormula + 547.2575 15.719499 C25 H38 N10 O4 " [ C25 H38 N10 O4, mfg=92.52, tgt=, overall=92.52 ]" "(543.31335, 3669.274)(544.3187, 1222.196)(545.32, 168.52666)(565.2932, 705.05)" C25 H38 N10 O4 FindByFormula + 542.3068 6.1372 C25 H38 N4 S " [ C25 H38 N4 S, mfg=60.31, tgt=, overall=60.31 ]" "(427.2899, 1272.82)(428.2902, 506.27)(449.2706, 610.59)(450.264, 231.27)" C25 H38 N4 S FindByFormula + 426.2785 7.8945 C25 H38 O21 " [ C25 H38 O21, mfg=89.92, tgt=, overall=89.92 ]" "(675.1925, 812.14996)(676.1887, 142.9975)(713.15186, 506.97998)(697.17926, 4461.454)(698.18146, 1476.682)(699.1877, 592.16003)" C25 H38 O21 FindByFormula + 674.1905 13.607599 C25 H39 N15 O10 S " [ C25 H39 N15 O10 S, mfg=95.36, tgt=, overall=95.36 ]" "(742.2807, 7958.664)(743.28204, 2797.3801)(744.27747, 1081.2227)(745.2738, 273.2489)(764.2588, 425.84857)(765.2619, 236.31999)" C25 H39 N15 O10 S FindByFormula + 741.2705 15.3402 C25 H39 N5 O11 S " [ C25 H39 N5 O11 S, mfg=97.66, tgt=, overall=97.66 ]" "(309.6259, 5590.3413)(310.12766, 1651.9976)(310.62665, 537.33246)(618.2493, 1292.1433)(619.2449, 291.23334)" C25 H39 N5 O11 S FindByFormula + 617.2377 14.771583 C25 H39 N7 O5 S " [ C25 H39 N7 O5 S, mfg=84.23, tgt=, overall=84.23 ]" "(550.2796, 1816.9362)(588.23096, 374.528)(572.2607, 3623.584)(573.263, 1223.8112)(574.2715, 516.05)" C25 H39 N7 O5 S FindByFormula + 549.269 17.615875 C25 H40 N16 O " [ C25 H40 N16 O, mfg=94.23, tgt=, overall=94.23 ]" "(581.36395, 10846.845)(582.3682, 3890.9)(583.36536, 854.625)" C25 H40 N16 O FindByFormula + 580.3568 16.404999 C25 H40 N16 O2 " [ C25 H40 N16 O2, mfg=76.34, tgt=, overall=76.34 ]" "(597.359, 1793.1367)(598.36194, 675.1922)" C25 H40 N16 O2 FindByFormula + 596.3539 14.045334 C25 H40 N16 O2 - 12.014714 " [ C25 H40 N16 O2, mfg=95.74, tgt=, overall=95.74 ]" "(595.3447, 8183.31)(596.3482, 3076.6873)(597.3493, 705.71576)" C25 H40 N16 O2 - 12.014714 FindByFormula - 596.3517 12.014714 C25 H40 N8 O9 " [ C25 H40 N8 O9, mfg=98.06, tgt=, overall=98.06 ]" "(595.28485, 8403.418)(596.28815, 2531.6826)(597.29156, 664.77637)" C25 H40 N8 O9 FindByFormula - 596.2866 15.336636 C25 H40 N8 O9 - 15.333545 " [ C25 H40 N8 O9, mfg=98.30, tgt=, overall=98.30 ]" "(595.2851, 8224.194)(596.28845, 2462.1963)(597.2919, 566.859)(598.2929, 54.84)" C25 H40 N8 O9 - 15.333545 FindByFormula - 596.2904 15.333545 C25 H41 N11 O3 " [ C25 H41 N11 O3, mfg=76.99, tgt=, overall=76.99 ]" "(542.33276, 1907.6825)(543.33276, 558.17)" C25 H41 N11 O3 FindByFormula - 543.3407 1.6425 C25 H41 N11 O4 " [ C25 H41 N11 O4, mfg=79.36, tgt=, overall=79.36 ]" "(558.32635, 1453.4615)(559.3285, 430.83667)" C25 H41 N11 O4 FindByFormula - 559.3322 1.1344999 C25 H41 N15 O10 S " [ C25 H41 N15 O10 S, mfg=97.18, tgt=, overall=97.18 ]" "(744.2964, 7313.635)(745.2986, 2506.4053)(746.29474, 984.16724)(747.2934, 292.97665)(766.2785, 495.86996)" C25 H41 N15 O10 S FindByFormula + 743.2911 17.261454 C25 H41 N3 O5 " [ C25 H41 N3 O5, mfg=88.83, tgt=, overall=88.83 ]" "(950.572, 189.89)(464.31274, 6772.702)(465.31558, 1734.0947)(466.3228, 551.30414)(502.26447, 1344.3337)(486.2966, 6066.4116)(487.29803, 1592.2563)(488.303, 602.8332)" C25 H41 N3 O5 FindByFormula + 463.3058 15.760953 C25 H41 N3 O5 + 15.758583 " [ C25 H41 N3 O5, mfg=92.86, tgt=, overall=92.86 ]" "(950.5794, 201.49)(464.31253, 13307.548)(465.31454, 3529.6453)(466.32126, 1037.4117)(502.26093, 390.255)(486.2951, 12898.219)(487.2971, 3562.0115)(488.3026, 588.72754)" C25 H41 N3 O5 + 15.758583 FindByFormula + 463.3048 15.758583 C25 H41 N3 O6 " [ C25 H41 N3 O6, mfg=95.18, tgt=, overall=95.18 ]" "(478.29108, 23769.094)(479.29422, 6139.425)(480.29965, 1293.8188)(481.30295, 60.775)" C25 H41 N3 O6 FindByFormula - 479.2977 15.114 C25 H41 N3 O9 S " [ C25 H41 N3 O9 S, mfg=94.75, tgt=, overall=94.75 ]" "(560.26324, 15872.684)(561.2683, 4747.23)(562.2668, 1654.6432)" C25 H41 N3 O9 S FindByFormula + 559.2537 9.985 C25 H41 N5 O S " [ C25 H41 N5 O S, mfg=94.06, tgt=, overall=94.06 ]" "(230.6643, 1135.87)(231.1651, 110.78)(460.31146, 2094.315)(461.31305, 590.435)(462.3139, 216.27)(482.29407, 1395.88)(483.2987, 267.61)" C25 H41 N5 O S FindByFormula + 459.3045 2.2835002 C25 H42 Cl N5 O2 " [ C25 H42 Cl N5 O2, mfg=88.43, tgt=, overall=88.43 ]" "(478.29086, 43856.016)(479.29413, 11559.37)(480.30518, 14238.515)(481.30875, 3552.7798)(482.3109, 708.26)" C25 H42 Cl N5 O2 FindByFormula - 479.2985 14.698 C25 H42 N10 O2 " [ C25 H42 N10 O2, mfg=72.45, tgt=, overall=72.45 ]" "(258.1854, 413.3)(258.6848, 151.98)(515.3563, 387.96)(516.3602, 150.55)(537.33075, 499.28)" C25 H42 N10 O2 FindByFormula + 514.3505 6.8435 C25 H42 N6 O4 S2 " [ C25 H42 N6 O4 S2, mfg=87.72, tgt=, overall=87.72 ]" "(555.2787, 8109.2397)(556.2836, 2465.2673)(557.2792, 1560.87)" C25 H42 N6 O4 S2 FindByFormula + 554.2682 8.129499 C25 H42 O7 " [ C25 H42 O7, mfg=76.53, tgt=, overall=76.53 ]" "(453.28534, 2087.6602)(454.28906, 676.995)" C25 H42 O7 FindByFormula - 454.2917 10.2465 C25 H42 O8 S " [ C25 H42 O8 S, mfg=92.24, tgt=, overall=92.24 ]" "(503.2681, 1873.9126)(504.27167, 555.8325)(505.26517, 229.90334)" C25 H42 O8 S FindByFormula + 502.26 27.360498 C25 H43 N O11 " [ C25 H43 N O11, mfg=96.49, tgt=, overall=96.49 ]" "(267.65002, 16079.564)(268.1516, 4871.1104)(268.65204, 956.065)(269.148, 175.22)(534.2962, 28383.0)(535.3013, 7260.155)(536.2992, 3380.57)(537.29834, 867.69)" C25 H43 N O11 FindByFormula + 533.2883 14.8315 C25 H43 N O5 " [ C25 H43 N O5, mfg=72.91, tgt=, overall=72.91 ]" "(438.32114, 2551.2576)(439.32135, 750.2075)(460.3007, 461.085)" C25 H43 N O5 FindByFormula + 437.3141 12.0807495 C25 H43 N O5 + 12.032 " [ C25 H43 N O5, mfg=79.04, tgt=, overall=79.04 ]" "(438.3213, 5852.945)(439.32513, 1837.07)(460.3075, 723.02)" C25 H43 N O5 + 12.032 FindByFormula + 437.3145 12.032 C25 H43 N3 O5 " [ C25 H43 N3 O5, mfg=79.87, tgt=, overall=79.87 ]" "(466.32675, 3297.7349)(467.3299, 963.635)(488.30756, 2841.895)" C25 H43 N3 O5 FindByFormula + 465.3191 15.524 C25 H43 N3 O5 - 17.598444 " [ C25 H43 N3 O5, mfg=89.34, tgt=, overall=89.34 ]" "(464.31213, 32362.875)(465.31293, 8318.184)(466.32065, 1984.2305)(467.32358, 456.9308)" C25 H43 N3 O5 - 17.598444 FindByFormula - 465.3192 17.598444 C25 H43 N9 O " [ C25 H43 N9 O, mfg=80.90, tgt=, overall=80.90 ]" "(484.3523, 2918.58)(485.35522, 927.41003)" C25 H43 N9 O FindByFormula - 485.3589 7.8475 C25 H43 N9 O6 " [ C25 H43 N9 O6, mfg=79.26, tgt=, overall=79.26 ]" "(564.32654, 2728.5042)(565.3299, 843.95605)" C25 H43 N9 O6 FindByFormula - 565.3347 14.0226 C25 H44 N8 O3 S " [ C25 H44 N8 O3 S, mfg=91.30, tgt=, overall=91.30 ]" "(537.3342, 1998.0143)(538.33673, 635.6434)(539.3369, 279.975)(559.31775, 1534.74)(560.3176, 662.94)" C25 H44 N8 O3 S FindByFormula + 536.3303 1.9432223 C25 H44 N8 O9 " [ C25 H44 N8 O9, mfg=99.02, tgt=, overall=99.02 ]" "(599.31616, 4929.4736)(600.3191, 1512.492)(601.32117, 384.811)(602.3254, 100.04833)" C25 H44 N8 O9 FindByFormula - 600.3236 14.764799 C25 H45 N O4 " [ C25 H45 N O4, mfg=97.95, tgt=, overall=97.95 ]" "(424.34198, 9835.268)(425.3443, 2853.357)(426.34647, 470.27472)(446.32166, 797.3034)(447.32108, 327.20544)" C25 H45 N O4 FindByFormula + 423.337 14.206047 C25 H45 N O4 + 14.188648 " [ C25 H45 N O4, mfg=98.50, tgt=, overall=98.50 ]" "(424.34195, 10064.353)(425.34448, 2955.0938)(426.34833, 563.25995)(446.32242, 971.829)(447.32202, 422.83572)" C25 H45 N O4 + 14.188648 FindByFormula + 423.3347 14.188648 C25 H45 N O4 + 14.19088 " [ C25 H45 N O4, mfg=93.60, tgt=, overall=93.60 ]" "(424.3415, 7629.991)(425.34357, 2220.7883)(426.34244, 264.07166)(446.32153, 387.322)(447.31824, 87.833336)" C25 H45 N O4 + 14.19088 FindByFormula + 423.334 14.19088 C25 H45 N O4 + 14.263667 " [ C25 H45 N O4, mfg=75.68, tgt=, overall=75.68 ]" "(424.34244, 7189.3633)(425.34436, 2383.02)" C25 H45 N O4 + 14.263667 FindByFormula + 423.3352 14.263667 C25 H45 N O6 " [ C25 H45 N O6, mfg=97.07, tgt=, overall=97.07 ]" "(456.3327, 5172.56)(457.33435, 1402.44)(458.33865, 262.355)" C25 H45 N O6 FindByFormula + 455.3253 11.182501 C25 H45 N25 O2 " [ C25 H45 N25 O2, mfg=68.47, tgt=, overall=68.47 ]" "(726.4123, 1899.0249)(727.4131, 878.685)" C25 H45 N25 O2 FindByFormula - 727.4196 8.4635 C25 H45 N5 O7 S " [ C25 H45 N5 O7 S, mfg=96.78, tgt=, overall=96.78 ]" "(280.6574, 10394.861)(281.1584, 3149.5334)(281.6581, 741.5005)(282.1588, 156.6522)(560.31104, 22933.604)(561.31354, 6960.994)(562.31274, 3220.2524)(563.3123, 714.81537)" C25 H45 N5 O7 S FindByFormula + 559.3021 15.379252 C25 H45 N5 O7 S + 15.378917 " [ C25 H45 N5 O7 S, mfg=96.24, tgt=, overall=96.24 ]" "(280.65732, 7642.679)(281.15805, 2273.1008)(281.6575, 553.2463)(560.31085, 13018.316)(561.31366, 3902.9856)(562.3134, 1774.393)(563.315, 70.38)" C25 H45 N5 O7 S + 15.378917 FindByFormula + 559.3001 15.378917 C25 H45 N5 O7 S + 15.38806 " [ C25 H45 N5 O7 S, mfg=95.19, tgt=, overall=95.19 ]" "(280.65814, 16701.283)(281.15942, 5054.51)(281.66138, 1359.63)(282.16037, 303.15665)(560.31067, 26502.066)(561.3141, 8058.725)(562.31165, 3754.6643)(563.31714, 2533.8367)" C25 H45 N5 O7 S + 15.38806 FindByFormula + 559.3039 15.38806 C25 H45 N9 O6 " [ C25 H45 N9 O6, mfg=99.24, tgt=, overall=99.24 ]" "(566.34216, 7192.5767)(567.34534, 2273.4084)(568.34735, 501.42578)" C25 H45 N9 O6 FindByFormula - 567.3487 15.395684 C25 H45 N9 O6 - 15.3867235 " [ C25 H45 N9 O6, mfg=99.35, tgt=, overall=99.35 ]" "(566.3419, 8541.84)(567.3451, 2672.0168)(568.3468, 595.56775)" C25 H45 N9 O6 - 15.3867235 FindByFormula - 567.3472 15.3867235 C25 H46 O8 " [ C25 H46 O8, mfg=90.65, tgt=, overall=90.65 ]" "(475.3273, 13399.647)(476.32843, 3897.7507)(477.32565, 749.5725)" C25 H46 O8 FindByFormula + 474.3193 8.013533 C25 H47 N O4 " [ C25 H47 N O4, mfg=98.59, tgt=, overall=98.59 ]" "(426.35712, 24725.535)(427.3604, 7118.1504)(428.36334, 1343.379)(429.37, 387.03)(464.3043, 70.22)(448.33884, 3031.0679)(449.34143, 1044.3739)(450.34348, 300.6477)" C25 H47 N O4 FindByFormula + 425.3513 15.315518 C25 H47 N O4 + 15.2574 " [ C25 H47 N O4, mfg=95.31, tgt=, overall=95.31 ]" "(426.3564, 32613.82)(427.3599, 9473.19)(428.3634, 1843.59)(448.3382, 3605.736)(449.3376, 677.42)(450.3529, 38.08)" C25 H47 N O4 + 15.2574 FindByFormula + 425.3502 15.2574 C25 H47 N O4 + 15.293912 " [ C25 H47 N O4, mfg=98.15, tgt=, overall=98.15 ]" "(426.35703, 28583.562)(427.36026, 8176.1665)(428.36426, 1611.4675)(448.33786, 607.32)" C25 H47 N O4 + 15.293912 FindByFormula + 425.35 15.293912 C25 H47 N O4 + 15.2995825 " [ C25 H47 N O4, mfg=97.15, tgt=, overall=97.15 ]" "(426.35672, 28511.104)(427.36014, 8205.1455)(428.36298, 1407.2649)(464.30652, 404.335)(448.3387, 3098.1433)(449.34192, 1395.5674)(450.34732, 448.16333)" C25 H47 N O4 + 15.2995825 FindByFormula + 425.3506 15.2995825 C25 H47 N O4 + 15.300889 " [ C25 H47 N O4, mfg=98.32, tgt=, overall=98.32 ]" "(426.357, 26185.014)(427.36035, 7554.201)(428.36426, 1239.7278)(429.36963, 401.675)(464.30737, 183.54668)(448.3386, 2965.3992)(449.3417, 942.0806)(450.344, 211.69835)" C25 H47 N O4 + 15.300889 FindByFormula + 425.3493 15.300889 C25 H47 N O5 " [ C25 H47 N O5, mfg=60.39, tgt=, overall=60.39 ]" "(442.3469, 113.99)(464.33557, 1863.93)(465.33508, 751.69336)" C25 H47 N O5 FindByFormula + 441.3475 12.819333 C25 H47 N25 O3 " [ C25 H47 N25 O3, mfg=75.14, tgt=, overall=75.14 ]" "(744.4233, 1402.0071)(745.4257, 503.1286)" C25 H47 N25 O3 FindByFormula - 745.4294 4.346143 C25 H48 N2 O9 " [ C25 H48 N2 O9, mfg=92.80, tgt=, overall=92.80 ]" "(521.3426, 4977.275)(522.3469, 1738.3201)(523.3473, 380.25)" C25 H48 N2 O9 FindByFormula + 520.334 19.6545 C25 H48 N6 O6 " [ C25 H48 N6 O6, mfg=76.22, tgt=, overall=76.22 ]" "(529.371, 3737.9)(530.37305, 1278.046)" C25 H48 N6 O6 FindByFormula + 528.3625 11.240801 C25 H49 Cl N2 S2 " [ C25 H49 Cl N2 S2, mfg=66.45, tgt=, overall=66.45 ]" "(477.3129, 1612.575)(478.3182, 438.76)(479.3024, 780.93)" C25 H49 Cl N2 S2 FindByFormula + 476.3076 9.2225 C25 H49 N O4 " [ C25 H49 N O4, mfg=95.77, tgt=, overall=95.77 ]" "(428.37262, 28844.29)(429.37558, 8315.328)(430.38403, 1541.4614)(431.3883, 353.28998)(450.35306, 3446.493)(451.35446, 1026.1908)(452.35706, 346.0594)" C25 H49 N O4 FindByFormula + 427.3638 16.6834 C25 H49 N O4 + 16.677916 " [ C25 H49 N O4, mfg=95.80, tgt=, overall=95.80 ]" "(428.37268, 29556.787)(429.37573, 8508.736)(430.38403, 1608.6495)(466.3235, 300.54333)(450.3533, 3487.138)(451.35483, 1052.3365)(452.35864, 320.87476)" C25 H49 N O4 + 16.677916 FindByFormula + 427.3666 16.677916 C25 H49 N O4 + 16.681639 " [ C25 H49 N O4, mfg=96.04, tgt=, overall=96.04 ]" "(428.37274, 28575.03)(429.3757, 8223.307)(430.384, 1576.1279)(431.38852, 356.474)(466.3235, 300.54333)(450.35327, 3371.7615)(451.3549, 1011.5459)(452.3593, 314.9117)" C25 H49 N O4 + 16.681639 FindByFormula + 427.3656 16.681639 C25 H49 N O4 + 16.86725 " [ C25 H49 N O4, mfg=93.20, tgt=, overall=93.20 ]" "(428.3724, 9668.082)(429.375, 2797.3374)(430.38446, 537.4125)(431.4041, 105.56)(466.324, 328.08)(450.3523, 1263.6274)(451.3549, 420.28503)(452.3639, 188.86665)" C25 H49 N O4 + 16.86725 FindByFormula + 427.3653 16.86725 C25 H49 N O4 + 16.86725 :1 " [ C25 H49 N O4, mfg=93.51, tgt=, overall=93.51 ]" "(428.37247, 9812.3125)(429.375, 2831.63)(430.3844, 541.22)(431.4041, 105.56)(466.3239, 204.81999)(450.3523, 1271.9724)(451.35477, 421.2575)(452.36386, 194.13)" C25 H49 N O4 + 16.86725 :1 FindByFormula + 427.3655 16.86725 C25 H49 N O4 + 16.86725 :2 " [ C25 H49 N O4, mfg=95.30, tgt=, overall=95.30 ]" "(428.3726, 8890.963)(429.37524, 2392.22)(430.3846, 387.9475)(466.3238, 81.56)(450.3526, 1052.5549)(451.35507, 349.78998)(452.3641, 225.73665)" C25 H49 N O4 + 16.86725 :2 FindByFormula + 427.366 16.86725 C25 H49 N O5 " [ C25 H49 N O5, mfg=96.76, tgt=, overall=96.76 ]" "(444.36816, 9459.968)(445.37018, 2773.1196)(446.37192, 510.16684)(447.37787, 111.138)(466.34836, 1596.6836)(467.3498, 682.1572)" C25 H49 N O5 FindByFormula + 443.3615 14.593842 C25 H49 N O5 + 14.590824 " [ C25 H49 N O5, mfg=96.72, tgt=, overall=96.72 ]" "(444.36804, 10247.153)(445.37033, 2950.6868)(446.3712, 544.00415)(466.3488, 1683.6674)(467.3498, 680.5309)(468.35693, 175.625)" C25 H49 N O5 + 14.590824 FindByFormula + 443.3602 14.590824 C25 H49 N3 O6 S " [ C25 H49 N3 O6 S, mfg=84.28, tgt=, overall=84.28 ]" "(1039.6628, 2474.4624)(1040.6545, 1832.1224)(1041.6547, 519.545)(1042.7017, 371.71)(1062.9084, 906.05005)(1063.9133, 772.13245)(1063.6617, 2583.77)(1064.6678, 2250.52)(1065.6621, 723.56)(520.3391, 21474.254)(521.34204, 6743.853)(522.34595, 1465.7296)(523.34937, 363.2)(558.2953, 2859.8635)(559.30066, 869.6527)(560.2994, 467.54214)(542.3215, 37254.21)(543.32446, 11316.903)(544.3344, 5417.753)(545.3404, 1939.8512)" C25 H49 N3 O6 S FindByFormula + 519.3327 13.98255 C25 H49 N5 O11 " [ C25 H49 N5 O11, mfg=65.60, tgt=, overall=65.60 ]" "(596.34985, 3377.0867)(597.35675, 696.00665)" C25 H49 N5 O11 FindByFormula + 595.3432 12.019666 C25 H49 N7 O2 " [ C25 H49 N7 O2, mfg=76.85, tgt=, overall=76.85 ]" "(480.401, 4606.0684)(481.40353, 1535.96)" C25 H49 N7 O2 FindByFormula + 479.3976 18.00625 C25 H50 N18 O6 S " [ C25 H50 N18 O6 S, mfg=80.64, tgt=, overall=80.64 ]" "(731.3984, 3022.13)(732.3928, 982.05)(733.3932, 424.61)(753.3944, 5416.735)(754.3991, 2012.295)(755.3999, 468.83)" C25 H50 N18 O6 S FindByFormula + 730.3975 7.458 C25 H50 N2 O7 " [ C25 H50 N2 O7, mfg=91.49, tgt=, overall=91.49 ]" "(491.36865, 4094.2148)(492.37177, 1356.8701)(493.3733, 448.97)(513.34937, 3636.845)(514.35, 1282.735)(515.3595, 784.48)" C25 H50 N2 O7 FindByFormula + 490.3645 22.4475 C25 H50 N6 O7 " [ C25 H50 N6 O7, mfg=95.99, tgt=, overall=95.99 ]" "(547.3813, 11394.883)(548.38367, 3508.6018)(549.3807, 368.00168)" C25 H50 N6 O7 FindByFormula + 546.3732 16.580833 C25 H51 N O4 " [ C25 H51 N O4, mfg=93.02, tgt=, overall=93.02 ]" "(430.38846, 1290.62)(431.392, 485.034)(452.3716, 3344.7603)(453.37354, 1103.0475)(454.37662, 270.08334)" C25 H51 N O4 FindByFormula + 429.3817 15.764429 C25 H51 N O4 + 15.720125 " [ C25 H51 N O4, mfg=90.58, tgt=, overall=90.58 ]" "(430.38705, 805.67126)(431.3903, 362.04666)(452.37036, 2084.32)(453.373, 668.306)(454.3698, 25.63)" C25 H51 N O4 + 15.720125 FindByFormula + 429.3809 15.720125 C25 H51 N O4 + 15.82058 " [ C25 H51 N O4, mfg=82.82, tgt=, overall=82.82 ]" "(430.3884, 1561.3958)(431.39178, 572.7592)(452.37112, 2988.6846)(453.37354, 983.39935)(454.37207, 332.752)" C25 H51 N O4 + 15.82058 FindByFormula + 429.3816 15.82058 C25 H51 N O4 + 15.85537 " [ C25 H51 N O4, mfg=92.51, tgt=, overall=92.51 ]" "(430.38785, 1236.7169)(431.38968, 521.80005)(452.3712, 3289.2668)(453.37283, 1064.4993)(454.3752, 91.93)" C25 H51 N O4 + 15.85537 FindByFormula + 429.3809 15.85537 C25 H51 N O4 + 16.241001 " [ C25 H51 N O4, mfg=79.51, tgt=, overall=79.51 ]" "(430.38776, 1068.2758)(431.38956, 500.9673)(452.3708, 2209.481)(453.37314, 696.90204)(454.3698, 247.66748)" C25 H51 N O4 + 16.241001 FindByFormula + 429.3807 16.241001 C25 H51 N5 O3 S3 " [ C25 H51 N5 O3 S3, mfg=83.92, tgt=, overall=83.92 ]" "(566.3205, 9439.11)(567.3226, 3404.5122)(568.33344, 1632.137)(569.3252, 235.52332)" C25 H51 N5 O3 S3 FindByFormula + 565.3151 13.904769 C25 H51 N5 O3 S3 + 14.066312 " [ C25 H51 N5 O3 S3, mfg=88.40, tgt=, overall=88.40 ]" "(566.321, 12641.648)(567.32446, 4068.1704)(568.3352, 2157.7944)(569.32965, 734.9525)" C25 H51 N5 O3 S3 + 14.066312 FindByFormula + 565.3171 14.066312 C25 H51 N7 O6 " [ C25 H51 N7 O6, mfg=97.43, tgt=, overall=97.43 ]" "(546.3975, 38850.19)(547.40094, 12801.656)(548.4052, 2823.5432)(549.4033, 761.48)" C25 H51 N7 O6 FindByFormula + 545.3897 17.323668 C25 H52 N18 O5 S " [ C25 H52 N18 O5 S, mfg=91.34, tgt=, overall=91.34 ]" "(715.4024, 1352.085)(716.4022, 486.64502)(717.4049, 219.685)" C25 H52 N18 O5 S FindByFormula - 716.4094 8.3875 C25 H53 N3 O " [ C25 H53 N3 O, mfg=78.25, tgt=, overall=78.25 ]" "(412.42633, 3638.6418)(413.42905, 1230.384)" C25 H53 N3 O FindByFormula + 411.4189 10.851 C25 H53 N3 O + 10.4869995 " [ C25 H53 N3 O, mfg=70.47, tgt=, overall=70.47 ]" "(412.42664, 2508.5352)(413.42816, 944.2)" C25 H53 N3 O + 10.4869995 FindByFormula + 411.4192 10.4869995 C25 H53 N3 O + 10.564333 " [ C25 H53 N3 O, mfg=75.98, tgt=, overall=75.98 ]" "(412.4266, 2118.3733)(413.4279, 821.31665)(414.4283, 252.69)" C25 H53 N3 O + 10.564333 FindByFormula + 411.4181 10.564333 C25 H53 N3 O + 10.8294 " [ C25 H53 N3 O, mfg=92.04, tgt=, overall=92.04 ]" "(412.4257, 3020.8901)(413.43018, 963.888)(414.43005, 264.41998)" C25 H53 N3 O + 10.8294 FindByFormula + 411.4187 10.8294 C25 H53 N7 O " [ C25 H53 N7 O, mfg=88.23, tgt=, overall=88.23 ]" "(468.43878, 3046.3892)(469.44315, 1087.4247)(470.44485, 333.495)" C25 H53 N7 O FindByFormula + 467.4315 17.666456 C25 H9 N3 O19 S " [ C25 H9 N3 O19 S, mfg=82.07, tgt=, overall=82.07 ]" "(687.9617, 18114.268)(688.9628, 4186.983)(689.9648, 721.71)" C25 H9 N3 O19 S FindByFormula + 686.9553 6.8846664 C26 H17 N O23 " [ C26 H17 N O23, mfg=55.08, tgt=, overall=55.08 ]" "(712.0277, 25174.771)(713.026, 3598.3975)" C26 H17 N O23 FindByFormula + 711.0248 8.2365 C26 H17 N15 O5 S2 " [ C26 H17 N15 O5 S2, mfg=97.14, tgt=, overall=97.14 ]" "(1367.203, 371.59)(695.0926, 666.7388)(695.5918, 286.8375)(696.08704, 250.95499)(342.5554, 10983.556)(343.05756, 3997.7024)(343.55597, 1895.8792)(344.05594, 574.85126)(684.1047, 18592.95)(685.1057, 6425.7275)(686.1111, 10692.665)(687.11084, 2917.3718)(688.1113, 2535.8066)(689.11896, 696.9325)(722.05115, 226.50398)(723.0734, 409.87)(706.08655, 4798.521)(707.0893, 1664.9781)(708.082, 1377.136)" C26 H17 N15 O5 S2 FindByFormula + 683.0965 8.657651 C26 H17 N17 O4 " [ C26 H17 N17 O4, mfg=66.88, tgt=, overall=66.88 ]" "(1263.3372, 519.04)(632.17395, 1248.915)(633.1684, 466.635)" C26 H17 N17 O4 FindByFormula + 631.1639 1.247 C26 H20 N8 O " [ C26 H20 N8 O, mfg=76.26, tgt=, overall=76.26 ]" "(461.18335, 1449.2)(462.18744, 517.41)" C26 H20 N8 O FindByFormula + 460.1765 10.207 C26 H21 N9 O13 " [ C26 H21 N9 O13, mfg=94.82, tgt=, overall=47.41 ]" "(1357.2372, 1009.97)(1358.2535, 679.73)(668.13367, 202617.84)(669.1364, 66124.52)(670.1326, 7896.75)(671.1281, 1943.17)(690.1165, 9749.83)(691.1212, 3769.34)(692.1232, 2475.24)(693.1459, 127.05)" C26 H21 N9 O13 FindByFormula + 667.1236 8.65723 C26 H22 N6 O8 " [ C26 H22 N6 O8, mfg=94.45, tgt=, overall=94.45 ]" "(547.1567, 9270.484)(548.161, 2522.9526)(549.16797, 380.4125)(569.127, 202.01)" C26 H22 N6 O8 FindByFormula + 546.1499 20.50425 C26 H27 N17 O2 " [ C26 H27 N17 O2, mfg=75.76, tgt=, overall=75.76 ]" "(608.2462, 3832.005)(609.2506, 1162.54)" C26 H27 N17 O2 FindByFormula - 609.2545 15.0525 C26 H27 N17 O4 " [ C26 H27 N17 O4, mfg=95.63, tgt=, overall=95.63 ]" "(640.23627, 2481.62)(641.2384, 771.51245)(642.23645, 176.2525)" C26 H27 N17 O4 FindByFormula - 641.2478 15.1622505 C26 H29 N17 O " [ C26 H29 N17 O, mfg=73.04, tgt=, overall=73.04 ]" "(594.2667, 839.32)(595.2717, 314.945)" C26 H29 N17 O FindByFormula - 595.2711 17.606499 C26 H29 N7 O2 " [ C26 H29 N7 O2, mfg=89.78, tgt=, overall=89.78 ]" "(965.9625, 714.93494)(472.2459, 10777.986)(473.2482, 3327.9565)(474.2537, 1197.5464)(510.1953, 1838.1189)(511.19962, 635.85376)(512.19324, 324.04498)(494.22733, 8504.714)(495.22925, 2699.0967)(496.23062, 848.02924)" C26 H29 N7 O2 FindByFormula + 471.2374 9.2357855 C26 H29 N7 O2 - 9.216334 " [ C26 H29 N7 O2, mfg=80.72, tgt=, overall=80.72 ]" "(470.23056, 1900.2233)(471.23306, 593.76)" C26 H29 N7 O2 - 9.216334 FindByFormula - 471.2349 9.216334 C26 H31 N17 O3 S " [ C26 H31 N17 O3 S, mfg=78.22, tgt=, overall=78.22 ]" "(662.2616, 4034.1401)(663.2584, 1465.745)(664.2534, 634.74)" C26 H31 N17 O3 S FindByFormula + 661.2559 16.768 C26 H31 N3 S " [ C26 H31 N3 S, mfg=88.43, tgt=, overall=88.43 ]" "(418.22885, 1317.6835)(419.23352, 293.335)(456.17856, 1004.2399)(440.2125, 3563.964)(441.21222, 985.3721)(442.21417, 296.35397)" C26 H31 N3 S FindByFormula + 417.2225 6.297714 C26 H33 N21 " [ C26 H33 N21, mfg=95.42, tgt=, overall=95.42 ]" "(640.3307, 23831.799)(641.33136, 8010.626)(642.33105, 1789.0482)(662.3131, 18557.44)(663.3195, 5683.271)(664.3212, 2191.5142)" C26 H33 N21 FindByFormula + 639.3287 7.610375 C26 H33 N3 O5 " [ C26 H33 N3 O5, mfg=71.52, tgt=, overall=71.52 ]" "(468.24872, 10185.08)(469.25415, 3640.2803)" C26 H33 N3 O5 FindByFormula + 467.242 8.784 C26 H34 N16 O2 " [ C26 H34 N16 O2, mfg=72.38, tgt=, overall=72.38 ]" "(601.29974, 2295.9368)(602.2993, 814.93)" C26 H34 N16 O2 FindByFormula - 602.3028 6.5773335 C26 H34 N20 O2 " [ C26 H34 N20 O2, mfg=95.99, tgt=, overall=95.99 ]" "(659.3236, 22090.682)(660.32666, 8564.181)(661.3302, 2013.116)(662.3304, 481.96057)" C26 H34 N20 O2 FindByFormula + 658.3149 22.567654 C26 H36 N12 O5 " [ C26 H36 N12 O5, mfg=78.86, tgt=, overall=78.86 ]" "(595.28577, 5792.336)(596.28906, 1758.2529)" C26 H36 N12 O5 FindByFormula - 596.2915 15.381399 C26 H36 N12 O5 - 14.8942 " [ C26 H36 N12 O5, mfg=87.49, tgt=, overall=87.49 ]" "(595.28516, 4332.252)(596.2886, 1374.288)(597.2956, 486.87802)" C26 H36 N12 O5 - 14.8942 FindByFormula - 596.2873 14.8942 C26 H37 N15 " [ C26 H37 N15, mfg=77.69, tgt=, overall=77.69 ]" "(558.32837, 1321.01)(559.32947, 372.90997)" C26 H37 N15 FindByFormula - 559.3341 1.129 C26 H37 N23 " [ C26 H37 N23, mfg=65.12, tgt=, overall=65.12 ]" "(672.3681, 1667.34)(673.3639, 680.265)(710.32336, 438.56)(694.35706, 601.84)" C26 H37 N23 FindByFormula + 671.3623 1.0704999 C26 H37 N3 O12 " [ C26 H37 N3 O12, mfg=76.58, tgt=, overall=76.58 ]" "(582.2303, 1479.1635)(583.23444, 382.55997)" C26 H37 N3 O12 FindByFormula - 583.2361 14.509666 C26 H37 N3 O6 " [ C26 H37 N3 O6, mfg=69.96, tgt=, overall=69.96 ]" "(486.2619, 1310.215)(487.25977, 321.71)" C26 H37 N3 O6 FindByFormula - 487.2684 8.143999 C26 H37 N5 O8 S2 " [ C26 H37 N5 O8 S2, mfg=96.97, tgt=, overall=96.97 ]" "(612.2167, 7725.357)(613.21814, 2361.9578)(614.21533, 1183.3601)(615.2204, 325.10333)(634.202, 531.91223)" C26 H37 N5 O8 S2 FindByFormula + 611.2105 15.189857 C26 H38 N12 O8 " [ C26 H38 N12 O8, mfg=67.88, tgt=, overall=67.88 ]" "(647.3029, 253.025)(648.298, 84.915)" C26 H38 N12 O8 FindByFormula + 646.295 26.915 C26 H38 N16 O3 " [ C26 H38 N16 O3, mfg=75.65, tgt=, overall=75.65 ]" "(621.3246, 2899.25)(622.3275, 1087.25)" C26 H38 N16 O3 FindByFormula - 622.333 12.521 C26 H38 N4 O4 S " [ C26 H38 N4 O4 S, mfg=90.71, tgt=, overall=90.71 ]" "(503.2679, 4119.6294)(504.27216, 1278.004)(505.27164, 615.41003)" C26 H38 N4 O4 S FindByFormula + 502.2622 27.0743 C26 H39 N O4 " [ C26 H39 N O4, mfg=87.70, tgt=, overall=43.85 ]" "(430.2938, 6709.921)(431.29834, 2194.8623)(432.30502, 573.7817)" C26 H39 N O4 FindByFormula + 429.2866 10.297334 C26 H39 N11 O5 S " [ C26 H39 N11 O5 S, mfg=94.14, tgt=, overall=94.14 ]" "(616.27844, 3352.3027)(617.2799, 1051.46)(618.2759, 327.6225)" C26 H39 N11 O5 S FindByFormula - 617.284 16.761501 C26 H39 N13 O7 S2 " [ C26 H39 N13 O7 S2, mfg=92.46, tgt=, overall=92.46 ]" "(710.26227, 2632.9573)(711.2626, 809.2387)(712.26184, 399.83502)" C26 H39 N13 O7 S2 FindByFormula + 709.2564 26.082624 C26 H39 N15 O3 S2 " [ C26 H39 N15 O3 S2, mfg=93.28, tgt=, overall=93.28 ]" "(674.2892, 4509.0215)(675.2908, 1513.3274)(676.28705, 607.39636)(677.2813, 24.85)(696.273, 799.5633)(697.2719, 212.93)" C26 H39 N15 O3 S2 FindByFormula + 673.2828 15.353909 C26 H39 N3 O3 " [ C26 H39 N3 O3, mfg=70.31, tgt=, overall=70.31 ]" "(221.65833, 1626.7567)(222.15544, 520.89)(442.29874, 2285.7534)(443.29565, 920.5933)(464.2876, 959.215)" C26 H39 N3 O3 FindByFormula + 441.2979 1.7149999 C26 H39 N9 O3 S " [ C26 H39 N9 O3 S, mfg=84.90, tgt=, overall=84.90 ]" "(279.64938, 4110.97)(280.15112, 1308.875)(558.296, 5814.607)(559.30304, 1674.8468)(560.2995, 782.7119)" C26 H39 N9 O3 S FindByFormula + 557.2872 14.010063 C26 H4 O13 S " [ C26 H4 O13 S, mfg=55.07, tgt=, overall=55.07 ]" "(556.94324, 1253.8201)(557.9502, 547.86)" C26 H4 O13 S FindByFormula + 555.9362 6.513 C26 H40 Cl3 N3 O3 " [ C26 H40 Cl3 N3 O3, mfg=84.39, tgt=, overall=84.39 ]" "(548.22064, 1927.0233)(549.2255, 592.45667)(550.218, 1890.0099)(551.22076, 316.01334)(552.2166, 605.1333)" C26 H40 Cl3 N3 O3 FindByFormula + 547.2154 26.103333 C26 H40 N10 O7 " [ C26 H40 N10 O7, mfg=99.09, tgt=, overall=99.09 ]" "(605.3151, 4567.3486)(606.3187, 1504.6763)(607.32074, 309.50125)" C26 H40 N10 O7 FindByFormula + 604.3081 26.081501 C26 H40 N10 O8 " [ C26 H40 N10 O8, mfg=95.99, tgt=, overall=95.99 ]" "(1241.6143, 3327.5312)(1242.6166, 2825.3755)(1243.6167, 1361.9401)(1244.6161, 484.1067)(1279.5679, 346.242)(1280.5792, 370.58752)(1263.5935, 25499.854)(1264.5963, 18846.438)(1265.5997, 8182.3477)(1266.6007, 2740.0164)(1267.6036, 939.56494)(621.3102, 346456.03)(622.3136, 124741.41)(623.31714, 30053.57)(624.32007, 5569.16)(625.3197, 231.58)(659.2663, 22471.455)(660.2694, 8409.821)(661.2719, 3509.124)(662.27155, 1190.9299)(643.29205, 368759.16)(644.2953, 135645.11)(645.2995, 34616.69)(646.3055, 6552.317)(647.3137, 1156.1)" C26 H40 N10 O8 FindByFormula + 620.3029 24.182156 C26 H40 N10 O8 + 22.767 " [ C26 H40 N10 O8, mfg=95.56, tgt=, overall=95.56 ]" "(1263.6011, 1059.59)(1264.597, 1620.23)(1265.5833, 627.69)(1266.597, 324.03)(621.31305, 6018.27)(622.31226, 2218.15)(623.3225, 358.865)(659.26654, 4404.275)(660.2693, 1405.1001)(661.2645, 587.26)(643.29224, 22453.44)(644.295, 8229.05)(645.3014, 1710.585)(646.3061, 385.84)" C26 H40 N10 O8 + 22.767 FindByFormula + 620.3033 22.767 C26 H40 N10 O8 + 22.814003 " [ C26 H40 N10 O8, mfg=95.69, tgt=, overall=95.69 ]" "(1241.608, 108.9)(1279.572, 233.69)(1280.596, 91.68)(1263.596, 2136.1628)(1264.5912, 1687.067)(1265.5878, 616.8377)(1266.5968, 295.57)(621.31085, 12789.132)(622.3121, 4665.152)(623.3167, 1411.6337)(624.31946, 291.115)(659.2701, 6091.6367)(660.2711, 2178.691)(661.27356, 1213.2711)(662.2708, 532.22003)(643.2919, 56969.8)(644.29486, 21298.84)(645.29926, 5325.8716)(646.3038, 1040.674)(647.3078, 743.37)" C26 H40 N10 O8 + 22.814003 FindByFormula + 620.3036 22.814003 C26 H40 N10 O8 + 24.182676 " [ C26 H40 N10 O8, mfg=96.06, tgt=, overall=96.06 ]" "(1263.5854, 18357.18)(1264.5884, 13969.24)(1265.5894, 5404.15)(1266.5984, 1884.89)(621.30994, 295676.25)(622.31354, 107268.51)(623.3164, 25690.393)(624.3161, 3332.86)(659.266, 19789.238)(660.2661, 5802.22)(661.267, 2576.35)(643.2919, 322324.56)(644.2951, 118289.016)(645.2993, 30099.271)(646.3018, 4562.61)" C26 H40 N10 O8 + 24.182676 FindByFormula + 620.2991 24.182676 C26 H40 N10 O8 + 24.186575 " [ C26 H40 N10 O8, mfg=95.83, tgt=, overall=95.83 ]" "(1241.6097, 2480.6663)(1242.6111, 1814.7161)(1243.6143, 899.9047)(1244.6163, 411.62)(1279.5748, 423.4833)(1280.5796, 448.3489)(1263.5927, 22894.674)(1264.5961, 16940.633)(1265.6012, 7130.78)(1266.6027, 2526.433)(1267.6, 712.84674)(621.30975, 309376.66)(622.3133, 111266.68)(623.3169, 26641.95)(624.31976, 4701.4414)(625.3172, 131.56)(659.2658, 20520.104)(660.2689, 7654.5864)(661.27185, 3366.8738)(662.2739, 1153.8806)(643.2916, 330944.9)(644.29486, 121292.016)(645.29926, 30970.453)(646.3048, 5892.734)(647.3081, 1559.1016)" C26 H40 N10 O8 + 24.186575 FindByFormula + 620.3036 24.186575 C26 H40 N12 O5 " [ C26 H40 N12 O5, mfg=97.57, tgt=, overall=97.57 ]" "(599.3165, 2582.01)(600.32, 865.83887)(601.3199, 208.32666)" C26 H40 N12 O5 FindByFormula - 600.3206 26.589888 C26 H40 N6 O4 " [ C26 H40 N6 O4, mfg=71.00, tgt=, overall=71.00 ]" "(499.3024, 1599.26)(500.30603, 597.495)" C26 H40 N6 O4 FindByFormula - 500.3138 12.271 C26 H40 N6 O5 " [ C26 H40 N6 O5, mfg=70.57, tgt=, overall=70.57 ]" "(515.29816, 1409.8467)(516.3006, 552.43335)" C26 H40 N6 O5 FindByFormula - 516.3045 13.610333 C26 H40 O3 " [ C26 H40 O3, mfg=64.95, tgt=, overall=64.95 ]" "(401.30795, 1660.895)(402.30664, 493.285)" C26 H40 O3 FindByFormula + 400.3005 10.1855 C26 H40 S " [ C26 H40 S, mfg=89.16, tgt=, overall=89.16 ]" "(385.2918, 5094.0864)(386.29407, 1232.4962)(387.2954, 536.26)" C26 H40 S FindByFormula + 384.2846 18.404388 C26 H41 N9 O4 " [ C26 H41 N9 O4, mfg=95.61, tgt=, overall=95.61 ]" "(272.6679, 1121.0833)(273.16797, 413.74435)(273.666, 147.1309)(544.3365, 132147.02)(545.3399, 38703.996)(546.3426, 7285.2603)(547.34436, 1316.3329)(566.314, 676.08)(567.306, 98.36)" C26 H41 N9 O4 FindByFormula + 543.3285 15.340484 C26 H42 N6 O4 " [ C26 H42 N6 O4, mfg=70.09, tgt=, overall=70.09 ]" "(501.31873, 1490.435)(502.32166, 594.85)" C26 H42 N6 O4 FindByFormula - 502.3257 12.841499 C26 H42 O18 " [ C26 H42 O18, mfg=95.06, tgt=, overall=95.06 ]" "(643.244, 35635.67)(644.2477, 10222.988)(645.2543, 3233.065)" C26 H42 O18 FindByFormula + 642.2356 1.4812499 C26 H43 N3 O6 " [ C26 H43 N3 O6, mfg=97.82, tgt=, overall=48.91 ]" "(494.32242, 11763.008)(495.32425, 3814.9065)(496.3297, 644.48254)(532.2792, 2311.6965)(516.30475, 19148.914)(517.30835, 5368.277)(518.31226, 1254.6078)" C26 H43 N3 O6 FindByFormula + 493.3172 13.5 C26 H43 N3 O7 S " [ C26 H43 N3 O7 S, mfg=91.01, tgt=, overall=91.01 ]" "(542.28784, 7196.72)(543.29266, 2460.0867)(544.2891, 982.8367)" C26 H43 N3 O7 S FindByFormula + 541.2759 10.615 C26 H43 N9 O3 " [ C26 H43 N9 O3, mfg=78.00, tgt=, overall=78.00 ]" "(530.3574, 13970.438)(531.3601, 4167.3174)" C26 H43 N9 O3 FindByFormula + 529.3514 16.046598 C26 H44 N10 O2 " [ C26 H44 N10 O2, mfg=75.00, tgt=, overall=75.00 ]" "(527.35754, 991.89246)(528.3594, 376.155)" C26 H44 N10 O2 FindByFormula - 528.3636 7.0012503 C26 H44 N16 O3 S " [ C26 H44 N16 O3 S, mfg=95.80, tgt=, overall=47.90 ]" "(661.35706, 2354.122)(662.3598, 915.2101)(663.3594, 309.555)" C26 H44 N16 O3 S FindByFormula + 660.3507 12.904699 C26 H44 N6 O S " [ C26 H44 N6 O S, mfg=88.84, tgt=, overall=88.84 ]" "(489.33893, 3807.159)(490.33963, 1163.6244)(491.33615, 365.59335)" C26 H44 N6 O S FindByFormula + 488.3325 15.282778 C26 H44 N6 O5 " [ C26 H44 N6 O5, mfg=98.42, tgt=, overall=98.42 ]" "(521.34454, 24063.064)(522.34814, 8125.233)(523.34973, 1434.1122)(524.36444, 448.41)" C26 H44 N6 O5 FindByFormula + 520.3365 18.293518 C26 H44 N6 O5 + 18.300125 " [ C26 H44 N6 O5, mfg=96.17, tgt=, overall=96.17 ]" "(521.3446, 19778.822)(522.3484, 6986.3613)(523.3497, 1097.3673)(524.3654, 627.23)" C26 H44 N6 O5 + 18.300125 FindByFormula + 520.3374 18.300125 C26 H44 N6 O5 + 18.681307 " [ C26 H44 N6 O5, mfg=94.08, tgt=, overall=94.08 ]" "(521.34454, 16068.118)(522.34845, 4953.9185)(523.3488, 1590.995)(524.3642, 343.255)" C26 H44 N6 O5 + 18.681307 FindByFormula + 520.3364 18.681307 C26 H44 N6 O6 " [ C26 H44 N6 O6, mfg=99.47, tgt=, overall=99.47 ]" "(537.3393, 26053.393)(538.3425, 8241.409)(539.3447, 1847.3057)(540.34357, 382.25473)" C26 H44 N6 O6 FindByFormula + 536.333 15.940706 C26 H44 N6 O6 + 15.820841 " [ C26 H44 N6 O6, mfg=98.46, tgt=, overall=98.46 ]" "(537.3393, 26946.627)(538.3425, 8783.129)(539.3455, 2244.806)(540.34644, 369.1475)" C26 H44 N6 O6 + 15.820841 FindByFormula + 536.3316 15.820841 C26 H44 N6 O6 + 15.941117 " [ C26 H44 N6 O6, mfg=99.48, tgt=, overall=99.48 ]" "(537.33936, 26870.654)(538.3429, 8469.709)(539.345, 1824.1887)(540.3466, 386.21667)" C26 H44 N6 O6 + 15.941117 FindByFormula + 536.3334 15.941117 C26 H44 N6 O6 + 15.95 " [ C26 H44 N6 O6, mfg=99.33, tgt=, overall=99.33 ]" "(537.33936, 26284.547)(538.3428, 8229.245)(539.34485, 1846.8925)(540.3437, 446.2307)" C26 H44 N6 O6 + 15.95 FindByFormula + 536.3321 15.95 C26 H44 N6 O6 + 16.249002 " [ C26 H44 N6 O6, mfg=95.93, tgt=, overall=95.93 ]" "(537.3393, 11071.282)(538.343, 3655.378)(539.34467, 1106.3999)(540.3423, 238.5625)" C26 H44 N6 O6 + 16.249002 FindByFormula + 536.3316 16.249002 C26 H44 O5 " [ C26 H44 O5, mfg=78.75, tgt=, overall=78.75 ]" "(437.32382, 619.32336)(459.3079, 4845.935)(460.31137, 1559.9381)" C26 H44 O5 FindByFormula + 436.3197 10.277833 C26 H44 O5 + 10.3362 " [ C26 H44 O5, mfg=76.15, tgt=, overall=76.15 ]" "(437.32315, 1053.58)(459.3068, 6954.368)(460.3107, 2198.8699)" C26 H44 O5 + 10.3362 FindByFormula + 436.3177 10.3362 C26 H44 O5 + 10.853 " [ C26 H44 O5, mfg=75.88, tgt=, overall=75.88 ]" "(459.3072, 504.9)(460.31055, 167.235)" C26 H44 O5 + 10.853 FindByFormula + 436.3181 10.853 C26 H45 N O8 S4 " [ C26 H45 N O8 S4, mfg=83.30, tgt=, overall=83.30 ]" "(628.2116, 3561.2305)(629.212, 1148.843)(630.20465, 878.2244)(650.1956, 312.49875)" C26 H45 N O8 S4 FindByFormula + 627.2061 14.523616 C26 H45 N3 O5 " [ C26 H45 N3 O5, mfg=69.64, tgt=, overall=69.64 ]" "(480.34265, 11983.376)(481.346, 2256.261)(502.32584, 27830.217)(503.3291, 7447.15)(504.34048, 62072.906)" C26 H45 N3 O5 FindByFormula + 479.337 15.520416 C26 H45 N3 O5 + 15.519666 " [ C26 H45 N3 O5, mfg=79.46, tgt=, overall=79.46 ]" "(480.3433, 45012.984)(481.34586, 12813.091)(502.3259, 137539.52)(503.32883, 36185.215)" C26 H45 N3 O5 + 15.519666 FindByFormula + 479.3381 15.519666 C26 H46 N24 O " [ C26 H46 N24 O, mfg=90.02, tgt=, overall=90.02 ]" "(711.43555, 9449.65)(712.4409, 4030.46)(713.4358, 727.265)" C26 H46 N24 O FindByFormula + 710.4301 18.796501 C26 H46 N8 O2 S " [ C26 H46 N8 O2 S, mfg=93.73, tgt=, overall=93.73 ]" "(535.35297, 2740.7175)(536.35803, 835.6225)(537.3534, 190.87)" C26 H46 N8 O2 S FindByFormula + 534.3455 19.43525 C26 H47 Cl N6 O7 " [ C26 H47 Cl N6 O7, mfg=81.98, tgt=, overall=81.98 ]" "(589.3116, 3835.373)(590.31464, 1410.7933)(591.3095, 1419.8232)" C26 H47 Cl N6 O7 FindByFormula - 590.3122 11.132335 C26 H47 N3 S2 " [ C26 H47 N3 S2, mfg=83.89, tgt=, overall=83.89 ]" "(969.595, 5331.813)(970.5967, 2923.36)(466.32556, 46148.094)(467.32956, 12340.668)(468.33844, 5796.9736)(469.33945, 1323.0286)(504.27908, 4955.437)(505.28006, 2019.7482)(506.28528, 803.6401)(488.3095, 35025.465)(489.3127, 9637.913)(490.32175, 4075.9973)(491.32193, 1237.1521)" C26 H47 N3 S2 FindByFormula + 465.321 17.614788 C26 H47 N9 O6 S " [ C26 H47 N9 O6 S, mfg=88.36, tgt=, overall=88.36 ]" "(1266.6385, 122.57)(614.34534, 13972.498)(615.3447, 4213.4575)(616.342, 1025.4878)(617.3344, 412.56497)" C26 H47 N9 O6 S FindByFormula + 613.3397 17.263779 C26 H48 N12 " [ C26 H48 N12, mfg=96.39, tgt=, overall=96.39 ]" "(265.2131, 16198.796)(265.71497, 5474.0933)(529.4196, 204329.31)(530.4226, 77143.33)(531.424, 15793.28)" C26 H48 N12 FindByFormula + 528.4135 7.758333 C26 H48 N12 O2 " [ C26 H48 N12 O2, mfg=89.73, tgt=, overall=89.73 ]" "(561.41046, 11244.592)(562.4133, 3960.0132)(563.3994, 731.45996)(583.3922, 8266.378)(584.39526, 2801.5889)(585.4009, 331.245)" C26 H48 N12 O2 FindByFormula + 560.4032 22.0583 C26 H48 O17 S " [ C26 H48 O17 S, mfg=84.60, tgt=, overall=84.60 ]" "(665.2662, 2907.127)(666.2703, 913.2416)(667.27893, 469.0094)" C26 H48 O17 S FindByFormula + 664.2588 15.5543165 C26 H49 Cl2 N O2 " [ C26 H49 Cl2 N O2, mfg=74.71, tgt=, overall=37.36 ]" "(478.3248, 6277.7603)(479.32822, 1633.554)(480.31253, 3230.1465)(481.31287, 1099.4099)" C26 H49 Cl2 N O2 FindByFormula + 477.3216 14.858 C26 H50 N12 O6 S " [ C26 H50 N12 O6 S, mfg=96.57, tgt=, overall=96.57 ]" "(657.36176, 2702.6182)(658.3643, 969.9634)(659.3647, 338.5)" C26 H50 N12 O6 S FindByFormula - 658.3659 13.1115 C26 H50 N14 O3 S3 " [ C26 H50 N14 O3 S3, mfg=82.39, tgt=, overall=82.39 ]" "(703.3416, 3558.54)(704.3425, 1248.5701)(705.351, 831.375)" C26 H50 N14 O3 S3 FindByFormula + 702.3327 13.121 C26 H50 N16 O3 " [ C26 H50 N16 O3, mfg=87.50, tgt=, overall=87.50 ]" "(635.4331, 10746.832)(636.4361, 3866.635)(637.42523, 1078.52)" C26 H50 N16 O3 FindByFormula + 634.4271 16.382668 C26 H50 N2 O10 " [ C26 H50 N2 O10, mfg=98.02, tgt=, overall=98.02 ]" "(551.3544, 1395198.9)(552.3586, 420023.97)(553.3611, 87648.516)(554.36316, 14245.759)(555.3613, 1816.435)" C26 H50 N2 O10 FindByFormula + 550.347 17.31575 C26 H50 N2 O10 + 17.321999 " [ C26 H50 N2 O10, mfg=98.00, tgt=, overall=98.00 ]" "(551.3544, 1439008.1)(552.3586, 432545.56)(553.36115, 90210.59)(554.36316, 15339.666)(555.36224, 2045.5809)" C26 H50 N2 O10 + 17.321999 FindByFormula + 550.3477 17.321999 C26 H50 N2 O10 + 17.665 " [ C26 H50 N2 O10, mfg=99.11, tgt=, overall=99.11 ]" "(551.35376, 349496.44)(552.3569, 112418.07)(553.359, 24988.996)(554.3612, 5057.85)" C26 H50 N2 O10 + 17.665 FindByFormula + 550.3457 17.665 C26 H50 N2 O10 + 17.67025 " [ C26 H50 N2 O10, mfg=98.81, tgt=, overall=98.81 ]" "(551.354, 253784.72)(552.35706, 82567.97)(553.3595, 18000.57)(554.3623, 2293.85)" C26 H50 N2 O10 + 17.67025 FindByFormula + 550.3458 17.67025 C26 H50 N2 O10 + 29.62 " [ C26 H50 N2 O10, mfg=94.44, tgt=, overall=94.44 ]" "(551.35364, 3086.345)(552.3586, 923.2374)(553.3556, 247.0075)" C26 H50 N2 O10 + 29.62 FindByFormula + 550.347 29.62 C26 H51 N7 O6 " [ C26 H51 N7 O6, mfg=72.31, tgt=, overall=72.31 ]" "(279.70526, 1221.485)(280.20685, 576.25)(558.3972, 907.265)(559.40204, 332.685)(580.3735, 559.21)" C26 H51 N7 O6 FindByFormula + 557.3929 3.23 C26 H52 Cl N3 O9 " [ C26 H52 Cl N3 O9, mfg=71.30, tgt=, overall=71.30 ]" "(586.3439, 3749.66)(587.35, 1277.55)(588.3502, 1538.75)(608.3368, 208.34)(609.3259, 152.1)" C26 H52 Cl N3 O9 FindByFormula + 585.34 1.1565001 C26 H52 N16 O2 " [ C26 H52 N16 O2, mfg=47.50, tgt=, overall=23.75 ]" "(621.4508, 10216.655)(622.46405, 359.4825)(659.40936, 789.07996)" C26 H52 N16 O2 FindByFormula + 620.4439 7.2015 C26 H52 N20 O3 " [ C26 H52 N20 O3, mfg=78.22, tgt=, overall=78.22 ]" "(693.46, 5761.8765)(694.4614, 2528.94)(695.4621, 917.214)(715.44336, 12122.674)(716.43896, 4736.954)(717.43463, 990.8519)" C26 H52 N20 O3 FindByFormula + 692.4597 7.1643996 C26 H53 N11 O4 " [ C26 H53 N11 O4, mfg=98.50, tgt=, overall=98.50 ]" "(582.42126, 9823.401)(583.42413, 3456.51)(584.4267, 720.62854)" C26 H53 N11 O4 FindByFormula - 583.4284 12.009142 C26 H53 N3 O S3 " [ C26 H53 N3 O S3, mfg=86.20, tgt=, overall=86.20 ]" "(1039.666, 2186.8584)(1040.6653, 1598.016)(1041.6605, 616.958)(1042.6602, 185.8775)(1062.6582, 689.31)(1063.1498, 541.7075)(1064.157, 746.0375)(1064.6552, 602.255)(1065.6699, 513.13)(520.3389, 19246.795)(521.3419, 6004.7812)(522.3443, 1209.5583)(523.3518, 444.50662)(558.2958, 2882.1672)(559.301, 888.0229)(560.30115, 510.03177)(542.3212, 34130.727)(543.32434, 10322.873)(544.3353, 5184.7075)(545.33826, 1129.235)" C26 H53 N3 O S3 FindByFormula + 519.3326 14.028242 C26 H53 N3 O S3 + 13.808913 " [ C26 H53 N3 O S3, mfg=79.04, tgt=, overall=79.04 ]" "(1061.6428, 1123.2)(1062.6434, 1238.85)(1063.6653, 801.27)(520.33844, 12358.199)(521.3405, 3845.9048)(522.34503, 850.08356)(523.3465, 377.02832)(558.29535, 2037.9872)(559.3034, 586.1014)(560.29675, 439.73636)(542.3208, 23882.525)(543.32367, 7295.371)(544.33325, 5365.4614)(545.3409, 2008.21)" C26 H53 N3 O S3 + 13.808913 FindByFormula + 519.3318 13.808913 C26 H53 N3 O S3 + 14.083429 " [ C26 H53 N3 O S3, mfg=85.11, tgt=, overall=85.11 ]" "(1039.6619, 1071.155)(1040.6641, 768.06)(1041.6647, 438.85498)(1063.147, 573.26)(1063.6667, 407.0)(1064.6702, 347.04)(1065.6825, 35.98)(520.3388, 18467.258)(521.34106, 5623.1743)(522.3449, 1246.8483)(523.34753, 229.11499)(558.2935, 3403.885)(559.29443, 1170.7224)(560.2961, 571.5025)(542.3205, 32923.82)(543.3238, 9956.719)(544.33496, 5404.5127)(545.3371, 1354.98)" C26 H53 N3 O S3 + 14.083429 FindByFormula + 519.3313 14.083429 C26 H53 N5 O2 S2 " [ C26 H53 N5 O2 S2, mfg=84.20, tgt=, overall=84.20 ]" "(532.3728, 2387.96)(533.37, 813.52997)(534.3728, 463.36002)" C26 H53 N5 O2 S2 FindByFormula + 531.3662 18.338 C26 H54 N2 O2 S2 " [ C26 H54 N2 O2 S2, mfg=86.32, tgt=, overall=86.32 ]" "(491.36884, 5109.406)(492.37173, 1727.1886)(493.36917, 550.0114)(513.3516, 8119.3525)(514.35474, 2433.95)(515.3643, 1067.465)" C26 H54 N2 O2 S2 FindByFormula + 490.3644 22.000713 C26 H55 N3 O S " [ C26 H55 N3 O S, mfg=66.49, tgt=, overall=66.49 ]" "(458.41745, 1499.7101)(459.41925, 595.335)(460.418, 99.22)(480.3992, 3749.86)(481.4033, 2489.48)(482.395, 629.75)" C26 H55 N3 O S FindByFormula + 457.4105 17.7805 C26 H56 N4 O " [ C26 H56 N4 O, mfg=91.69, tgt=, overall=91.69 ]" "(441.45337, 1775.6266)(442.45642, 564.37335)(443.4507, 112.4)" C26 H56 N4 O FindByFormula + 440.4449 10.304333 C26 H56 N4 O + 10.6995 " [ C26 H56 N4 O, mfg=72.52, tgt=, overall=72.52 ]" "(441.4527, 921.5)(442.45834, 323.05)" C26 H56 N4 O + 10.6995 FindByFormula + 440.4443 10.6995 C26 H56 N4 O + 9.624001 " [ C26 H56 N4 O, mfg=92.32, tgt=, overall=92.32 ]" "(441.4522, 2964.78)(442.45465, 1023.78503)(443.4575, 282.11)" C26 H56 N4 O + 9.624001 FindByFormula + 440.4453 9.624001 C26 H56 N6 O8 " [ C26 H56 N6 O8, mfg=94.34, tgt=, overall=94.34 ]" "(581.4225, 13692.49)(582.42725, 4322.25)(583.42456, 1143.54)(584.4317, 193.76)" C26 H56 N6 O8 FindByFormula + 580.4245 14.771 C26 H57 N7 O4 S3 " [ C26 H57 N7 O4 S3, mfg=82.07, tgt=, overall=82.07 ]" "(626.35736, 3977.4968)(627.358, 1270.4135)(628.3432, 699.29663)" C26 H57 N7 O4 S3 FindByFormula - 627.3618 7.007666 C26 H6 O15 S5 " [ C26 H6 O15 S5, mfg=80.53, tgt=, overall=80.53 ]" "(718.8371, 909.12665)(719.84344, 326.69)(720.8387, 290.69003)" C26 H6 O15 S5 FindByFormula + 717.8337 26.539001 C26 H7 N3 O19 " [ C26 H7 N3 O19, mfg=65.59, tgt=, overall=65.59 ]" "(699.9357, 380.67)(663.9623, 2990.0315)(664.965, 668.38837)" C26 H7 N3 O19 FindByFormula - 664.9695 6.758833 C27 H13 N7 O16 " [ C27 H13 N7 O16, mfg=68.19, tgt=, overall=68.19 ]" "(692.0488, 3814.3125)(693.0504, 1466.7275)(730.003, 292.985)(714.02405, 350.79248)" C27 H13 N7 O16 FindByFormula + 691.0422 6.8753753 C27 H15 N11 O6 " [ C27 H15 N11 O6, mfg=75.40, tgt=, overall=75.40 ]" "(588.113, 3208.52)(589.1169, 874.785)" C27 H15 N11 O6 FindByFormula - 589.1197 1.6585001 C27 H16 N4 O6 " [ C27 H16 N4 O6, mfg=97.87, tgt=, overall=97.87 ]" "(247.06079, 736.364)(247.55887, 222.26201)(493.11478, 5239.2847)(494.1178, 1482.1426)(495.12146, 324.2138)" C27 H16 N4 O6 FindByFormula + 492.1087 11.834762 C27 H17 N17 O2 " [ C27 H17 N17 O2, mfg=67.75, tgt=, overall=67.75 ]" "(612.1831, 1327.4401)(613.18225, 564.9667)" C27 H17 N17 O2 FindByFormula + 611.175 26.025 C27 H18 N2 O3 " [ C27 H18 N2 O3, mfg=69.20, tgt=, overall=69.20 ]" "(419.14127, 1711.0)(420.14005, 471.10336)" C27 H18 N2 O3 FindByFormula + 418.1338 3.2316666 C27 H23 N17 " [ C27 H23 N17, mfg=76.47, tgt=, overall=76.47 ]" "(586.2408, 5048.796)(587.2417, 1829.3102)" C27 H23 N17 FindByFormula + 585.2332 15.129801 C27 H23 N21 O " [ C27 H23 N21 O, mfg=75.41, tgt=, overall=75.41 ]" "(656.232, 1759.3667)(657.235, 524.135)" C27 H23 N21 O FindByFormula - 657.2351 14.514999 C27 H24 O5 " [ C27 H24 O5, mfg=89.91, tgt=, overall=89.91 ]" "(429.16937, 10041.8)(430.17078, 2676.365)(431.17676, 891.065)(451.1474, 708.36)" C27 H24 O5 FindByFormula + 428.1623 9.6325 C27 H24 O5 - 20.167501 " [ C27 H24 O5, mfg=67.50, tgt=, overall=67.50 ]" "(427.15482, 1192.1317)(428.15637, 455.3383)" C27 H24 O5 - 20.167501 FindByFormula - 428.1602 20.167501 C27 H25 N19 S2 " [ C27 H25 N19 S2, mfg=65.05, tgt=, overall=65.05 ]" "(680.2074, 2696.46)(681.20264, 1074.0549)(682.1878, 190.92)" C27 H25 N19 S2 FindByFormula + 679.2002 15.184999 C27 H25 N7 " [ C27 H25 N7, mfg=66.03, tgt=, overall=66.03 ]" "(446.21307, 1970.085)(447.208, 715.82)" C27 H25 N7 FindByFormula - 447.2176 7.4585 C27 H28 N14 O3 " [ C27 H28 N14 O3, mfg=76.85, tgt=, overall=76.85 ]" "(595.2401, 1352.735)(596.2438, 460.465)" C27 H28 N14 O3 FindByFormula - 596.2489 13.7005005 C27 H28 N4 O " [ C27 H28 N4 O, mfg=71.86, tgt=, overall=35.93 ]" "(425.23578, 2338.692)(426.232, 691.48)" C27 H28 N4 O FindByFormula + 424.2305 7.4902 C27 H28 O2 " [ C27 H28 O2, mfg=94.47, tgt=, overall=94.47 ]" "(419.17944, 1086.0449)(383.20148, 10772.285)(384.20526, 2691.6301)(385.2135, 419.78)" C27 H28 O2 FindByFormula - 384.2081 8.957001 C27 H29 N3 O3 " [ C27 H29 N3 O3, mfg=64.84, tgt=, overall=64.84 ]" "(444.22607, 4944.9863)(445.2322, 1867.0918)" C27 H29 N3 O3 FindByFormula + 443.218 11.122833 C27 H30 N12 O3 S2 " [ C27 H30 N12 O3 S2, mfg=94.92, tgt=, overall=47.46 ]" "(1307.8596, 688.66003)(1308.8579, 539.385)(1291.3932, 584.7)(635.20874, 4613.505)(636.2109, 1512.1179)(637.20667, 679.8614)" C27 H30 N12 O3 S2 FindByFormula + 634.2026 13.722 C27 H30 N2 O7 S " [ C27 H30 N2 O7 S, mfg=93.68, tgt=, overall=93.68 ]" "(527.18317, 48211.633)(528.1863, 16635.135)(529.1864, 6741.16)(530.187, 1839.5258)(531.1923, 355.13004)" C27 H30 N2 O7 S FindByFormula + 526.1782 19.016907 C27 H30 N2 O7 S + 19.015223 " [ C27 H30 N2 O7 S, mfg=94.29, tgt=, overall=94.29 ]" "(527.1839, 56355.676)(528.1871, 19436.258)(529.1874, 7710.8647)" C27 H30 N2 O7 S + 19.015223 FindByFormula + 526.1714 19.015223 C27 H31 Cl N8 O4 " [ C27 H31 Cl N8 O4, mfg=71.91, tgt=, overall=35.96 ]" "(1171.387, 126.24)(567.2206, 2005.9525)(568.22656, 743.9775)(569.2242, 742.45)" C27 H31 Cl N8 O4 FindByFormula + 566.2132 12.3532505 C27 H32 N12 O2 " [ C27 H32 N12 O2, mfg=96.67, tgt=, overall=96.67 ]" "(555.2696, 4818.7603)(556.2731, 1573.8915)(557.278, 350.81003)" C27 H32 N12 O2 FindByFormula - 556.2784 17.242285 C27 H32 N12 O2 - 17.24 " [ C27 H32 N12 O2, mfg=78.39, tgt=, overall=78.39 ]" "(555.2689, 6165.912)(556.27246, 2035.1898)" C27 H32 N12 O2 - 17.24 FindByFormula - 556.276 17.24 C27 H32 N2 O3 " [ C27 H32 N2 O3, mfg=70.81, tgt=, overall=70.81 ]" "(431.23618, 785.714)(432.237, 247.029)" C27 H32 N2 O3 FindByFormula - 432.2433 7.347 C27 H32 N2 O3 - 8.8465 " [ C27 H32 N2 O3, mfg=78.25, tgt=, overall=78.25 ]" "(431.23273, 1629.97)(432.2364, 467.82)" C27 H32 N2 O3 - 8.8465 FindByFormula - 432.2405 8.8465 C27 H33 N9 O5 S2 " [ C27 H33 N9 O5 S2, mfg=85.38, tgt=, overall=85.38 ]" "(628.2134, 4367.66)(629.21356, 1540.9486)(630.2062, 625.89)(650.1956, 200.06)" C27 H33 N9 O5 S2 FindByFormula + 627.2066 14.469001 C27 H34 N14 " [ C27 H34 N14, mfg=93.61, tgt=, overall=93.61 ]" "(553.3026, 7427.1226)(554.30444, 2160.5325)(555.3025, 345.7425)" C27 H34 N14 FindByFormula - 554.3091 6.8935 C27 H34 N16 O2 " [ C27 H34 N16 O2, mfg=75.02, tgt=, overall=75.02 ]" "(613.29816, 1079.6699)(614.3002, 430.945)" C27 H34 N16 O2 FindByFormula - 614.3072 12.156 C27 H34 N16 O2 - 12.156 " [ C27 H34 N16 O2, mfg=75.02, tgt=, overall=75.02 ]" "(613.29816, 1079.6699)(614.3002, 430.945)" C27 H34 N16 O2 - 12.156 FindByFormula - 614.3045 12.156 C27 H34 O6 " [ C27 H34 O6, mfg=96.46, tgt=, overall=96.46 ]" "(453.229, 3322.2742)(454.23212, 1042.114)(455.23297, 259.65997)(456.2352, 118.335)" C27 H34 O6 FindByFormula - 454.2392 13.0566 C27 H35 N5 S " [ C27 H35 N5 S, mfg=64.27, tgt=, overall=64.27 ]" "(462.2681, 1094.665)(463.273, 427.665)" C27 H35 N5 S FindByFormula + 461.262 1.268 C27 H36 N14 O3 " [ C27 H36 N14 O3, mfg=95.70, tgt=, overall=95.70 ]" "(605.3152, 1080.7144)(606.3142, 364.6722)(607.31866, 219.694)(627.2979, 6149.156)(628.30084, 2318.3809)(629.3001, 523.7923)" C27 H36 N14 O3 FindByFormula + 604.3097 24.306232 C27 H37 N13 " [ C27 H37 N13, mfg=94.36, tgt=, overall=94.36 ]" "(272.66824, 1185.2314)(273.16898, 505.96768)(273.66687, 136.39415)(544.3367, 193993.95)(545.3403, 55525.297)(546.3431, 10445.439)(547.34283, 384.65817)" C27 H37 N13 FindByFormula + 543.3227 15.328377 C27 H37 N13 + 15.347783 " [ C27 H37 N13, mfg=96.78, tgt=, overall=96.78 ]" "(272.6697, 233.25)(273.1706, 89.58)(273.6798, 43.45)(544.3371, 134761.88)(545.34033, 40988.68)(546.34283, 7966.275)(547.3311, 366.5)(566.31506, 1847.5787)(567.3211, 701.68)(568.32196, 639.68005)" C27 H37 N13 + 15.347783 FindByFormula + 543.3309 15.347783 C27 H37 N13 O " [ C27 H37 N13 O, mfg=73.52, tgt=, overall=73.52 ]" "(560.328, 1851.86)(561.3344, 478.96)(582.312, 2358.4934)(583.31635, 881.95996)" C27 H37 N13 O FindByFormula + 559.3242 11.295334 C27 H38 N14 " [ C27 H38 N14, mfg=72.27, tgt=, overall=72.27 ]" "(557.3345, 3266.5127)(558.33215, 1033.7225)" C27 H38 N14 FindByFormula - 558.3443 8.1065 C27 H38 N8 O2 " [ C27 H38 N8 O2, mfg=78.49, tgt=, overall=78.49 ]" "(507.31894, 2183.38)(508.3214, 584.72003)(529.2991, 743.61)(530.2883, 78.62)" C27 H38 N8 O2 FindByFormula + 506.3109 13.2145 C27 H39 Cl N4 O4 S " [ C27 H39 Cl N4 O4 S, mfg=62.56, tgt=, overall=31.28 ]" "(551.2467, 2372.4827)(552.24664, 1233.41)(553.24005, 880.64996)" C27 H39 Cl N4 O4 S FindByFormula + 550.2354 13.705714 C27 H39 N11 O8 S2 " [ C27 H39 N11 O8 S2, mfg=96.30, tgt=, overall=96.30 ]" "(710.2493, 5649.6074)(711.2524, 1768.5511)(712.2517, 799.36957)(713.25006, 245.61714)(748.20966, 398.0088)(732.23413, 994.7822)(733.2365, 449.67215)(734.2503, 476.47003)" C27 H39 N11 O8 S2 FindByFormula + 709.2421 14.765045 C27 H39 N13 " [ C27 H39 N13, mfg=89.53, tgt=, overall=89.53 ]" "(546.3508, 863.6341)(547.352, 389.62167)(548.355, 154.51)(568.33624, 4055.5837)(569.3374, 1569.8147)(570.3357, 292.49463)" C27 H39 N13 FindByFormula + 545.3487 14.80877 C27 H39 N13 + 14.837375 " [ C27 H39 N13, mfg=89.50, tgt=, overall=89.50 ]" "(546.35004, 1008.0984)(547.3499, 299.85004)(568.3361, 4336.911)(569.3365, 1698.7612)(570.33636, 316.2738)" C27 H39 N13 + 14.837375 FindByFormula + 545.3481 14.837375 C27 H39 N5 O7 " [ C27 H39 N5 O7, mfg=85.57, tgt=, overall=85.57 ]" "(544.27466, 987.07007)(545.2898, 346.87)(546.28235, 97.685)" C27 H39 N5 O7 FindByFormula - 545.2856 7.09 C27 H40 N10 O13 " [ C27 H40 N10 O13, mfg=94.68, tgt=, overall=94.68 ]" "(713.2854, 8217.755)(714.28845, 2469.1292)(715.287, 768.25696)" C27 H40 N10 O13 FindByFormula + 712.2783 26.6177 C27 H40 N10 O13 + 26.590399 " [ C27 H40 N10 O13, mfg=94.70, tgt=, overall=94.70 ]" "(713.2852, 8412.736)(714.28754, 2499.282)(715.28754, 820.06995)" C27 H40 N10 O13 + 26.590399 FindByFormula + 712.2786 26.590399 C27 H40 N12 S2 " [ C27 H40 N12 S2, mfg=81.33, tgt=, overall=81.33 ]" "(595.2853, 3391.5552)(596.28876, 1111.74)(597.2942, 692.33997)" C27 H40 N12 S2 FindByFormula - 596.2912 14.91475 C27 H40 N18 O3 " [ C27 H40 N18 O3, mfg=69.05, tgt=, overall=69.05 ]" "(665.36035, 706.205)(666.359, 275.75)" C27 H40 N18 O3 FindByFormula + 664.3503 1.1405001 C27 H40 N2 O7 S5 " [ C27 H40 N2 O7 S5, mfg=79.75, tgt=, overall=79.75 ]" "(665.1488, 1849.47)(666.1553, 588.425)(667.1494, 565.44495)" C27 H40 N2 O7 S5 FindByFormula + 664.1422 15.172501 C27 H40 N22 O " [ C27 H40 N22 O, mfg=75.18, tgt=, overall=75.18 ]" "(687.3677, 2088.77)(688.3716, 808.36)" C27 H40 N22 O FindByFormula - 688.3744 11.908501 C27 H40 N4 O9 " [ C27 H40 N4 O9, mfg=94.20, tgt=, overall=94.20 ]" "(565.288, 10366.177)(566.28986, 2843.57)(567.2911, 424.75662)" C27 H40 N4 O9 FindByFormula + 564.2746 7.81 C27 H40 N8 O9 " [ C27 H40 N8 O9, mfg=98.42, tgt=, overall=98.42 ]" "(619.2846, 19061.559)(620.28784, 6017.2705)(621.2902, 1676.2773)" C27 H40 N8 O9 FindByFormula - 620.2904 15.527691 C27 H40 N8 O9 - 15.142572 " [ C27 H40 N8 O9, mfg=97.23, tgt=, overall=97.23 ]" "(619.2847, 4192.6025)(620.2879, 1454.4114)(621.29065, 426.4157)" C27 H40 N8 O9 - 15.142572 FindByFormula - 620.2942 15.142572 C27 H40 N8 O9 - 15.5058 " [ C27 H40 N8 O9, mfg=98.64, tgt=, overall=98.64 ]" "(619.285, 22700.426)(620.2881, 7279.354)(621.2908, 1947.1013)(622.2935, 151.45)" C27 H40 N8 O9 - 15.5058 FindByFormula - 620.2924 15.5058 C27 H41 Cl N10 O5 S2 " [ C27 H41 Cl N10 O5 S2, mfg=94.01, tgt=, overall=94.01 ]" "(685.24536, 7847.8296)(686.2505, 2913.6174)(687.2443, 4194.1353)(688.2478, 1420.9425)(689.2475, 363.67572)" C27 H41 Cl N10 O5 S2 FindByFormula + 684.242 24.164623 C27 H41 N S " [ C27 H41 N S, mfg=66.46, tgt=, overall=66.46 ]" "(412.30322, 3524.2449)(413.30627, 1380.4651)" C27 H41 N S FindByFormula + 411.2988 12.135 C27 H41 N19 O3 " [ C27 H41 N19 O3, mfg=66.74, tgt=, overall=66.74 ]" "(678.3562, 1097.4363)(679.3562, 484.2425)" C27 H41 N19 O3 FindByFormula - 679.3605 6.8250003 C27 H41 N3 O4 " [ C27 H41 N3 O4, mfg=77.01, tgt=, overall=77.01 ]" "(470.3027, 1907.49)(471.3039, 612.25)" C27 H41 N3 O4 FindByFormula - 471.3079 8.562 C27 H41 N5 O9 S " [ C27 H41 N5 O9 S, mfg=90.45, tgt=, overall=90.45 ]" "(612.2695, 11944.793)(613.27496, 4168.4136)(614.2745, 1585.1533)(650.2193, 867.9)(634.2512, 3927.77)(635.2634, 834.0)(636.2546, 321.46)" C27 H41 N5 O9 S FindByFormula + 611.2612 8.572667 C27 H41 N7 O3 " [ C27 H41 N7 O3, mfg=98.54, tgt=, overall=49.27 ]" "(512.3331, 2872.17)(513.3377, 1104.9149)(514.3389, 400.5363)(550.2876, 402.4471)(534.31604, 4284.374)(535.31866, 1293.4761)(536.32153, 283.969)" C27 H41 N7 O3 FindByFormula + 511.3244 13.134084 C27 H42 N4 O6 S " [ C27 H42 N4 O6 S, mfg=93.31, tgt=, overall=93.31 ]" "(549.2752, 8335.11)(550.2776, 2842.945)(551.28076, 868.295)" C27 H42 N4 O6 S FindByFormula - 550.2837 10.472 C27 H42 N6 O12 " [ C27 H42 N6 O12, mfg=94.43, tgt=, overall=94.43 ]" "(643.29193, 317180.72)(644.29504, 116462.52)(645.2995, 29708.037)(646.3044, 4437.739)(647.31134, 910.4567)" C27 H42 N6 O12 FindByFormula + 642.2853 24.178213 C27 H42 N6 O12 + 24.178076 " [ C27 H42 N6 O12, mfg=95.00, tgt=, overall=95.00 ]" "(643.29205, 332701.84)(644.2952, 122840.86)(645.2995, 31237.785)(646.3059, 6138.1123)(647.3058, 1885.7258)" C27 H42 N6 O12 + 24.178076 FindByFormula + 642.286 24.178076 C27 H42 O S " [ C27 H42 O S, mfg=88.99, tgt=, overall=88.99 ]" "(415.30237, 4237.2466)(416.30545, 1078.2268)(417.29825, 310.6433)" C27 H42 O S FindByFormula + 414.2947 16.875778 C27 H43 N11 O6 " [ C27 H43 N11 O6, mfg=96.36, tgt=, overall=96.36 ]" "(618.34485, 5232.9526)(619.3384, 1834.5524)(620.33356, 414.61664)(656.3055, 2360.325)(657.30914, 779.1413)(640.3301, 21637.896)(641.3311, 7198.8657)(642.3331, 1582.8223)(643.3475, 471.12)" C27 H43 N11 O6 FindByFormula + 617.338 7.591734 C27 H43 N7 O2 " [ C27 H43 N7 O2, mfg=79.27, tgt=, overall=79.27 ]" "(498.3573, 926.42334)(499.35547, 515.075)(520.33795, 9190.482)(521.3397, 2871.2388)" C27 H43 N7 O2 FindByFormula + 497.3473 13.767375 C27 H43 N7 O2 + 13.307667 " [ C27 H43 N7 O2, mfg=79.26, tgt=, overall=79.26 ]" "(498.35486, 2310.925)(499.35596, 920.06995)(520.33624, 3334.6897)(521.34033, 979.76)" C27 H43 N7 O2 + 13.307667 FindByFormula + 497.3458 13.307667 C27 H43 N7 O2 + 13.32775 " [ C27 H43 N7 O2, mfg=80.87, tgt=, overall=80.87 ]" "(498.35526, 2113.5535)(499.35684, 818.13995)(520.3367, 3084.0073)(521.3396, 947.465)" C27 H43 N7 O2 + 13.32775 FindByFormula + 497.3472 13.32775 C27 H43 N7 O2 + 13.886616 " [ C27 H43 N7 O2, mfg=80.03, tgt=, overall=80.03 ]" "(498.3551, 624.55)(499.3573, 179.64)(520.33777, 10583.355)(521.34033, 3367.9897)" C27 H43 N7 O2 + 13.886616 FindByFormula + 497.3498 13.886616 C27 H44 N10 O3 " [ C27 H44 N10 O3, mfg=76.26, tgt=, overall=76.26 ]" "(555.35376, 2201.12)(556.3545, 675.125)" C27 H44 N10 O3 FindByFormula - 556.3613 6.8310003 C27 H44 N10 O3 - 7.0544996 " [ C27 H44 N10 O3, mfg=71.11, tgt=, overall=71.11 ]" "(555.35254, 1841.0249)(556.3523, 681.87)" C27 H44 N10 O3 - 7.0544996 FindByFormula - 556.359 7.0544996 C27 H44 N10 O7 " [ C27 H44 N10 O7, mfg=93.87, tgt=, overall=93.87 ]" "(621.3416, 3515.4565)(622.34955, 1753.8779)(623.3577, 453.79556)(659.31335, 855.5354)(643.3275, 11224.724)(644.33154, 4351.909)(645.33185, 990.30255)" C27 H44 N10 O7 FindByFormula + 620.3371 25.734375 C27 H44 N16 O2 " [ C27 H44 N16 O2, mfg=97.97, tgt=, overall=97.97 ]" "(625.3905, 14748.734)(626.3937, 5311.561)(627.3969, 635.59)(628.3868, 96.65)" C27 H44 N16 O2 FindByFormula + 624.3845 16.035353 C27 H44 N20 O5 " [ C27 H44 N20 O5, mfg=96.91, tgt=, overall=96.91 ]" "(729.388, 20596.275)(730.39075, 7559.585)(731.3965, 1384.265)" C27 H44 N20 O5 FindByFormula + 728.3857 8.695499 C27 H44 N22 O " [ C27 H44 N22 O, mfg=74.35, tgt=, overall=74.35 ]" "(691.39966, 1472.275)(692.40173, 618.445)" C27 H44 N22 O FindByFormula - 692.4114 19.4845 C27 H45 N O13 " [ C27 H45 N O13, mfg=94.05, tgt=, overall=94.05 ]" "(590.2822, 5984.3896)(591.28625, 1622.09)(592.2809, 283.865)" C27 H45 N O13 FindByFormula - 591.2894 6.5235 C27 H45 N O5 " [ C27 H45 N O5, mfg=67.26, tgt=, overall=67.26 ]" "(464.33618, 2277.23)(465.33804, 867.604)" C27 H45 N O5 FindByFormula + 463.3276 12.865 C27 H45 N O5 + 13.473499 " [ C27 H45 N O5, mfg=66.46, tgt=, overall=66.46 ]" "(464.33496, 2049.805)(465.3428, 717.60004)" C27 H45 N O5 + 13.473499 FindByFormula + 463.3285 13.473499 C27 H46 N6 O4 " [ C27 H46 N6 O4, mfg=68.39, tgt=, overall=68.39 ]" "(519.36426, 974.29)(520.36725, 402.56)" C27 H46 N6 O4 FindByFormula + 518.3563 21.998001 C27 H46 N6 O6 " [ C27 H46 N6 O6, mfg=97.90, tgt=, overall=97.90 ]" "(551.35455, 1441071.4)(552.35876, 433417.22)(553.3613, 90464.31)(554.3639, 14139.141)(555.3643, 1983.3782)(556.3541, 982.91)" C27 H46 N6 O6 FindByFormula + 550.3474 17.321001 C27 H46 N6 O6 + 17.321428 " [ C27 H46 N6 O6, mfg=97.90, tgt=, overall=97.90 ]" "(551.35455, 1437137.0)(552.35876, 432201.28)(553.36127, 90266.625)(554.36334, 15371.622)" C27 H46 N6 O6 + 17.321428 FindByFormula + 550.3474 17.321428 C27 H46 N6 O6 + 28.3805 " [ C27 H46 N6 O6, mfg=96.68, tgt=, overall=96.68 ]" "(551.3559, 1932.04)(552.3578, 623.17004)(553.3584, 145.61)" C27 H46 N6 O6 + 28.3805 FindByFormula + 550.3479 28.3805 C27 H46 N6 S " [ C27 H46 N6 S, mfg=90.95, tgt=, overall=90.95 ]" "(487.3591, 3551.6648)(488.36136, 970.65)(489.35675, 258.2382)" C27 H46 N6 S FindByFormula + 486.3533 19.388548 C27 H46 N8 O4 S3 " [ C27 H46 N8 O4 S3, mfg=84.37, tgt=, overall=84.37 ]" "(643.2841, 1894.1865)(644.2806, 474.93997)(645.29047, 121.305)(665.268, 2237.2932)(666.2702, 773.2233)(667.279, 484.43002)" C27 H46 N8 O4 S3 FindByFormula + 642.278 15.633332 C27 H46 O13 S2 " [ C27 H46 O13 S2, mfg=86.62, tgt=, overall=86.62 ]" "(643.2447, 34951.957)(644.2472, 10231.788)(645.2544, 5940.535)" C27 H46 O13 S2 FindByFormula + 642.2362 1.4932499 C27 H47 N O4 " [ C27 H47 N O4, mfg=67.00, tgt=, overall=67.00 ]" "(450.35654, 1631.3969)(451.36096, 658.54834)" C27 H47 N O4 FindByFormula + 449.3472 14.809834 C27 H47 N O5 " [ C27 H47 N O5, mfg=61.41, tgt=, overall=61.41 ]" "(466.3528, 1948.7968)(467.35242, 776.4466)" C27 H47 N O5 FindByFormula + 465.3424 13.214334 C27 H47 N13 S " [ C27 H47 N13 S, mfg=81.84, tgt=, overall=81.84 ]" "(1193.7727, 259.65)(293.70203, 1952.6849)(294.20114, 773.76337)(586.3891, 3796.831)(587.38995, 1598.0575)(588.38245, 551.838)(608.37115, 3301.3184)(609.3736, 1015.59503)(610.3832, 200.70499)" C27 H47 N13 S FindByFormula + 585.3855 6.795667 C27 H48 N2 O12 S2 " [ C27 H48 N2 O12 S2, mfg=89.25, tgt=, overall=89.25 ]" "(657.27045, 5384.05)(658.27435, 1634.04)(659.27625, 845.85)" C27 H48 N2 O12 S2 FindByFormula + 656.2629 6.682 C27 H48 N22 O " [ C27 H48 N22 O, mfg=70.51, tgt=, overall=70.51 ]" "(697.44586, 9727.1875)(698.4497, 4187.0713)" C27 H48 N22 O FindByFormula + 696.4366 17.738144 C27 H48 N22 O4 " [ C27 H48 N22 O4, mfg=69.10, tgt=, overall=69.10 ]" "(743.416, 1553.22)(744.41565, 676.095)" C27 H48 N22 O4 FindByFormula - 744.4194 8.623 C27 H48 N6 O9 " [ C27 H48 N6 O9, mfg=95.84, tgt=, overall=95.84 ]" "(599.3402, 7611.775)(600.34485, 2670.795)(601.34485, 672.345)" C27 H48 N6 O9 FindByFormula - 600.348 11.14 C27 H49 N O14 " [ C27 H49 N O14, mfg=95.49, tgt=, overall=95.49 ]" "(612.3234, 13790.967)(613.32697, 4503.8267)(614.3256, 1317.6486)(615.3245, 279.7075)" C27 H49 N O14 FindByFormula + 611.3154 15.356302 C27 H49 N O5 " [ C27 H49 N O5, mfg=58.83, tgt=, overall=58.83 ]" "(468.36673, 1389.7175)(469.3734, 613.28)" C27 H49 N O5 FindByFormula + 467.3597 13.97575 C27 H49 N O5 + 13.982666 " [ C27 H49 N O5, mfg=61.43, tgt=, overall=61.43 ]" "(468.36703, 1632.7734)(469.3712, 747.85333)" C27 H49 N O5 + 13.982666 FindByFormula + 467.3593 13.982666 C27 H49 N15 " [ C27 H49 N15, mfg=85.07, tgt=, overall=85.07 ]" "(584.4352, 5351.3857)(585.4387, 2310.974)(586.44617, 466.23)(606.4163, 2182.6133)(607.4185, 810.1367)" C27 H49 N15 FindByFormula + 583.4313 12.0458 C27 H49 N15 + 12.081333 " [ C27 H49 N15, mfg=89.70, tgt=, overall=89.70 ]" "(584.43555, 7024.4297)(585.4385, 2911.8835)(586.44525, 605.0267)(622.3891, 474.32666)(606.4173, 2531.255)(607.4186, 830.485)(608.42303, 223.36499)" C27 H49 N15 + 12.081333 FindByFormula + 583.4295 12.081333 C27 H51 N O4 " [ C27 H51 N O4, mfg=94.89, tgt=, overall=94.89 ]" "(454.3886, 5824.506)(455.39136, 1995.9924)(456.39233, 367.74313)(476.36752, 729.69006)(477.36868, 234.54918)" C27 H51 N O4 FindByFormula + 453.3764 16.978943 C27 H51 N O4 + 16.970562 " [ C27 H51 N O4, mfg=96.45, tgt=, overall=96.45 ]" "(454.3883, 6433.618)(455.3916, 2124.745)(456.39273, 374.70627)(476.3684, 852.1509)" C27 H51 N O4 + 16.970562 FindByFormula + 453.38 16.970562 C27 H51 N O4 + 16.996447 " [ C27 H51 N O4, mfg=77.37, tgt=, overall=77.37 ]" "(454.3884, 5882.0415)(455.39145, 1965.7339)(476.3676, 781.54144)" C27 H51 N O4 + 16.996447 FindByFormula + 453.3813 16.996447 C27 H51 N25 O " [ C27 H51 N25 O, mfg=69.04, tgt=, overall=69.04 ]" "(742.48016, 4329.7725)(743.47894, 1357.1575)" C27 H51 N25 O FindByFormula + 741.4765 18.098 C27 H52 N10 O5 S " [ C27 H52 N10 O5 S, mfg=93.82, tgt=, overall=93.82 ]" "(627.37775, 4764.33)(628.37805, 1644.3881)(629.38153, 560.35)" C27 H52 N10 O5 S FindByFormula - 628.3866 8.6378 C27 H52 N16 O9 " [ C27 H52 N16 O9, mfg=92.76, tgt=, overall=92.76 ]" "(1513.8525, 160.51)(745.41895, 37415.867)(746.4198, 13546.354)(747.41785, 3558.816)(748.41583, 1184.264)(783.3919, 254.81)(784.3626, 626.2)(767.3994, 136.06667)" C27 H52 N16 O9 FindByFormula + 744.4103 8.2943325 C27 H52 N2 O9 S " [ C27 H52 N2 O9 S, mfg=90.31, tgt=, overall=90.31 ]" "(581.3469, 5286.0034)(582.34937, 1929.5444)(583.3444, 639.30444)" C27 H52 N2 O9 S FindByFormula + 580.3417 22.914444 C27 H53 N O3 " [ C27 H53 N O3, mfg=43.88, tgt=, overall=43.88 ]" "(440.40918, 1225.7839)(441.4077, 595.064)" C27 H53 N O3 FindByFormula + 439.4027 15.854401 C27 H53 N O4 " [ C27 H53 N O4, mfg=97.01, tgt=, overall=97.01 ]" "(456.40485, 10140.607)(457.40707, 3325.5244)(458.41092, 425.43246)(478.38492, 1347.6879)" C27 H53 N O4 FindByFormula + 455.3977 18.585625 C27 H53 N O4 + 18.580715 " [ C27 H53 N O4, mfg=96.83, tgt=, overall=96.83 ]" "(456.40482, 10944.544)(457.407, 3579.43)(458.41043, 444.3415)(478.3826, 1156.827)" C27 H53 N O4 + 18.580715 FindByFormula + 455.3964 18.580715 C27 H53 N O5 " [ C27 H53 N O5, mfg=68.90, tgt=, overall=68.90 ]" "(472.39975, 3637.7883)(473.39935, 1244.84)" C27 H53 N O5 FindByFormula + 471.3943 16.328 C27 H53 N O5 + 16.358833 " [ C27 H53 N O5, mfg=67.79, tgt=, overall=67.79 ]" "(472.3994, 3311.6018)(473.39914, 1134.1383)" C27 H53 N O5 + 16.358833 FindByFormula + 471.3928 16.358833 C27 H55 N O4 " [ C27 H55 N O4, mfg=90.27, tgt=, overall=90.27 ]" "(458.41898, 1516.7745)(459.41913, 635.6238)(480.40134, 5013.184)(481.4037, 1589.5448)(482.40256, 338.25867)" C27 H55 N O4 FindByFormula + 457.4139 18.058268 C27 H58 N6 O14 S " [ C27 H58 N6 O14 S, mfg=70.72, tgt=, overall=70.72 ]" "(723.3716, 2083.055)(724.3811, 273.99)(745.3608, 6944.32)(746.3727, 1693.57)(747.3742, 229.0)" C27 H58 N6 O14 S FindByFormula + 722.3688 7.969 C27 H59 N11 O10 " [ C27 H59 N11 O10, mfg=66.76, tgt=, overall=66.76 ]" "(698.4528, 4561.2627)(699.4534, 1041.2281)" C27 H59 N11 O10 FindByFormula + 697.4452 17.930952 C27 H59 N11 O10 + 17.848373 " [ C27 H59 N11 O10, mfg=65.81, tgt=, overall=65.81 ]" "(698.4532, 4694.55)(699.4535, 1080.025)" C27 H59 N11 O10 + 17.848373 FindByFormula + 697.4441 17.848373 C27 H60 N12 O7 S2 " [ C27 H60 N12 O7 S2, mfg=85.32, tgt=, overall=42.66 ]" "(365.21365, 1787.775)(365.71597, 529.9075)(366.21765, 305.71)(729.41504, 359.04666)(730.4174, 367.86)(751.3906, 407.7)(752.391, 171.66)" C27 H60 N12 O7 S2 FindByFormula + 728.4108 3.92825 C28 H14 N6 O2 " [ C28 H14 N6 O2, mfg=76.80, tgt=, overall=76.80 ]" "(467.12534, 3054.0225)(468.12628, 865.1275)" C28 H14 N6 O2 FindByFormula + 466.1162 10.0985 C28 H16 N12 O2 " [ C28 H16 N12 O2, mfg=72.41, tgt=, overall=72.41 ]" "(553.1604, 1739.21)(554.15894, 554.605)" C28 H16 N12 O2 FindByFormula + 552.152 7.547 C28 H18 N8 O2 " [ C28 H18 N8 O2, mfg=79.59, tgt=, overall=79.59 ]" "(499.16284, 1929.0779)(500.16608, 643.37805)(521.146, 588.6833)" C28 H18 N8 O2 FindByFormula + 498.156 12.9974 C28 H20 N8 O3 " [ C28 H20 N8 O3, mfg=74.78, tgt=, overall=74.78 ]" "(517.1668, 697.06)(539.1552, 1417.2599)(540.1552, 456.78665)" C28 H20 N8 O3 FindByFormula + 516.1629 15.393333 C28 H21 N5 O2 " [ C28 H21 N5 O2, mfg=65.13, tgt=, overall=65.13 ]" "(460.17804, 3107.79)(461.1825, 1255.765)" C28 H21 N5 O2 FindByFormula + 459.1703 7.7685 C28 H25 N23 O " [ C28 H25 N23 O, mfg=75.31, tgt=, overall=75.31 ]" "(700.2683, 2780.3499)(701.26874, 996.0833)" C28 H25 N23 O FindByFormula + 699.2636 15.507667 C28 H27 N " [ C28 H27 N, mfg=99.30, tgt=, overall=99.30 ]" "(378.2215, 6472.1445)(379.22485, 2063.195)(380.2268, 359.11035)" C28 H27 N FindByFormula + 377.2142 21.270468 C28 H27 N + 21.264965 " [ C28 H27 N, mfg=97.17, tgt=, overall=97.17 ]" "(378.22128, 6348.777)(379.22443, 2071.069)(380.225, 372.57)" C28 H27 N + 21.264965 FindByFormula + 377.2139 21.264965 C28 H28 N10 O10 S " [ C28 H28 N10 O10 S, mfg=94.37, tgt=, overall=94.37 ]" "(1393.3326, 638.97)(697.1778, 3095.979)(698.1817, 1048.0464)(699.1818, 469.08334)(719.1623, 596.9175)" C28 H28 N10 O10 S FindByFormula + 696.1708 13.647454 C28 H28 N10 O10 S + 13.626401 " [ C28 H28 N10 O10 S, mfg=90.82, tgt=, overall=90.82 ]" "(1393.3442, 109.83)(697.1784, 3082.894)(698.18115, 1138.614)(699.1737, 402.66998)(719.1726, 490.99)" C28 H28 N10 O10 S + 13.626401 FindByFormula + 696.1736 13.626401 C28 H28 N18 O3 " [ C28 H28 N18 O3, mfg=77.03, tgt=, overall=77.03 ]" "(665.266, 4164.778)(666.26904, 1452.6575)" C28 H28 N18 O3 FindByFormula + 664.2601 15.467249 C28 H28 N8 O11 S3 " [ C28 H28 N8 O11 S3, mfg=83.85, tgt=, overall=83.85 ]" "(749.10925, 1215.3575)(750.1124, 417.41748)(751.12225, 250.4575)" C28 H28 N8 O11 S3 FindByFormula + 748.0981 15.211999 C28 H30 N14 O " [ C28 H30 N14 O, mfg=77.11, tgt=, overall=77.11 ]" "(579.28064, 1587.98)(580.28296, 474.625)(601.26, 1643.36)(602.2643, 151.36)" C28 H30 N14 O FindByFormula + 578.2727 13.409 C28 H30 N2 O3 " [ C28 H30 N2 O3, mfg=68.03, tgt=, overall=68.03 ]" "(443.23462, 2585.305)(444.23346, 933.06)" C28 H30 N2 O3 FindByFormula + 442.2258 11.526 C28 H31 N11 O5 S " [ C28 H31 N11 O5 S, mfg=88.24, tgt=, overall=88.24 ]" "(634.2297, 2363.4417)(635.23114, 781.68335)(636.23865, 321.646)(656.2118, 1830.8198)(657.2214, 682.6225)" C28 H31 N11 O5 S FindByFormula + 633.2211 17.611334 C28 H31 N15 " [ C28 H31 N15, mfg=69.87, tgt=, overall=69.87 ]" "(578.2959, 3803.5598)(579.30194, 1476.0333)" C28 H31 N15 FindByFormula + 577.2873 14.727333 C28 H31 N9 O9 " [ C28 H31 N9 O9, mfg=95.15, tgt=, overall=95.15 ]" "(638.2319, 4113.975)(639.2322, 1457.75)(640.2393, 326.9)" C28 H31 N9 O9 FindByFormula + 637.2229 15.725166 C28 H32 N10 O2 " [ C28 H32 N10 O2, mfg=67.51, tgt=, overall=67.51 ]" "(539.26385, 1259.72)(540.2661, 582.815)" C28 H32 N10 O2 FindByFormula - 540.2718 17.775 C28 H36 N12 O5 " [ C28 H36 N12 O5, mfg=98.32, tgt=, overall=98.32 ]" "(619.28564, 21696.834)(620.28876, 6982.1226)(621.2915, 1555.734)(622.2926, 743.1433)" C28 H36 N12 O5 FindByFormula - 620.2951 15.500699 C28 H38 N12 O5 " [ C28 H38 N12 O5, mfg=94.12, tgt=, overall=94.12 ]" "(621.30084, 1667.4901)(622.3044, 591.87335)(623.3047, 44.86)" C28 H38 N12 O5 FindByFormula - 622.3048 16.597666 C28 H38 N14 O8 " [ C28 H38 N14 O8, mfg=97.22, tgt=, overall=97.22 ]" "(699.30634, 4408.44)(700.3084, 1622.495)(701.3134, 428.565)" C28 H38 N14 O8 FindByFormula + 698.3028 20.4615 C28 H39 N11 O6 S2 " [ C28 H39 N11 O6 S2, mfg=93.08, tgt=, overall=93.08 ]" "(690.2602, 2592.7456)(691.2619, 854.72424)(692.2631, 430.7543)" C28 H39 N11 O6 S2 FindByFormula + 689.2533 15.375571 C28 H39 N15 O2 " [ C28 H39 N15 O2, mfg=77.10, tgt=, overall=77.10 ]" "(616.33453, 36021.586)(617.33594, 11433.441)" C28 H39 N15 O2 FindByFormula - 617.3421 7.6157227 C28 H39 N15 O2 - 7.611445 " [ C28 H39 N15 O2, mfg=76.55, tgt=, overall=76.55 ]" "(616.3341, 27503.303)(617.33484, 8871.611)" C28 H39 N15 O2 - 7.611445 FindByFormula - 617.3382 7.611445 C28 H39 N15 O3 " [ C28 H39 N15 O3, mfg=75.67, tgt=, overall=75.67 ]" "(632.3281, 1063.0057)(633.3295, 384.40997)" C28 H39 N15 O3 FindByFormula - 633.3343 20.262573 C28 H40 N10 O2 " [ C28 H40 N10 O2, mfg=89.69, tgt=, overall=89.69 ]" "(549.34155, 3656.3699)(550.34204, 1299.4299)(551.33844, 251.945)" C28 H40 N10 O2 FindByFormula + 548.3375 16.079 C28 H40 N14 O4 + 23.838001 " [ C28 H40 N14 O4, mfg=93.19, tgt=, overall=46.60 ]" "(637.3508, 577.43)(638.3557, 213.46)(675.2978, 7929.315)(676.3004, 3016.4697)(677.2997, 931.4741)" C28 H40 N14 O4 + 23.838001 FindByFormula + 636.3336 23.838001 C28 H41 N O17 " [ C28 H41 N O17, mfg=95.46, tgt=, overall=95.46 ]" "(664.2452, 5714.2856)(665.2494, 1539.9191)(666.2513, 461.53333)(667.2513, 106.305)" C28 H41 N O17 FindByFormula + 663.2384 14.791251 C28 H41 N O17 + 14.7628355 " [ C28 H41 N O17, mfg=96.46, tgt=, overall=96.46 ]" "(664.2441, 7020.726)(665.2487, 1955.8365)(666.2503, 623.595)(667.2673, 99.36)" C28 H41 N O17 + 14.7628355 FindByFormula + 663.2366 14.7628355 C28 H41 N O17 + 14.7694025 " [ C28 H41 N O17, mfg=97.09, tgt=, overall=97.09 ]" "(664.2442, 6313.118)(665.24835, 1811.5546)(666.2485, 550.46796)" C28 H41 N O17 + 14.7694025 FindByFormula + 663.2376 14.7694025 C28 H41 N O5 S " [ C28 H41 N O5 S, mfg=86.69, tgt=, overall=86.69 ]" "(252.6419, 10595.976)(253.143, 3235.99)(504.27716, 18418.324)(505.28143, 5113.205)(506.2881, 1880.6699)" C28 H41 N O5 S FindByFormula + 503.2731 17.5695 C28 H41 N O6 S " [ C28 H41 N O6 S, mfg=91.23, tgt=, overall=91.23 ]" "(260.64148, 3954.97)(261.13583, 772.14667)(520.2715, 6289.278)(521.27716, 1770.6625)(522.27563, 531.25336)(558.2137, 166.91)(542.2559, 440.90665)" C28 H41 N O6 S FindByFormula + 519.2687 16.76675 C28 H41 N15 O S3 " [ C28 H41 N15 O S3, mfg=83.52, tgt=, overall=83.52 ]" "(700.2864, 1798.9974)(701.28735, 784.28503)(702.28516, 554.17505)(738.2512, 885.805)(739.2605, 197.23)" C28 H41 N15 O S3 FindByFormula + 699.2803 14.823501 C28 H41 N3 S " [ C28 H41 N3 S, mfg=84.70, tgt=, overall=84.70 ]" "(452.31015, 5637.3)(453.3137, 2130.62)(454.3169, 605.685)" C28 H41 N3 S FindByFormula + 451.3013 9.341 C28 H41 N5 O9 S2 " [ C28 H41 N5 O9 S2, mfg=84.71, tgt=, overall=84.71 ]" "(656.2432, 4932.117)(657.24316, 1642.2563)(658.2363, 707.8246)" C28 H41 N5 O9 S2 FindByFormula + 655.2399 16.795818 C28 H41 N7 O6 S " [ C28 H41 N7 O6 S, mfg=97.50, tgt=, overall=97.50 ]" "(604.29144, 6704.017)(605.2944, 2088.679)(606.2938, 721.4101)(626.27405, 3973.3296)(627.2763, 1231.8818)(628.2871, 1336.4108)(629.2957, 495.27124)" C28 H41 N7 O6 S FindByFormula + 603.285 14.04706 C28 H41 N9 O4 " [ C28 H41 N9 O4, mfg=91.01, tgt=, overall=91.01 ]" "(568.3355, 4379.3027)(569.3362, 1537.4501)(570.33405, 294.464)" C28 H41 N9 O4 FindByFormula + 567.329 14.795091 C28 H41 N9 O5 S2 " [ C28 H41 N9 O5 S2, mfg=97.79, tgt=, overall=97.79 ]" "(648.2753, 9621.744)(649.27826, 3325.4495)(650.27356, 1379.4524)(651.27246, 459.72397)(686.22876, 216.685)(687.24133, 134.265)(670.261, 1283.1323)(671.2574, 607.9375)(672.2612, 619.215)" C28 H41 N9 O5 S2 FindByFormula + 647.2653 14.794036 C28 H41 N9 O5 S2 + 14.732955 " [ C28 H41 N9 O5 S2, mfg=97.71, tgt=, overall=97.71 ]" "(1295.5243, 466.04333)(648.2754, 10046.01)(649.27826, 3414.9255)(650.2744, 1386.1455)(651.27386, 404.29712)(686.2307, 234.97365)(687.2257, 111.01799)(688.2416, 326.73)(670.2608, 1316.7393)(671.26385, 534.04114)(672.26355, 269.85217)" C28 H41 N9 O5 S2 + 14.732955 FindByFormula + 647.2677 14.732955 C28 H42 N20 O S " [ C28 H42 N20 O S, mfg=94.83, tgt=, overall=94.83 ]" "(707.3638, 2634.85)(708.365, 1098.9751)(709.36395, 382.04498)(745.3264, 206.22)(729.34814, 890.99)" C28 H42 N20 O S FindByFormula + 706.3545 10.5305 C28 H42 N8 O12 " [ C28 H42 N8 O12, mfg=99.01, tgt=, overall=99.01 ]" "(681.2848, 7954.4004)(682.28754, 2800.8284)(683.29095, 664.0328)" C28 H42 N8 O12 FindByFormula - 682.2973 6.9451823 C28 H43 N O7 S " [ C28 H43 N O7 S, mfg=91.60, tgt=, overall=91.60 ]" "(1097.5366, 1664.78)(1098.5638, 1128.0349)(1099.5618, 432.905)(538.2783, 5280.6504)(539.28076, 1857.5249)(540.2763, 686.095)(576.23987, 1457.9651)(577.2355, 655.13)(560.2634, 23514.34)(561.2687, 6772.58)(562.26685, 2615.585)(563.2641, 579.61)" C28 H43 N O7 S FindByFormula + 537.2743 9.9715 C28 H43 N S " [ C28 H43 N S, mfg=86.23, tgt=, overall=86.23 ]" "(426.32004, 4721.6567)(427.31863, 1360.0254)(428.31854, 255.34361)" C28 H43 N S FindByFormula + 425.3097 15.750727 C28 H43 N3 O3 " [ C28 H43 N3 O3, mfg=80.44, tgt=, overall=80.44 ]" "(235.67236, 1765.7968)(236.1736, 534.07)(470.33142, 1394.02)(471.33636, 467.24)(492.3132, 579.41)(493.3146, 240.14)" C28 H43 N3 O3 FindByFormula + 469.328 5.8532495 C28 H43 N3 O3 + 6.2235003 " [ C28 H43 N3 O3, mfg=78.23, tgt=, overall=78.23 ]" "(235.6723, 4458.54)(236.1735, 1177.74)(470.3331, 1653.88)(471.33575, 519.61)" C28 H43 N3 O3 + 6.2235003 FindByFormula + 469.3277 6.2235003 C28 H43 N3 O5 " [ C28 H43 N3 O5, mfg=76.61, tgt=, overall=76.61 ]" "(500.31302, 3154.525)(501.31445, 875.39746)" C28 H43 N3 O5 FindByFormula - 501.3169 8.04775 C28 H43 N7 O5 " [ C28 H43 N7 O5, mfg=70.53, tgt=, overall=70.53 ]" "(556.3252, 2488.245)(557.327, 1020.49)" C28 H43 N7 O5 FindByFormula - 557.3321 11.4325 C28 H43 N7 O6 S " [ C28 H43 N7 O6 S, mfg=96.72, tgt=, overall=96.72 ]" "(606.3069, 19490.031)(607.30945, 6128.5034)(608.30994, 1495.1805)(609.3147, 359.71732)(628.28894, 10658.321)(629.293, 3865.3064)(630.2929, 962.1694)" C28 H43 N7 O6 S FindByFormula + 605.3 15.374811 C28 H44 N10 O4 " [ C28 H44 N10 O4, mfg=65.34, tgt=, overall=65.34 ]" "(583.34753, 917.31995)(584.35, 445.21)" C28 H44 N10 O4 FindByFormula - 584.3568 7.717 C28 H44 N16 " [ C28 H44 N16, mfg=97.16, tgt=, overall=97.16 ]" "(603.3863, 5445.25)(604.3895, 2130.1326)(605.39026, 514.41003)" C28 H44 N16 FindByFormula - 604.3991 13.096499 C28 H44 N16 O " [ C28 H44 N16 O, mfg=74.79, tgt=, overall=74.79 ]" "(619.38086, 1269.0076)(620.3844, 511.875)" C28 H44 N16 O FindByFormula - 620.3878 12.0285 C28 H44 N2 O2 S " [ C28 H44 N2 O2 S, mfg=89.86, tgt=, overall=89.86 ]" "(473.31964, 7123.094)(474.32242, 2334.1099)(475.31522, 854.92456)(495.3003, 4094.042)(496.3024, 1460.1292)" C28 H44 N2 O2 S FindByFormula + 472.3132 24.509848 C28 H44 N2 O5 " [ C28 H44 N2 O5, mfg=72.82, tgt=, overall=72.82 ]" "(489.3313, 1586.2913)(490.3339, 574.54877)" C28 H44 N2 O5 FindByFormula + 488.3237 23.495499 C28 H44 N4 O13 " [ C28 H44 N4 O13, mfg=98.07, tgt=, overall=98.07 ]" "(645.2979, 7631.1587)(646.30237, 2470.564)(647.3035, 547.487)" C28 H44 N4 O13 FindByFormula + 644.2913 26.765 C28 H44 N4 O13 - 15.3595 " [ C28 H44 N4 O13, mfg=98.81, tgt=, overall=98.81 ]" "(643.2833, 2472.191)(644.2868, 846.8888)(645.2892, 210.84622)" C28 H44 N4 O13 - 15.3595 FindByFormula - 644.2895 15.3595 C28 H44 N6 O6 S " [ C28 H44 N6 O6 S, mfg=89.35, tgt=, overall=44.67 ]" "(297.15558, 1339.975)(297.6584, 642.98)(593.31055, 6194.475)(594.3159, 1880.635)(595.3167, 718.46)" C28 H44 N6 O6 S FindByFormula + 592.3061 11.1045 C28 H44 O2 S " [ C28 H44 O2 S, mfg=94.76, tgt=, overall=94.76 ]" "(445.3133, 4484.9575)(446.3163, 1169.74)(447.3139, 319.615)" C28 H44 O2 S FindByFormula + 444.3036 15.407999 C28 H45 N O4 " [ C28 H45 N O4, mfg=73.76, tgt=, overall=73.76 ]" "(460.34113, 2517.646)(461.34317, 843.57404)" C28 H45 N O4 FindByFormula + 459.3356 8.906199 C28 H45 N O5 " [ C28 H45 N O5, mfg=98.95, tgt=, overall=98.95 ]" "(476.33716, 13458.304)(477.3398, 4352.6025)(478.3422, 831.35333)" C28 H45 N O5 FindByFormula + 475.3292 8.907687 C28 H45 N O5 + 8.917167 " [ C28 H45 N O5, mfg=96.59, tgt=, overall=96.59 ]" "(476.3362, 12828.336)(477.33878, 4170.2227)(478.3417, 788.22504)" C28 H45 N O5 + 8.917167 FindByFormula + 475.3301 8.917167 C28 H45 N11 O5 " [ C28 H45 N11 O5, mfg=72.74, tgt=, overall=72.74 ]" "(614.3542, 1485.4567)(615.3537, 521.12665)" C28 H45 N11 O5 FindByFormula - 615.3636 8.136333 C28 H45 N11 O5 - 7.625 " [ C28 H45 N11 O5, mfg=67.25, tgt=, overall=67.25 ]" "(614.35406, 1904.8713)(615.3522, 740.02856)" C28 H45 N11 O5 - 7.625 FindByFormula - 615.361 7.625 C28 H45 N5 O10 " [ C28 H45 N5 O10, mfg=96.63, tgt=, overall=96.63 ]" "(1263.5964, 207.94)(612.3236, 21316.35)(613.3271, 6873.143)(614.3252, 1657.5732)(615.32025, 614.23)" C28 H45 N5 O10 FindByFormula + 611.3155 15.39136 C28 H45 N7 O3 S " [ C28 H45 N7 O3 S, mfg=81.67, tgt=, overall=81.67 ]" "(280.67654, 284.68997)(281.17117, 160.27)(560.33905, 12003.328)(561.3379, 4909.6265)(562.3361, 1364.28)(598.298, 1043.3285)(582.3227, 6368.7837)(583.3165, 2882.4824)(584.3142, 1185.1239)" C28 H45 N7 O3 S FindByFormula + 559.3324 1.1331111 C28 H45 N9 O4 " [ C28 H45 N9 O4, mfg=70.87, tgt=, overall=70.87 ]" "(572.36536, 6107.87)(573.37317, 1931.4457)" C28 H45 N9 O4 FindByFormula + 571.3571 17.765429 C28 H46 N2 O3 S2 + 17.426588 " [ C28 H46 N2 O3 S2, mfg=96.13, tgt=, overall=48.07 ]" "(523.3028, 59663.375)(524.3051, 18454.66)(525.3028, 7884.52)" C28 H46 N2 O3 S2 + 17.426588 FindByFormula + 522.2972 17.426588 C28 H47 N11 O3 " [ C28 H47 N11 O3, mfg=64.96, tgt=, overall=64.96 ]" "(293.70242, 2164.3367)(294.19922, 836.1501)" C28 H47 N11 O3 FindByFormula + 585.3939 6.7858334 C28 H47 N11 O5 " [ C28 H47 N11 O5, mfg=70.63, tgt=, overall=70.63 ]" "(618.3835, 2513.093)(619.38336, 958.44995)" C28 H47 N11 O5 FindByFormula + 617.3732 10.297333 C28 H47 N3 O6 " [ C28 H47 N3 O6, mfg=97.29, tgt=, overall=97.29 ]" "(1043.6976, 3373.5613)(1044.6956, 1961.2186)(1045.6937, 719.9266)(1046.6974, 223.60857)(1082.664, 262.30002)(1083.6919, 215.21)(1084.6941, 61.1)(1065.6812, 3129.7766)(1066.6783, 1897.1702)(1067.6842, 659.36444)(1068.6748, 389.3033)(1069.6879, 201.98)(522.3546, 58404.59)(523.3561, 17912.932)(524.3577, 4010.1772)(525.35675, 1009.30817)(560.3107, 11217.661)(561.3133, 3451.3943)(562.31104, 1219.7717)(563.30804, 358.89246)(544.3366, 170315.3)(545.3399, 49843.906)(546.3423, 9516.795)(547.34485, 1359.0305)(548.3439, 284.72)" C28 H47 N3 O6 FindByFormula + 521.3475 15.3817 C28 H47 N3 O6 + 15.105527 " [ C28 H47 N3 O6, mfg=98.95, tgt=, overall=98.95 ]" "(1043.6979, 3296.4)(1044.6882, 1792.56)(1081.7228, 139.36)(1082.6697, 431.41)(1083.699, 327.04)(1084.6992, 248.42)(1065.679, 146.62)(1066.6788, 196.51)(1067.6733, 40.57)(522.3531, 24921.852)(523.354, 8091.2812)(524.35675, 1618.4719)(525.36176, 608.28503)(560.3085, 4085.644)(561.3062, 1458.8937)(562.30676, 952.68)(544.3362, 56354.098)(545.3392, 17351.709)(546.3435, 2998.8972)(547.34973, 317.695)" C28 H47 N3 O6 + 15.105527 FindByFormula + 521.3446 15.105527 C28 H47 N3 O6 + 15.391909 " [ C28 H47 N3 O6, mfg=95.48, tgt=, overall=95.48 ]" "(1043.6962, 4293.166)(1044.6946, 2980.174)(1045.702, 3411.9734)(1046.6967, 948.4466)(1065.6792, 74829.85)(1066.674, 44462.516)(1067.6825, 16140.184)(1068.6902, 12495.93)(1069.6969, 2534.99)(522.355, 68307.58)(523.3564, 20803.326)(524.35986, 3239.3867)(525.35614, 904.1813)(560.3112, 10884.598)(561.3134, 3400.1973)(562.3149, 2869.5789)(563.3193, 2464.545)(544.3369, 167103.73)(545.3403, 47964.16)(546.34247, 9076.15)(547.3448, 1859.9023)" C28 H47 N3 O6 + 15.391909 FindByFormula + 521.3479 15.391909 C28 H47 N3 O6 + 15.406875 " [ C28 H47 N3 O6, mfg=97.77, tgt=, overall=97.77 ]" "(1043.6985, 3033.446)(1044.6985, 1696.3679)(1045.7075, 1222.6901)(1046.7002, 419.115)(1047.6954, 117.23)(1082.1355, 109.9975)(1082.6548, 153.55)(1083.6707, 67.12)(1065.6792, 3470.245)(1066.6802, 1664.105)(1067.6794, 933.73)(1068.6768, 367.22)(522.3547, 44573.266)(523.35675, 13554.626)(524.3595, 2953.6763)(525.356, 679.94666)(560.31055, 6294.4766)(561.31506, 2304.6758)(562.3104, 1133.5684)(563.31165, 620.95996)(544.3364, 106893.5)(545.3399, 31459.871)(546.34204, 6046.1714)(547.34326, 1296.8875)" C28 H47 N3 O6 + 15.406875 FindByFormula + 521.3479 15.406875 C28 H47 N7 O12 S2 " [ C28 H47 N7 O12 S2, mfg=90.49, tgt=, overall=90.49 ]" "(738.2795, 1983.1283)(739.28094, 673.06165)(740.28076, 442.41672)(760.26746, 193.006)" C28 H47 N7 O12 S2 FindByFormula + 737.2739 17.242832 C28 H48 N16 O2 " [ C28 H48 N16 O2, mfg=74.36, tgt=, overall=74.36 ]" "(639.4073, 1986.3833)(640.4095, 818.6133)" C28 H48 N16 O2 FindByFormula - 640.415 13.428 C28 H48 N6 O6 " [ C28 H48 N6 O6, mfg=95.97, tgt=, overall=95.97 ]" "(565.3708, 16850.123)(566.374, 5664.9946)(567.3749, 1731.9142)(568.3795, 402.64752)" C28 H48 N6 O6 FindByFormula + 564.3633 18.496866 C28 H48 N6 O6 + 18.146929 " [ C28 H48 N6 O6, mfg=97.08, tgt=, overall=97.08 ]" "(565.37054, 20806.23)(566.37384, 7742.243)(567.3742, 1669.2272)(568.37683, 380.79776)" C28 H48 N6 O6 + 18.146929 FindByFormula + 564.3631 18.146929 C28 H48 N6 O6 + 18.146929 :1 " [ C28 H48 N6 O6, mfg=97.08, tgt=, overall=97.08 ]" "(565.37054, 20806.23)(566.37384, 7742.243)(567.3742, 1669.2272)(568.37683, 380.79776)" C28 H48 N6 O6 + 18.146929 :1 FindByFormula + 564.3633 18.146929 C28 H48 N6 O6 + 18.146929 :2 " [ C28 H48 N6 O6, mfg=97.07, tgt=, overall=97.07 ]" "(565.37054, 20806.23)(566.37384, 7742.243)(567.3742, 1669.2272)(568.37665, 396.3)" C28 H48 N6 O6 + 18.146929 :2 FindByFormula + 564.3631 18.146929 C28 H48 N6 O7 " [ C28 H48 N6 O7, mfg=98.12, tgt=, overall=98.12 ]" "(581.3649, 20542.63)(582.3684, 7075.115)(583.36914, 1522.7014)(584.3656, 231.65)" C28 H48 N6 O7 FindByFormula + 580.3579 15.921125 C28 H48 N6 O7 + 15.918707 " [ C28 H48 N6 O7, mfg=99.47, tgt=, overall=99.47 ]" "(581.36536, 23846.48)(582.3688, 8067.4717)(583.37103, 1805.89)(584.3724, 440.52563)" C28 H48 N6 O7 + 15.918707 FindByFormula + 580.3578 15.918707 C28 H48 N6 O7 + 15.935353 " [ C28 H48 N6 O7, mfg=99.34, tgt=, overall=99.34 ]" "(581.36536, 24050.312)(582.3687, 8104.827)(583.371, 1816.5986)" C28 H48 N6 O7 + 15.935353 FindByFormula + 580.3588 15.935353 C28 H48 N6 O7 + 15.935353 :1 " [ C28 H48 N6 O7, mfg=99.50, tgt=, overall=99.50 ]" "(581.36536, 24050.312)(582.3687, 8104.827)(583.371, 1816.5986)(584.37335, 451.3386)" C28 H48 N6 O7 + 15.935353 :1 FindByFormula + 580.3574 15.935353 C28 H48 N6 S " [ C28 H48 N6 S, mfg=90.83, tgt=, overall=90.83 ]" "(501.37543, 4606.2314)(502.3772, 1400.3367)(503.3755, 432.68863)" C28 H48 N6 S FindByFormula + 500.367 21.173502 C28 H48 O14 " [ C28 H48 O14, mfg=93.11, tgt=, overall=93.11 ]" "(1239.5773, 729.75)(609.31165, 12435.75)(610.31635, 3799.4048)(611.3225, 1105.74)" C28 H48 O14 FindByFormula + 608.3033 7.8952503 C28 H49 N11 S5 " [ C28 H49 N11 S5, mfg=75.35, tgt=, overall=75.35 ]" "(700.2868, 1880.1731)(701.2877, 949.4188)(702.28107, 739.48895)(738.25085, 1061.332)(739.251, 418.156)" C28 H49 N11 S5 FindByFormula + 699.2805 14.734499 C28 H49 N3 O6 " [ C28 H49 N3 O6, mfg=98.00, tgt=, overall=98.00 ]" "(1047.731, 3236.543)(1048.7285, 2756.9238)(1049.7225, 416.6525)(1069.7097, 1634.2632)(1070.7089, 867.78326)(1071.7013, 258.50998)(1072.7085, 102.68)(524.36914, 64765.176)(525.3718, 18961.389)(526.3742, 3687.2803)(527.3751, 737.118)(562.3249, 14045.647)(563.3332, 4280.796)(564.3282, 1820.0594)(565.3327, 204.13)(546.3569, 146700.48)(547.36005, 43693.22)(548.36163, 8591.752)(549.3569, 1261.0667)" C28 H49 N3 O6 FindByFormula + 523.3644 17.283958 C28 H5 N3 O19 " [ C28 H5 N3 O19, mfg=81.35, tgt=, overall=81.35 ]" "(687.9611, 18105.865)(688.9632, 4084.62)(689.9675, 659.95996)" C28 H5 N3 O19 FindByFormula + 686.9574 6.8846664 C28 H50 N6 O10 S2 " [ C28 H50 N6 O10 S2, mfg=95.21, tgt=, overall=95.21 ]" "(693.2962, 2531.4402)(694.2988, 865.3934)(695.2968, 369.17)" C28 H50 N6 O10 S2 FindByFormula - 694.2997 8.878334 C28 H51 N11 O3 " [ C28 H51 N11 O3, mfg=99.25, tgt=, overall=99.25 ]" "(590.4253, 44121.35)(591.42804, 15450.0205)(592.43024, 3364.7607)(593.42975, 837.37256)" C28 H51 N11 O3 FindByFormula + 589.4174 17.220144 C28 H51 N11 O3 + 17.222036 " [ C28 H51 N11 O3, mfg=98.79, tgt=, overall=98.79 ]" "(590.4251, 44397.59)(591.4279, 15618.775)(592.4298, 3729.5479)(593.4265, 957.9353)" C28 H51 N11 O3 + 17.222036 FindByFormula + 589.4177 17.222036 C28 H52 N22 S " [ C28 H52 N22 S, mfg=91.05, tgt=, overall=91.05 ]" "(727.44, 4870.245)(728.44226, 1858.435)(729.43494, 370.3)" C28 H52 N22 S FindByFormula - 728.4429 6.456 C28 H52 N6 O7 S3 " [ C28 H52 N6 O7 S3, mfg=83.99, tgt=, overall=83.99 ]" "(681.3128, 8188.0703)(682.3169, 2707.0498)(683.32007, 1654.595)" C28 H52 N6 O7 S3 FindByFormula + 680.3055 9.591 C28 H52 O5 " [ C28 H52 O5, mfg=86.62, tgt=, overall=86.62 ]" "(469.386, 857.225)(491.3695, 5756.42)(492.3713, 1829.5349)(493.3761, 653.595)" C28 H52 O5 FindByFormula + 468.3806 22.431 C28 H53 N3 O S " [ C28 H53 N3 O S, mfg=94.17, tgt=, overall=94.17 ]" "(480.3992, 2944.7493)(481.4022, 1055.4941)(482.40176, 358.3567)" C28 H53 N3 O S FindByFormula + 479.3953 17.749334 C28 H53 N3 O S3 " [ C28 H53 N3 O S3, mfg=87.22, tgt=, overall=87.22 ]" "(544.3354, 8722.759)(545.34033, 1983.4633)(546.3437, 418.0275)(566.321, 9168.676)(567.3246, 2901.9106)(568.3355, 1725.315)(569.328, 488.47858)" C28 H53 N3 O S3 FindByFormula + 543.3312 14.101765 C28 H53 N7 O9 " [ C28 H53 N7 O9, mfg=96.37, tgt=, overall=96.37 ]" "(630.38293, 6474.938)(631.38617, 2463.397)(632.3876, 640.52405)" C28 H53 N7 O9 FindByFormula - 631.3866 14.678299 C28 H54 N16 O3 " [ C28 H54 N16 O3, mfg=99.10, tgt=, overall=99.10 ]" "(663.4641, 5898.5454)(664.467, 2122.7856)(665.46893, 463.06836)" C28 H54 N16 O3 FindByFormula + 662.4555 19.234 C28 H54 N16 O4 " [ C28 H54 N16 O4, mfg=89.07, tgt=, overall=89.07 ]" "(679.45935, 10827.008)(680.4617, 4253.095)(681.4539, 1093.8325)(682.4524, 496.6)" C28 H54 N16 O4 FindByFormula + 678.4506 16.32875 C28 H54 N6 O S2 " [ C28 H54 N6 O S2, mfg=89.12, tgt=, overall=44.56 ]" "(278.1976, 2548.2651)(278.6986, 792.33997)(279.1934, 314.12)(555.38684, 2268.02)(556.38306, 889.025)(577.3658, 2068.8264)(578.35657, 1362.795)" C28 H54 N6 O S2 FindByFormula + 554.3788 6.6579995 C28 H54 N6 O4 " [ C28 H54 N6 O4, mfg=87.91, tgt=, overall=87.91 ]" "(537.41235, 2482.188)(538.4155, 859.576)(539.423, 288.61798)" C28 H54 N6 O4 FindByFormula - 538.4213 22.0676 C28 H54 O12 S " [ C28 H54 O12 S, mfg=91.06, tgt=, overall=91.06 ]" "(613.3259, 32863.75)(614.3324, 9767.335)(615.32874, 2425.3398)(616.3292, 802.41)" C28 H54 O12 S FindByFormula - 614.3318 7.9909997 C28 H55 N15 O7 " [ C28 H55 N15 O7, mfg=71.70, tgt=, overall=71.70 ]" "(714.449, 4161.2036)(715.4508, 1150.675)" C28 H55 N15 O7 FindByFormula + 713.4416 15.820099 C28 H56 N2 O5 S2 " [ C28 H56 N2 O5 S2, mfg=91.12, tgt=, overall=91.12 ]" "(565.3706, 13933.41)(566.374, 4501.1553)(567.3751, 2018.9349)" C28 H56 N2 O5 S2 FindByFormula + 564.3635 18.612999 C28 H56 N2 O5 S2 + 19.418251 " [ C28 H56 N2 O5 S2, mfg=94.18, tgt=, overall=94.18 ]" "(565.37085, 2377.76)(566.37354, 785.9026)(567.3679, 340.72)" C28 H56 N2 O5 S2 + 19.418251 FindByFormula + 564.3633 19.418251 C28 H60 N8 O4 S3 " [ C28 H60 N8 O4 S3, mfg=88.35, tgt=, overall=88.35 ]" "(669.39795, 3469.1199)(670.3983, 1380.97)(671.3978, 837.22003)" C28 H60 N8 O4 S3 FindByFormula + 668.3897 18.3715 C28 H61 N11 O11 " [ C28 H61 N11 O11, mfg=90.56, tgt=, overall=90.56 ]" "(728.46204, 266837.78)(729.4643, 71288.74)(730.467, 14483.814)(731.4686, 2370.0784)" C28 H61 N11 O11 FindByFormula + 727.4558 16.921894 C28 H62 N22 O2 " [ C28 H62 N22 O2, mfg=80.81, tgt=, overall=80.81 ]" "(739.5512, 13727.409)(740.5528, 3588.2375)(741.54974, 793.55)" C28 H62 N22 O2 FindByFormula + 738.5441 22.614454 C28 H62 N8 O S2 " [ C28 H62 N8 O S2, mfg=79.69, tgt=, overall=39.84 ]" "(1181.8883, 505.96)(591.45544, 5384.1133)(592.4612, 1932.1299)(593.45447, 1391.0349)(613.43695, 1925.0767)(614.4435, 864.0334)" C28 H62 N8 O S2 FindByFormula + 590.4497 24.011 C28 H8 N6 O10 " [ C28 H8 N6 O10, mfg=71.64, tgt=, overall=71.64 ]" "(589.0368, 1938.1301)(590.03894, 722.3575)" C28 H8 N6 O10 FindByFormula + 588.0315 1.9872501 C29 H17 N3 O8 S " [ C29 H17 N3 O8 S, mfg=94.26, tgt=, overall=94.26 ]" "(568.0812, 6432.246)(569.08484, 1875.2849)(570.0841, 842.40875)" C29 H17 N3 O8 S FindByFormula + 567.0712 8.658125 C29 H18 N2 O8 S " [ C29 H18 N2 O8 S, mfg=94.49, tgt=, overall=94.49 ]" "(555.0849, 1586.9661)(556.08923, 552.524)(557.0855, 228.22)" C29 H18 N2 O8 S FindByFormula + 554.0769 12.427801 C29 H18 N2 O8 S + 11.83825 " [ C29 H18 N2 O8 S, mfg=89.56, tgt=, overall=89.56 ]" "(555.08466, 2534.0032)(556.0886, 853.8692)(557.0941, 281.8825)" C29 H18 N2 O8 S + 11.83825 FindByFormula + 554.0765 11.83825 C29 H18 N2 O8 S + 11.84825 " [ C29 H18 N2 O8 S, mfg=93.47, tgt=, overall=93.47 ]" "(555.085, 2987.98)(556.08795, 986.69745)(557.0913, 320.86)" C29 H18 N2 O8 S + 11.84825 FindByFormula + 554.0794 11.84825 C29 H20 N2 O3 " [ C29 H20 N2 O3, mfg=71.19, tgt=, overall=71.19 ]" "(445.15576, 656.37665)(446.15637, 243.63)" C29 H20 N2 O3 FindByFormula + 444.1471 17.963333 C29 H22 N10 + 19.019264 " [ C29 H22 N10, mfg=98.64, tgt=, overall=49.32 ]" "(511.20963, 83978.25)(512.2118, 29045.824)(513.21625, 5136.576)" C29 H22 N10 + 19.019264 FindByFormula + 510.201 19.019264 C29 H24 Cl N11 O3 " [ C29 H24 Cl N11 O3, mfg=75.32, tgt=, overall=75.32 ]" "(610.1826, 1904.041)(611.18445, 1008.651)(612.18134, 851.603)" C29 H24 Cl N11 O3 FindByFormula + 609.1752 26.065899 C29 H24 N16 O2 " [ C29 H24 N16 O2, mfg=97.45, tgt=, overall=97.45 ]" "(1257.4591, 427.212)(1258.47, 384.216)(1259.4502, 334.135)(1295.4181, 282.56)(1279.4364, 469.77664)(1280.4567, 377.805)(1281.4578, 278.04)(629.2339, 4063.0427)(630.2367, 1501.7701)(631.2349, 309.70834)(667.18677, 371.5025)(668.1826, 255.83)(651.2162, 2270.9167)(652.21515, 919.616)(653.21295, 277.31)" C29 H24 N16 O2 FindByFormula + 628.2272 24.183573 C29 H24 N16 O2 + 24.220001 " [ C29 H24 N16 O2, mfg=95.04, tgt=, overall=95.04 ]" "(1257.456, 1198.6167)(1258.4626, 1063.2999)(1259.459, 594.6767)(1295.406, 234.25)(1279.4385, 1124.65)(1280.4353, 711.31)(1281.4438, 468.16)(629.23334, 5649.2266)(630.2362, 2147.295)(631.2342, 505.06332)(667.189, 850.42)(668.1818, 486.65)(651.2149, 2838.3381)(652.21576, 1690.1832)(653.2208, 544.13)" C29 H24 N16 O2 + 24.220001 FindByFormula + 628.2255 24.220001 C29 H25 N21 O " [ C29 H25 N21 O, mfg=75.56, tgt=, overall=75.56 ]" "(682.2482, 875.02295)(683.25146, 312.64716)" C29 H25 N21 O FindByFormula - 683.2568 15.032857 C29 H26 N16 O5 " [ C29 H26 N16 O5, mfg=64.65, tgt=, overall=64.65 ]" "(679.23474, 1176.3634)(680.2343, 543.63995)" C29 H26 N16 O5 FindByFormula + 678.2288 16.742998 C29 H26 N16 O9 " [ C29 H26 N16 O9, mfg=72.99, tgt=, overall=72.99 ]" "(741.1998, 3415.32)(742.2033, 1090.54)" C29 H26 N16 O9 FindByFormula - 742.2067 1.2414999 C29 H26 N6 O2 " [ C29 H26 N6 O2, mfg=82.87, tgt=, overall=82.87 ]" "(246.11496, 3081.2349)(246.6147, 869.82)(247.11375, 102.18)(491.224, 8133.91)(492.23175, 2591.73)(493.231, 1216.395)(513.21155, 1883.895)" C29 H26 N6 O2 FindByFormula + 490.2195 8.832001 C29 H27 N15 O " [ C29 H27 N15 O, mfg=68.90, tgt=, overall=68.90 ]" "(301.63452, 1296.835)(302.13416, 557.83)" C29 H27 N15 O FindByFormula + 601.2535 14.778 C29 H27 N21 O " [ C29 H27 N21 O, mfg=73.92, tgt=, overall=73.92 ]" "(684.26355, 1819.9642)(685.264, 595.09717)" C29 H27 N21 O FindByFormula - 685.2669 16.762856 C29 H28 N12 " [ C29 H28 N12, mfg=75.86, tgt=, overall=75.86 ]" "(543.2484, 2973.21)(544.2532, 936.775)" C29 H28 N12 FindByFormula - 544.2548 11.374001 C29 H29 N O S2 " [ C29 H29 N O S2, mfg=84.42, tgt=, overall=84.42 ]" "(472.17822, 2625.24)(473.17914, 920.96497)(474.1803, 465.14)(494.1615, 1677.7)" C29 H29 N O S2 FindByFormula + 471.1721 10.9255 C29 H29 N17 " [ C29 H29 N17, mfg=68.51, tgt=, overall=68.51 ]" "(616.2856, 1957.9268)(617.28864, 928.37006)" C29 H29 N17 FindByFormula + 615.2779 14.75 C29 H30 O4 " [ C29 H30 O4, mfg=78.85, tgt=, overall=39.42 ]" "(443.2217, 3941.5232)(444.2251, 1048.3951)" C29 H30 O4 FindByFormula + 442.213 17.586668 C29 H30 O5 " [ C29 H30 O5, mfg=68.15, tgt=, overall=68.15 ]" "(457.20145, 2401.405)(458.20312, 931.235)" C29 H30 O5 FindByFormula - 458.2093 23.907501 C29 H32 N14 " [ C29 H32 N14, mfg=73.83, tgt=, overall=73.83 ]" "(575.2877, 993.49)(576.28766, 329.18)" C29 H32 N14 FindByFormula - 576.2948 7.7395 C29 H32 N8 O3 S " [ C29 H32 N8 O3 S, mfg=88.46, tgt=, overall=88.46 ]" "(573.23975, 2941.481)(574.2412, 1049.6019)(575.2331, 297.47)" C29 H32 N8 O3 S FindByFormula + 572.2329 13.7241 C29 H34 N10 O3 S4 " [ C29 H34 N10 O3 S4, mfg=75.11, tgt=, overall=75.11 ]" "(699.1753, 1677.645)(700.1764, 710.85)(701.1909, 528.52)" C29 H34 N10 O3 S4 FindByFormula + 698.1705 1.312 C29 H34 N2 O14 " [ C29 H34 N2 O14, mfg=94.14, tgt=, overall=94.14 ]" "(1308.7712, 410.81403)(1308.3466, 248.84)(1309.3579, 228.78)(1291.3727, 149.13)(635.20844, 4545.1436)(636.21094, 1514.6688)(637.20996, 463.29126)" C29 H34 N2 O14 FindByFormula + 634.2006 13.576125 C29 H34 N4 O6 " [ C29 H34 N4 O6, mfg=76.80, tgt=, overall=76.80 ]" "(533.2405, 2054.3875)(534.2443, 570.49)" C29 H34 N4 O6 FindByFormula - 534.2506 7.1879997 C29 H34 N6 S " [ C29 H34 N6 S, mfg=92.42, tgt=, overall=92.42 ]" "(499.26337, 7640.245)(500.26843, 2447.3)(501.268, 613.345)(537.216, 485.06)(521.245, 2966.205)(522.24884, 944.575)(523.2484, 350.45)" C29 H34 N6 S FindByFormula + 498.2555 11.4185 C29 H35 N7 O6 S3 " [ C29 H35 N7 O6 S3, mfg=75.25, tgt=, overall=75.25 ]" "(674.18854, 2863.5818)(675.18506, 1107.8934)(676.1968, 665.3033)" C29 H35 N7 O6 S3 FindByFormula + 673.1767 15.197833 C29 H37 Cl N12 O8 S " [ C29 H37 Cl N12 O8 S, mfg=63.71, tgt=, overall=63.71 ]" "(749.23785, 1912.8065)(750.2395, 1147.5616)(751.2236, 1133.6482)(772.21686, 890.93005)(772.2245, 1166.1)(773.2288, 533.83)" C29 H37 Cl N12 O8 S FindByFormula + 748.2317 1.9234546 C29 H37 N O2 S " [ C29 H37 N O2 S, mfg=83.50, tgt=, overall=83.50 ]" "(464.2623, 1490.4833)(465.26334, 514.6967)(466.2679, 248.02)" C29 H37 N O2 S FindByFormula + 463.2516 3.7256668 C29 H37 N11 O2 S " [ C29 H37 N11 O2 S, mfg=96.76, tgt=, overall=96.76 ]" "(604.2923, 7056.2886)(605.29486, 2317.9924)(606.2953, 795.1144)(626.2751, 4134.05)(627.2774, 1308.3018)(628.28973, 901.245)(629.29, 213.86333)" C29 H37 N11 O2 S FindByFormula + 603.2851 14.04775 C29 H37 N15 O7 " [ C29 H37 N15 O7, mfg=73.63, tgt=, overall=73.63 ]" "(706.29266, 1393.1641)(707.29553, 551.86)" C29 H37 N15 O7 FindByFormula - 707.2991 6.9589996 C29 H37 N7 O8 " [ C29 H37 N7 O8, mfg=74.89, tgt=, overall=74.89 ]" "(610.2629, 2329.3848)(611.26715, 678.0375)" C29 H37 N7 O8 FindByFormula - 611.2673 16.722252 C29 H38 N12 O3 " [ C29 H38 N12 O3, mfg=67.42, tgt=, overall=67.42 ]" "(603.32935, 814.65)(604.323, 292.875)" C29 H38 N12 O3 FindByFormula + 602.3206 7.571 C29 H38 N16 O3 " [ C29 H38 N16 O3, mfg=76.59, tgt=, overall=76.59 ]" "(657.32336, 2622.96)(658.3258, 920.46497)" C29 H38 N16 O3 FindByFormula - 658.3256 2.9245 C29 H38 N18 O " [ C29 H38 N18 O, mfg=68.20, tgt=, overall=68.20 ]" "(655.3537, 3835.3398)(656.3625, 1401.345)" C29 H38 N18 O FindByFormula + 654.3485 8.0965 C29 H39 Cl N14 S2 " [ C29 H39 Cl N14 S2, mfg=88.28, tgt=, overall=88.28 ]" "(683.26843, 3417.2239)(684.26996, 1361.0425)(685.26556, 2018.0088)(686.26666, 736.2001)" C29 H39 Cl N14 S2 FindByFormula + 682.2613 25.704374 C29 H39 N13 " [ C29 H39 N13, mfg=97.03, tgt=, overall=97.03 ]" "(570.35254, 11722.778)(571.3561, 3966.1387)(572.3547, 486.0875)" C29 H39 N13 FindByFormula + 569.3431 16.0355 C29 H39 N13 O4 " [ C29 H39 N13 O4, mfg=71.16, tgt=, overall=71.16 ]" "(1267.6494, 808.365)(634.33203, 1140.7151)(635.3341, 495.945)" C29 H39 N13 O4 FindByFormula + 633.3261 7.59 C29 H39 N7 O2 " [ C29 H39 N7 O2, mfg=69.61, tgt=, overall=69.61 ]" "(518.32214, 992.8721)(519.32446, 485.94)(540.3078, 1670.016)(541.30853, 639.174)" C29 H39 N7 O2 FindByFormula + 517.3177 13.132599 C29 H39 N9 O3 " [ C29 H39 N9 O3, mfg=78.58, tgt=, overall=78.58 ]" "(560.3104, 4647.325)(561.31274, 1481.585)" C29 H39 N9 O3 FindByFormula - 561.3164 8.4305 C29 H41 N O6 " [ C29 H41 N O6, mfg=94.83, tgt=, overall=94.83 ]" "(498.28647, 13180.963)(499.28983, 3975.9807)(500.2906, 237.25856)" C29 H41 N O6 FindByFormula - 499.2935 11.087214 C29 H41 N O6 - 11.352446 " [ C29 H41 N O6, mfg=97.06, tgt=, overall=97.06 ]" "(498.28656, 5434.0684)(499.2899, 1714.5011)(500.28824, 354.6)(501.2786, 47.76)" C29 H41 N O6 - 11.352446 FindByFormula - 499.2904 11.352446 C29 H41 N O6 - 9.997 " [ C29 H41 N O6, mfg=93.21, tgt=, overall=93.21 ]" "(498.2859, 2777.225)(499.28912, 849.705)(500.2804, 44.16)" C29 H41 N O6 - 9.997 FindByFormula - 499.2931 9.997 C29 H41 N13 O " [ C29 H41 N13 O, mfg=73.20, tgt=, overall=73.20 ]" "(586.34985, 1467.0375)(587.3515, 585.27246)" C29 H41 N13 O FindByFormula - 587.3548 8.23975 C29 H41 N15 O " [ C29 H41 N15 O, mfg=73.36, tgt=, overall=73.36 ]" "(614.3557, 1498.72)(615.35504, 506.12)" C29 H41 N15 O FindByFormula - 615.3602 8.2145 C29 H41 N15 O - 7.596 " [ C29 H41 N15 O, mfg=71.58, tgt=, overall=71.58 ]" "(614.356, 1730.18)(615.35504, 663.68494)" C29 H41 N15 O - 7.596 FindByFormula - 615.3614 7.596 C29 H41 N15 O - 8.007999 " [ C29 H41 N15 O, mfg=76.80, tgt=, overall=76.80 ]" "(614.35394, 1627.53)(615.35596, 604.855)" C29 H41 N15 O - 8.007999 FindByFormula - 615.3677 8.007999 C29 H41 N15 O2 " [ C29 H41 N15 O2, mfg=70.23, tgt=, overall=70.23 ]" "(630.35034, 1357.2225)(631.3482, 450.1425)" C29 H41 N15 O2 FindByFormula - 631.3585 7.81125 C29 H41 N17 O2 " [ C29 H41 N17 O2, mfg=74.56, tgt=, overall=74.56 ]" "(658.3553, 2005.79)(659.3574, 823.145)" C29 H41 N17 O2 FindByFormula - 659.3608 12.417 C29 H41 N17 O3 " [ C29 H41 N17 O3, mfg=95.30, tgt=, overall=95.30 ]" "(676.3644, 6730.186)(677.36743, 2740.7083)(678.3722, 704.56995)" C29 H41 N17 O3 FindByFormula + 675.3618 14.6082 C29 H42 Cl N11 O4 S2 " [ C29 H42 Cl N11 O4 S2, mfg=93.63, tgt=, overall=93.63 ]" "(708.26184, 3703.5452)(709.2655, 1446.5138)(710.26196, 1983.9529)(711.2626, 477.67444)(712.2714, 200.62)" C29 H42 Cl N11 O4 S2 FindByFormula + 707.2563 26.084108 C29 H42 Cl N11 O4 S3 " [ C29 H42 Cl N11 O4 S3, mfg=74.99, tgt=, overall=74.99 ]" "(740.2343, 3359.1067)(741.2366, 1497.4592)(742.234, 2009.0946)(743.22864, 1081.4125)(744.2276, 428.04248)" C29 H42 Cl N11 O4 S3 FindByFormula + 739.2241 25.597923 C29 H42 N12 O6 " [ C29 H42 N12 O6, mfg=96.19, tgt=, overall=96.19 ]" "(653.32684, 3945.2568)(654.3298, 1588.1866)(655.3324, 403.2233)" C29 H42 N12 O6 FindByFormula - 654.3317 20.439333 C29 H42 N20 " [ C29 H42 N20, mfg=70.72, tgt=, overall=70.72 ]" "(671.39667, 1846.1675)(672.40015, 842.9325)" C29 H42 N20 FindByFormula + 670.3841 13.038 C29 H42 N8 O4 " [ C29 H42 N8 O4, mfg=75.51, tgt=, overall=75.51 ]" "(565.32587, 1294.655)(566.3303, 387.645)" C29 H42 N8 O4 FindByFormula - 566.3341 9.255 C29 H43 N5 O7 " [ C29 H43 N5 O7, mfg=59.05, tgt=, overall=59.05 ]" "(572.3108, 6292.145)(573.30774, 2783.295)" C29 H43 N5 O7 FindByFormula - 573.3161 7.699 C29 H43 N7 O2 " [ C29 H43 N7 O2, mfg=95.59, tgt=, overall=95.59 ]" "(1043.7003, 6478.526)(1044.6986, 3867.3674)(1045.6954, 588.48)(1046.7166, 267.63)(1065.6912, 1357.17)(1066.6956, 595.97)(1067.6909, 338.04)(522.355, 65346.234)(523.35724, 19747.777)(524.36017, 6059.7524)(525.3582, 1053.24)(560.31104, 17080.639)(561.31525, 5195.6367)(562.30585, 827.49664)(563.3073, 361.45)(544.3371, 262093.25)(545.3405, 75577.13)(546.3428, 14324.956)(547.34644, 969.19)" C29 H43 N7 O2 FindByFormula + 521.3485 15.3985 C29 H43 N9 O3 " [ C29 H43 N9 O3, mfg=98.70, tgt=, overall=98.70 ]" "(564.3413, 9459.486)(565.34454, 3538.1985)(566.34625, 738.889)(567.34607, 275.84)" C29 H43 N9 O3 FindByFormula - 565.3465 20.255035 C29 H44 N10 O5 " [ C29 H44 N10 O5, mfg=73.65, tgt=, overall=73.65 ]" "(611.34143, 1645.4099)(612.3454, 637.04004)" C29 H44 N10 O5 FindByFormula - 612.3481 9.9045 C29 H44 N2 O11 " [ C29 H44 N2 O11, mfg=88.81, tgt=, overall=88.81 ]" "(595.28564, 3343.5076)(596.2886, 1049.9875)(597.2966, 349.90332)(598.2955, 156.76)" C29 H44 N2 O11 FindByFormula - 596.2898 14.9001255 C29 H45 N O7 S2 " [ C29 H45 N O7 S2, mfg=91.47, tgt=, overall=91.47 ]" "(584.27234, 9727.49)(585.273, 3136.0698)(586.2709, 1379.715)(606.25336, 5540.45)(607.2545, 1755.8)(608.2613, 249.85)" C29 H45 N O7 S2 FindByFormula + 583.2665 9.062 C29 H45 N S " [ C29 H45 N S, mfg=88.38, tgt=, overall=88.38 ]" "(440.33652, 7595.7363)(441.33755, 2674.8267)(442.33908, 650.4616)(462.31567, 2033.9967)" C29 H45 N S FindByFormula + 439.3303 12.5015 C29 H45 N S + 12.530002 " [ C29 H45 N S, mfg=80.26, tgt=, overall=80.26 ]" "(440.337, 7426.4434)(441.33615, 2780.3567)(442.33447, 770.72)(478.2847, 171.29)(462.3157, 1712.4401)(463.31757, 499.9)" C29 H45 N S + 12.530002 FindByFormula + 439.3285 12.530002 C29 H45 N S + 12.553375 " [ C29 H45 N S, mfg=86.22, tgt=, overall=86.22 ]" "(440.33676, 7162.7085)(441.33545, 2503.1448)(442.33798, 585.97375)(478.2822, 210.54)(462.3166, 1538.7261)(463.3198, 635.96)" C29 H45 N S + 12.553375 FindByFormula + 439.3287 12.553375 C29 H45 N3 O10 S " [ C29 H45 N3 O10 S, mfg=95.03, tgt=, overall=95.03 ]" "(314.6442, 939.53076)(315.1426, 345.60718)(315.6419, 184.0423)(628.28973, 11343.573)(629.2939, 3533.3203)(630.29285, 952.92993)(631.2917, 474.68668)" C29 H45 N3 O10 S FindByFormula + 627.2801 15.390562 C29 H45 N9 O2 " [ C29 H45 N9 O2, mfg=96.53, tgt=, overall=96.53 ]" "(550.3628, 8921.29)(551.3651, 3018.8699)(552.3721, 640.2)" C29 H45 N9 O2 FindByFormula - 551.3681 8.9225 C29 H46 O10 " [ C29 H46 O10, mfg=89.92, tgt=, overall=89.92 ]" "(555.31305, 17684.893)(556.3117, 6002.44)(557.317, 3284.9033)(577.29834, 61491.75)(578.30096, 19570.994)(579.30566, 8509.415)" C29 H46 O10 FindByFormula + 554.3061 6.9073334 C29 H47 N O8 " [ C29 H47 N O8, mfg=92.84, tgt=, overall=92.84 ]" "(536.3241, 8141.09)(537.32574, 2482.6584)(538.3234, 434.38834)" C29 H47 N O8 FindByFormula - 537.3291 7.5124993 C29 H47 N13 " [ C29 H47 N13, mfg=58.42, tgt=, overall=58.42 ]" "(578.41656, 2060.81)(579.4103, 941.56)(600.3941, 1281.64)(601.3967, 950.56)" C29 H47 N13 FindByFormula + 577.4096 9.9445 C29 H47 N13 O5 " [ C29 H47 N13 O5, mfg=72.63, tgt=, overall=72.63 ]" "(329.69785, 6434.21)(330.19928, 2622.29)" C29 H47 N13 O5 FindByFormula + 657.3798 6.8075 C29 H47 N3 O14 " [ C29 H47 N3 O14, mfg=95.29, tgt=, overall=95.29 ]" "(1323.5901, 454.4)(1361.5771, 124.99)(662.3128, 25107.582)(663.3175, 8262.721)(664.32117, 2684.984)(665.32355, 571.79)(684.2805, 260.87)" C29 H47 N3 O14 FindByFormula + 661.3015 7.6146 C29 H47 N5 O9 S2 " [ C29 H47 N5 O9 S2, mfg=94.30, tgt=, overall=94.30 ]" "(674.28973, 4535.2915)(675.29224, 1624.6783)(676.28674, 711.45245)(677.2822, 51.48)(712.2523, 754.79)(696.2757, 1187.3152)(697.27625, 452.65002)" C29 H47 N5 O9 S2 FindByFormula + 673.2852 15.352749 C29 H48 N10 O10 " [ C29 H48 N10 O10, mfg=92.98, tgt=, overall=92.98 ]" "(697.3628, 11151.525)(698.36523, 4342.766)(699.371, 1474.3801)" C29 H48 N10 O10 FindByFormula + 696.3568 8.098799 C29 H48 N10 O10 + 8.111667 " [ C29 H48 N10 O10, mfg=96.35, tgt=, overall=96.35 ]" "(697.3623, 12715.391)(698.3667, 4875.4497)(699.36835, 1448.9567)(700.36536, 387.87)" C29 H48 N10 O10 + 8.111667 FindByFormula + 696.3541 8.111667 C29 H48 N16 O2 " [ C29 H48 N16 O2, mfg=76.97, tgt=, overall=76.97 ]" "(653.4219, 15584.058)(654.42523, 5504.541)" C29 H48 N16 O2 FindByFormula + 652.4129 17.924 C29 H48 N16 O2 + 18.342001 " [ C29 H48 N16 O2, mfg=76.47, tgt=, overall=76.47 ]" "(653.4222, 9639.757)(654.42523, 3627.8733)" C29 H48 N16 O2 + 18.342001 FindByFormula + 652.4136 18.342001 C29 H48 N6 O5 S2 " [ C29 H48 N6 O5 S2, mfg=84.32, tgt=, overall=84.32 ]" "(625.31934, 2498.115)(626.31934, 937.955)(627.32434, 496.84)" C29 H48 N6 O5 S2 FindByFormula + 624.3121 14.87 C29 H49 N11 O5 " [ C29 H49 N11 O5, mfg=96.80, tgt=, overall=96.80 ]" "(630.3836, 6794.8354)(631.3865, 2605.6208)(632.38855, 674.2867)" C29 H49 N11 O5 FindByFormula - 631.387 14.709998 C29 H49 N11 O5 - 14.677555 " [ C29 H49 N11 O5, mfg=97.46, tgt=, overall=97.46 ]" "(630.3841, 5765.916)(631.38715, 2225.8564)(632.3884, 570.26447)" C29 H49 N11 O5 - 14.677555 FindByFormula - 631.3881 14.677555 C29 H50 N10 O3 " [ C29 H50 N10 O3, mfg=76.45, tgt=, overall=76.45 ]" "(585.4002, 1611.092)(586.40247, 597.63104)" C29 H50 N10 O3 FindByFormula - 586.4083 7.468 C29 H50 N10 O3 - 7.4675 " [ C29 H50 N10 O3, mfg=76.37, tgt=, overall=76.37 ]" "(585.3988, 2257.7231)(586.4011, 826.478)" C29 H50 N10 O3 - 7.4675 FindByFormula - 586.404 7.4675 C29 H50 N6 O S " [ C29 H50 N6 O S, mfg=86.57, tgt=, overall=86.57 ]" "(531.38605, 1645.065)(532.3884, 571.48)(533.3808, 142.36751)" C29 H50 N6 O S FindByFormula + 530.3785 19.568499 C29 H50 N8 O7 " [ C29 H50 N8 O7, mfg=96.72, tgt=, overall=96.72 ]" "(623.3879, 17497.834)(624.3913, 6408.86)(625.38934, 1140.8134)" C29 H50 N8 O7 FindByFormula + 622.3791 19.086666 C29 H51 Cl N2 O7 S " [ C29 H51 Cl N2 O7 S, mfg=61.78, tgt=, overall=61.78 ]" "(607.3126, 3104.105)(608.31915, 1215.5425)(609.3271, 1792.7833)(645.2671, 1227.19)(646.2795, 257.16)(629.2945, 2168.8875)(630.2975, 979.885)(631.3107, 1877.04)" C29 H51 Cl N2 O7 S FindByFormula + 606.3027 9.548 C29 H51 N O7 S3 " [ C29 H51 N O7 S3, mfg=81.74, tgt=, overall=81.74 ]" "(620.2732, 702.89)(621.27924, 268.58)(622.27563, 180.225)" C29 H51 N O7 S3 FindByFormula - 621.2833 7.231 C29 H52 N10 " [ C29 H52 N10, mfg=63.39, tgt=, overall=63.39 ]" "(539.4305, 966.235)(540.4335, 513.16504)" C29 H52 N10 FindByFormula - 540.4381 22.5455 C29 H52 N10 - 22.5455 " [ C29 H52 N10, mfg=63.39, tgt=, overall=63.39 ]" "(539.4305, 966.235)(540.4335, 513.16504)" C29 H52 N10 - 22.5455 FindByFormula - 540.438 22.5455 C29 H52 O15 " [ C29 H52 O15, mfg=98.68, tgt=, overall=98.68 ]" "(641.33746, 13484.864)(642.34174, 4222.197)(643.34406, 1133.59)" C29 H52 O15 FindByFormula + 640.3319 8.519 C29 H53 N O8 S4 " [ C29 H53 N O8 S4, mfg=78.32, tgt=, overall=78.32 ]" "(672.2728, 1635.209)(673.2793, 682.701)(674.26843, 525.06665)" C29 H53 N O8 S4 FindByFormula + 671.27 14.055499 C29 H55 N O4 " [ C29 H55 N O4, mfg=96.85, tgt=, overall=96.85 ]" "(482.41986, 4388.066)(483.4229, 1533.425)(484.42676, 188.47)(504.3983, 386.33167)" C29 H55 N O4 FindByFormula + 481.4137 18.755857 C29 H55 N O4 + 18.77091 " [ C29 H55 N O4, mfg=95.23, tgt=, overall=95.23 ]" "(482.41943, 5214.23)(483.42227, 1854.0453)(484.42474, 375.2589)(504.3997, 618.2767)(505.40622, 364.125)" C29 H55 N O4 + 18.77091 FindByFormula + 481.411 18.77091 C29 H55 N O4 + 18.789 " [ C29 H55 N O4, mfg=92.92, tgt=, overall=92.92 ]" "(482.42017, 10374.073)(483.4226, 3513.04)(484.4254, 155.9)(504.3996, 1476.605)(505.4166, 321.73)" C29 H55 N O4 + 18.789 FindByFormula + 481.4138 18.789 C29 H55 N O4 + 18.792847 " [ C29 H55 N O4, mfg=95.39, tgt=, overall=95.39 ]" "(482.41962, 4907.597)(483.42255, 1735.147)(484.42447, 401.70224)(504.39844, 689.04706)(505.4008, 355.80597)" C29 H55 N O4 + 18.792847 FindByFormula + 481.4118 18.792847 C29 H55 N13 O8 S " [ C29 H55 N13 O8 S, mfg=98.26, tgt=, overall=98.26 ]" "(744.3949, 7862.612)(745.3974, 3001.6953)(746.3956, 840.2856)(747.396, 279.86832)" C29 H55 N13 O8 S FindByFormula - 745.4055 7.4417233 C29 H56 N2 O11 " [ C29 H56 N2 O11, mfg=95.77, tgt=, overall=95.77 ]" "(609.3965, 17493.486)(610.4001, 6070.0586)(611.3987, 1549.4336)(612.39886, 542.99664)" C29 H56 N2 O11 FindByFormula + 608.3887 18.475416 C29 H56 N2 O11 + 18.475416 " [ C29 H56 N2 O11, mfg=95.77, tgt=, overall=95.77 ]" "(609.3965, 17493.486)(610.4001, 6070.0586)(611.3987, 1549.4336)(612.39886, 542.99664)" C29 H56 N2 O11 + 18.475416 FindByFormula + 608.3893 18.475416 C29 H56 N2 O11 + 18.475416 :1 " [ C29 H56 N2 O11, mfg=95.77, tgt=, overall=95.77 ]" "(609.3965, 17493.486)(610.4001, 6070.0586)(611.3987, 1549.4336)(612.39886, 542.99664)" C29 H56 N2 O11 + 18.475416 :1 FindByFormula + 608.3891 18.475416 C29 H56 N2 O12 " [ C29 H56 N2 O12, mfg=98.38, tgt=, overall=98.38 ]" "(625.3911, 15509.221)(626.39435, 5616.265)(627.3976, 1432.2473)(628.39355, 303.67126)" C29 H56 N2 O12 FindByFormula + 624.3836 15.876741 C29 H56 N2 O12 + 15.63675 " [ C29 H56 N2 O12, mfg=96.45, tgt=, overall=96.45 ]" "(625.3901, 12182.6455)(626.3937, 4553.596)(627.3976, 1278.872)(628.3944, 248.83499)" C29 H56 N2 O12 + 15.63675 FindByFormula + 624.3828 15.63675 C29 H56 N2 O12 + 15.646001 " [ C29 H56 N2 O12, mfg=94.60, tgt=, overall=94.60 ]" "(625.3908, 11741.748)(626.3944, 4324.82)(627.3988, 1417.775)(628.40375, 236.245)" C29 H56 N2 O12 + 15.646001 FindByFormula + 624.3844 15.646001 C29 H56 N2 O8 " [ C29 H56 N2 O8, mfg=96.51, tgt=, overall=96.51 ]" "(1143.812, 123.96)(1144.7601, 153.99)(561.41113, 20079.688)(562.4148, 7020.5)(563.4136, 997.1333)(599.36786, 768.45)(600.3706, 335.55334)(583.3926, 11900.594)(584.3966, 4175.007)(585.4051, 782.57666)" C29 H56 N2 O8 FindByFormula + 560.4048 22.064165 C29 H57 N O4 " [ C29 H57 N O4, mfg=90.74, tgt=, overall=90.74 ]" "(484.43677, 7245.21)(485.4361, 2437.12)(486.44275, 621.915)(506.4167, 1212.28)" C29 H57 N O4 FindByFormula + 483.4277 20.427 C29 H58 Cl N3 " [ C29 H58 Cl N3, mfg=63.83, tgt=, overall=63.83 ]" "(484.4362, 3855.588)(485.43707, 1312.4579)(486.4428, 1195.23)" C29 H58 Cl N3 FindByFormula + 483.431 20.3764 C29 H60 N2 O13 " [ C29 H60 N2 O13, mfg=96.79, tgt=, overall=96.79 ]" "(645.41724, 2939.4333)(646.42, 1052.67)(647.42346, 326.73373)" C29 H60 N2 O13 FindByFormula + 644.412 13.105334 C29 H61 Cl N10 O2 " [ C29 H61 Cl N10 O2, mfg=85.46, tgt=, overall=85.46 ]" "(617.4739, 9513.517)(618.47687, 3943.5)(619.47516, 2871.4668)(620.4757, 1013.275)" C29 H61 Cl N10 O2 FindByFormula + 616.4649 24.039001 C29 H62 N4 S3 " [ C29 H62 N4 S3, mfg=86.68, tgt=, overall=86.68 ]" "(563.4227, 6338.35)(564.4244, 2186.73)(565.4237, 1320.3)(585.4081, 1496.855)(586.407, 492.37)(587.4133, 327.895)" C29 H62 N4 S3 FindByFormula + 562.4118 23.2555 C29 H64 N12 S2 " [ C29 H64 N12 S2, mfg=92.53, tgt=, overall=92.53 ]" "(645.48987, 8526.195)(646.4921, 3284.6335)(647.48334, 1259.6051)(648.4768, 269.97403)" C29 H64 N12 S2 FindByFormula + 644.4824 26.011099 C3 H12 N4 " [ C3 H12 N4, mfg=45.45, tgt=, overall=45.45 ]" "(105.110954, 7125.0)(106.11266, 851.4496)" C3 H12 N4 FindByFormula + 104.1034 0.90913635 C3 H12 N4 + 14.7754 " [ C3 H12 N4, mfg=46.55, tgt=, overall=46.55 ]" "(105.11106, 8025.298)(106.11316, 966.73206)" C3 H12 N4 + 14.7754 FindByFormula + 104.1042 14.7754 C3 H12 N4 + 17.245888 " [ C3 H12 N4, mfg=42.18, tgt=, overall=42.18 ]" "(105.110916, 4588.2812)(106.11217, 583.2356)" C3 H12 N4 + 17.245888 FindByFormula + 104.1045 17.245888 C3 H12 N4 O4 " [ C3 H12 N4 O4, mfg=69.57, tgt=, overall=69.57 ]" "(375.14053, 616.5875)(359.16412, 1365.7554)(169.09471, 3542.7488)(170.09653, 368.213)(207.05127, 8260.655)(208.0525, 712.0325)(209.04909, 694.2124)(191.07689, 21226.697)(192.07928, 1620.4695)" C3 H12 N4 O4 FindByFormula + 168.0867 0.75996774 C3 H2 N2 O6 " [ C3 H2 N2 O6, mfg=81.37, tgt=, overall=81.37 ]" "(324.98746, 2034.73)(346.9676, 961.33)(162.99811, 14561.635)(164.00424, 709.87)(184.97905, 4468.5254)" C3 H2 N2 O6 FindByFormula + 161.9916 1.33 C3 H3 Cl N2 O S3 " [ C3 H3 Cl N2 O S3, mfg=47.19, tgt=, overall=47.19 ]" "(428.8269, 190.105)(450.8156, 447.43)(214.91736, 36771.37)(215.92078, 1297.475)(216.91399, 585.72003)" C3 H3 Cl N2 O S3 FindByFormula + 213.9095 27.711832 C3 H4 N2 O5 " [ C3 H4 N2 O5, mfg=92.35, tgt=, overall=92.35 ]" "(149.01814, 8702.546)(150.02061, 386.3912)(151.0243, 201.76462)" C3 H4 N2 O5 FindByFormula + 148.0118 1.4205884 C3 H4 N4 S2 " [ C3 H4 N4 S2, mfg=64.78, tgt=, overall=64.78 ]" "(158.97879, 2193.2397)(159.98006, 402.2454)(160.97673, 293.48285)" C3 H4 N4 S2 FindByFormula - 159.9861 27.224464 C3 H4 N4 S2 - 27.318 " [ C3 H4 N4 S2, mfg=60.44, tgt=, overall=60.44 ]" "(158.97858, 2101.83)(159.98006, 404.96667)(160.9766, 246.34)" C3 H4 N4 S2 - 27.318 FindByFormula - 159.9853 27.318 C3 H4 O4 S3 " [ C3 H4 O4 S3, mfg=58.94, tgt=, overall=58.94 ]" "(200.9373, 1802.97)(201.93726, 280.22998)(202.9247, 486.115)" C3 H4 O4 S3 FindByFormula + 199.9303 27.27 C3 H4 O6 S3 " [ C3 H4 O6 S3, mfg=51.02, tgt=, overall=51.02 ]" "(232.9274, 3377.745)(233.93124, 256.02002)(234.9283, 385.905)" C3 H4 O6 S3 FindByFormula + 231.9208 26.994 C3 H5 N5 O4 " [ C3 H5 N5 O4, mfg=50.73, tgt=, overall=50.73 ]" "(176.0404, 3474.125)(177.03845, 507.755)" C3 H5 N5 O4 FindByFormula + 175.0325 0.9055 C3 H6 Cl2 O2 " [ C3 H6 Cl2 O2, mfg=72.32, tgt=, overall=72.32 ]" "(144.98235, 4013.2168)(145.9818, 288.09)(146.98027, 2000.2267)" C3 H6 Cl2 O2 FindByFormula + 143.9748 24.225332 C3 H6 Cl2 O2 + 25.570665 " [ C3 H6 Cl2 O2, mfg=68.78, tgt=, overall=68.78 ]" "(144.98244, 2658.8767)(145.9814, 161.24)(146.98, 1275.1866)(147.9819, 135.01)" C3 H6 Cl2 O2 + 25.570665 FindByFormula + 143.9754 25.570665 C3 H6 N2 S2 " [ C3 H6 N2 S2, mfg=58.07, tgt=, overall=58.07 ]" "(135.00314, 8730.73)(136.00594, 306.90384)" C3 H6 N2 S2 FindByFormula + 133.9961 1.0248094 C3 H6 N2 S2 + 1.9825001 " [ C3 H6 N2 S2, mfg=57.20, tgt=, overall=57.20 ]" "(135.0032, 2564.49)(136.0068, 155.185)" C3 H6 N2 S2 + 1.9825001 FindByFormula + 133.9963 1.9825001 C3 H9 N O2 S " [ C3 H9 N O2 S, mfg=93.00, tgt=, overall=93.00 ]" "(124.04289, 27322.906)(125.04487, 2076.3113)(126.04297, 724.5867)(146.02756, 1806.112)" C3 H9 N O2 S FindByFormula + 123.0391 1.0475713 C30 H15 N15 O8 " [ C30 H15 N15 O8, mfg=66.43, tgt=, overall=66.43 ]" "(714.12946, 2021.9386)(715.1314, 956.99426)" C30 H15 N15 O8 FindByFormula + 713.1246 1.9811429 C30 H18 N2 O4 " [ C30 H18 N2 O4, mfg=93.17, tgt=, overall=93.17 ]" "(471.13293, 14546.34)(472.1355, 4155.9)(473.13895, 917.92)(493.11435, 3874.4001)(494.1175, 982.21497)" C30 H18 N2 O4 FindByFormula + 470.1278 11.8689995 C30 H21 N17 O2 " [ C30 H21 N17 O2, mfg=63.28, tgt=, overall=63.28 ]" "(652.21326, 451.40997)(653.2126, 209.4975)" C30 H21 N17 O2 FindByFormula + 651.2048 17.1455 C30 H22 N20 O " [ C30 H22 N20 O, mfg=63.17, tgt=, overall=63.17 ]" "(679.2379, 1776.29)(680.23267, 795.94995)" C30 H22 N20 O FindByFormula + 678.2288 17.173 C30 H27 N7 O6 S2 " [ C30 H27 N7 O6 S2, mfg=95.36, tgt=, overall=95.36 ]" "(1289.282, 1264.1643)(1290.2834, 867.3554)(1291.2826, 590.115)(1292.2802, 295.3978)(644.1395, 3849.95)(645.1423, 1292.6332)(646.1386, 600.87256)" C30 H27 N7 O6 S2 FindByFormula - 645.146 8.667126 C30 H28 N4 O5 " [ C30 H28 N4 O5, mfg=95.65, tgt=, overall=95.65 ]" "(525.2133, 2825.4734)(526.21716, 852.1433)(527.2207, 221.54333)" C30 H28 N4 O5 FindByFormula + 524.2081 15.535333 C30 H3 N3 O16 " [ C30 H3 N3 O16, mfg=68.39, tgt=, overall=68.39 ]" "(661.9594, 2391.5)(662.96387, 894.2)" C30 H3 N3 O16 FindByFormula + 660.9517 24.973999 C30 H3 N3 O21 " [ C30 H3 N3 O21, mfg=74.14, tgt=, overall=74.14 ]" "(1482.8696, 1072.14)(1483.8523, 278.01)(1484.8595, 720.81)(741.9331, 4156.1)(742.9262, 1230.04)(743.945, 566.37)(763.9154, 1579.405)(764.90985, 516.64)" C30 H3 N3 O21 FindByFormula + 740.9215 7.1735 C30 H30 N8 " [ C30 H30 N8, mfg=89.68, tgt=, overall=89.68 ]" "(503.26816, 5994.363)(504.271, 2116.6975)(505.2638, 397.77002)" C30 H30 N8 FindByFormula + 502.2609 26.99525 C30 H31 N11 O3 S3 " [ C30 H31 N11 O3 S3, mfg=92.86, tgt=, overall=92.86 ]" "(690.18396, 2145.0776)(691.1869, 794.985)(692.1842, 420.87)(712.1619, 183.74)" C30 H31 N11 O3 S3 FindByFormula + 689.1791 14.4895 C30 H32 N12 O5 " [ C30 H32 N12 O5, mfg=64.63, tgt=, overall=32.32 ]" "(641.2679, 1254.965)(642.2747, 548.8275)" C30 H32 N12 O5 FindByFormula + 640.2591 15.374749 C30 H32 N6 O2 " [ C30 H32 N6 O2, mfg=71.10, tgt=, overall=71.10 ]" "(507.25027, 1426.4899)(508.2576, 505.21335)" C30 H32 N6 O2 FindByFormula - 508.2564 8.677334 C30 H34 N16 O3 S " [ C30 H34 N16 O3 S, mfg=95.85, tgt=, overall=95.85 ]" "(699.2802, 8092.683)(700.2815, 3072.882)(701.2835, 888.469)" C30 H34 N16 O3 S FindByFormula + 698.2717 22.321999 C30 H34 N16 O3 S + 22.286333 " [ C30 H34 N16 O3 S, mfg=96.93, tgt=, overall=96.93 ]" "(699.27905, 5632.97)(700.28107, 2102.93)(701.28265, 645.19666)" C30 H34 N16 O3 S + 22.286333 FindByFormula + 698.2699 22.286333 C30 H35 N3 S " [ C30 H35 N3 S, mfg=91.89, tgt=, overall=91.89 ]" "(235.6328, 1313.74)(236.1333, 742.89)(470.2611, 11975.03)(471.2656, 3773.89)(472.266, 1157.5)(492.2459, 1474.2)" C30 H35 N3 S FindByFormula + 469.2545 9.7005005 C30 H36 N14 " [ C30 H36 N14, mfg=74.36, tgt=, overall=74.36 ]" "(1223.638, 295.76)(297.1725, 1325.3)(297.6722, 475.0)(593.61786, 261444.0)(594.6213, 96190.23)(595.67706, 63871.23)(597.0151, 39004.434)(597.3515, 22629.11)(598.354, 4370.67)(615.3135, 9951.365)(616.3165, 4201.425)" C30 H36 N14 FindByFormula + 592.3273 9.067858 C30 H37 N5 O9 " [ C30 H37 N5 O9, mfg=75.98, tgt=, overall=75.98 ]" "(610.2519, 3096.585)(611.2555, 1039.44)" C30 H37 N5 O9 FindByFormula - 611.2598 6.7174997 C30 H38 N14 O " [ C30 H38 N14 O, mfg=96.81, tgt=, overall=96.81 ]" "(611.34326, 7856.532)(612.34576, 2896.685)(613.3448, 649.9875)(633.32135, 2866.14)(634.32135, 1134.7133)(635.3237, 539.63)" C30 H38 N14 O FindByFormula + 610.3373 10.319 C30 H38 N14 O + 8.841499 " [ C30 H38 N14 O, mfg=96.48, tgt=, overall=96.48 ]" "(611.3435, 52176.094)(612.34674, 19899.64)(613.3451, 4037.84)(614.3439, 929.48)(633.3258, 3254.5552)(634.32465, 1444.2151)" C30 H38 N14 O + 8.841499 FindByFormula + 610.3357 8.841499 C30 H38 N2 O3 " [ C30 H38 N2 O3, mfg=92.03, tgt=, overall=92.03 ]" "(473.28027, 874.604)(474.2831, 255.80798)(475.2868, 82.23)" C30 H38 N2 O3 FindByFormula - 474.2908 24.173 C30 H38 N2 O3 - 24.732666 " [ C30 H38 N2 O3, mfg=79.48, tgt=, overall=79.48 ]" "(473.28055, 2675.5232)(474.28415, 860.06)" C30 H38 N2 O3 - 24.732666 FindByFormula - 474.288 24.732666 C30 H38 N2 O3 - 24.794876 " [ C30 H38 N2 O3, mfg=99.04, tgt=, overall=99.04 ]" "(473.28104, 3337.291)(474.28442, 1080.9688)(475.28668, 243.58287)" C30 H38 N2 O3 - 24.794876 FindByFormula - 474.2887 24.794876 C30 H39 N13 " [ C30 H39 N13, mfg=76.07, tgt=, overall=76.07 ]" "(580.33777, 1001.292)(581.33997, 403.968)" C30 H39 N13 FindByFormula - 581.3449 25.250202 C30 H40 N4 O13 " [ C30 H40 N4 O13, mfg=93.20, tgt=, overall=93.20 ]" "(665.2667, 3060.09)(666.2706, 984.216)(667.279, 211.775)" C30 H40 N4 O13 FindByFormula + 664.26 15.6244 C30 H40 N8 O S " [ C30 H40 N8 O S, mfg=97.65, tgt=, overall=97.65 ]" "(559.29706, 4573.2534)(560.2992, 1555.9899)(561.299, 509.75333)" C30 H40 N8 O S FindByFormula - 560.3021 8.092 C30 H41 N S2 " [ C30 H41 N S2, mfg=71.97, tgt=, overall=71.97 ]" "(480.2784, 11563.947)(481.27313, 5248.6475)(482.27744, 1253.495)" C30 H41 N S2 FindByFormula + 479.2713 17.502579 C30 H42 N18 O2 " [ C30 H42 N18 O2, mfg=96.28, tgt=, overall=96.28 ]" "(344.1959, 3022.5)(344.70044, 1456.8401)(345.19922, 322.395)(687.381, 16868.84)(688.3817, 6520.6553)(689.3833, 1526.6)(709.3659, 2741.06)(710.3587, 1395.21)" C30 H42 N18 O2 FindByFormula + 686.3735 6.6674995 C30 H42 N8 " [ C30 H42 N8, mfg=78.44, tgt=, overall=78.44 ]" "(258.18353, 2538.985)(258.6845, 870.43005)(515.35486, 2958.865)(516.3561, 1076.75)(537.3335, 1836.94)" C30 H42 N8 FindByFormula + 514.3492 6.0074997 C30 H43 N13 " [ C30 H43 N13, mfg=92.35, tgt=, overall=92.35 ]" "(584.3696, 2739.495)(585.3727, 944.97)(586.36597, 177.555)" C30 H43 N13 FindByFormula - 585.3797 6.888 C30 H43 N15 O2 " [ C30 H43 N15 O2, mfg=93.84, tgt=, overall=93.84 ]" "(644.36395, 4863.185)(645.36914, 1772.775)(646.3727, 263.495)" C30 H43 N15 O2 FindByFormula - 645.3726 6.6645 C30 H44 N16 O " [ C30 H44 N16 O, mfg=76.58, tgt=, overall=76.58 ]" "(643.3812, 1804.385)(644.38306, 694.93)" C30 H44 N16 O FindByFormula - 644.3857 2.8075 C30 H44 N16 O2 " [ C30 H44 N16 O2, mfg=97.93, tgt=, overall=97.93 ]" "(659.3761, 3723.745)(660.37976, 1465.69)(661.3816, 351.405)" C30 H44 N16 O2 FindByFormula - 660.3865 24.2605 C30 H44 N18 O5 " [ C30 H44 N18 O5, mfg=67.83, tgt=, overall=67.83 ]" "(735.36743, 1436.21)(736.36755, 655.93506)" C30 H44 N18 O5 FindByFormula - 736.3744 7.0874996 C30 H44 N4 O S3 " [ C30 H44 N4 O S3, mfg=82.76, tgt=, overall=82.76 ]" "(573.275, 7497.69)(574.275, 2867.0352)(575.2798, 1492.2101)(611.2335, 598.83)(595.25415, 3391.615)(596.25964, 1477.165)(597.2545, 897.4)" C30 H44 N4 O S3 FindByFormula + 572.2663 10.4625 C30 H45 N O S2 " [ C30 H45 N O S2, mfg=90.30, tgt=, overall=90.30 ]" "(498.28583, 2430.45)(499.28906, 813.56)(500.2905, 393.61)" C30 H45 N O S2 FindByFormula - 499.2916 9.997 C30 H45 N O11 S " [ C30 H45 N O11 S, mfg=94.81, tgt=, overall=94.81 ]" "(626.2637, 5368.705)(627.26605, 1808.8301)(628.2693, 667.63)" C30 H45 N O11 S FindByFormula - 627.2702 8.387 C30 H45 N9 O5 S2 " [ C30 H45 N9 O5 S2, mfg=93.47, tgt=, overall=93.47 ]" "(1351.6024, 239.87)(676.3063, 5317.69)(677.3087, 2038.6185)(678.3037, 823.47)(698.2887, 416.53604)(699.2917, 135.88666)(700.3089, 25.35)" C30 H45 N9 O5 S2 FindByFormula + 675.2987 17.267643 C30 H46 N10 S2 " [ C30 H46 N10 S2, mfg=94.24, tgt=, overall=94.24 ]" "(611.3418, 4335.65)(612.34393, 1642.9401)(613.3445, 722.2)(633.3255, 3746.3035)(634.32825, 1195.245)(635.3397, 263.645)" C30 H46 N10 S2 FindByFormula + 610.3377 9.750667 C30 H46 N2 O8 S3 " [ C30 H46 N2 O8 S3, mfg=85.16, tgt=, overall=85.16 ]" "(659.24817, 3403.1218)(660.2498, 1233.2059)(661.254, 798.33)" C30 H46 N2 O8 S3 FindByFormula + 658.2394 15.3802 C30 H46 N20 O " [ C30 H46 N20 O, mfg=68.53, tgt=, overall=34.27 ]" "(703.4242, 1276.83)(704.4269, 618.518)" C30 H46 N20 O FindByFormula + 702.4131 16.2308 C30 H47 N19 S2 " [ C30 H47 N19 S2, mfg=83.88, tgt=, overall=83.88 ]" "(738.3785, 4319.1865)(739.37695, 2095.9434)(740.37787, 1040.0834)" C30 H47 N19 S2 FindByFormula + 737.3669 1.1046667 C30 H47 N3 O5 " [ C30 H47 N3 O5, mfg=72.04, tgt=, overall=72.04 ]" "(530.358, 9987.819)(531.3644, 2899.016)" C30 H47 N3 O5 FindByFormula + 529.352 18.2406 C30 H47 N7 O9 " [ C30 H47 N7 O9, mfg=72.76, tgt=, overall=72.76 ]" "(648.33673, 2604.49)(649.3383, 991.36005)" C30 H47 N7 O9 FindByFormula - 649.3486 6.755333 C30 H48 O2 S " [ C30 H48 O2 S, mfg=91.59, tgt=, overall=91.59 ]" "(473.34464, 12078.981)(474.34775, 3404.7769)(475.3422, 845.7936)(476.3372, 191.45667)" C30 H48 O2 S FindByFormula + 472.3384 18.219694 C30 H48 O2 S + 17.83325 " [ C30 H48 O2 S, mfg=88.89, tgt=, overall=88.89 ]" "(473.34387, 4438.455)(474.3477, 1421.98)(475.3399, 393.63748)" C30 H48 O2 S + 17.83325 FindByFormula + 472.3367 17.83325 C30 H48 O2 S + 18.20552 " [ C30 H48 O2 S, mfg=89.69, tgt=, overall=89.69 ]" "(473.34454, 10605.926)(474.34756, 3005.3206)(475.34103, 818.6849)" C30 H48 O2 S + 18.20552 FindByFormula + 472.3365 18.20552 C30 H49 N11 O4 " [ C30 H49 N11 O4, mfg=69.31, tgt=, overall=69.31 ]" "(626.39044, 1287.46)(627.38965, 379.645)" C30 H49 N11 O4 FindByFormula - 627.3965 6.792 C30 H49 N7 O10 " [ C30 H49 N7 O10, mfg=96.22, tgt=, overall=96.22 ]" "(666.34766, 4869.05)(667.35114, 1632.8)(668.3495, 314.74)" C30 H49 N7 O10 FindByFormula - 667.3551 6.6645 C30 H49 N9 O3 S2 " [ C30 H49 N9 O3 S2, mfg=91.01, tgt=, overall=91.01 ]" "(646.33276, 422.565)(647.33655, 157.595)(648.3305, 88.06)" C30 H49 N9 O3 S2 FindByFormula - 647.3394 7.733 C30 H50 N10 O8 S2 " [ C30 H50 N10 O8 S2, mfg=93.87, tgt=, overall=93.87 ]" "(743.3328, 2257.3467)(744.3359, 857.54)(745.3357, 398.69666)" C30 H50 N10 O8 S2 FindByFormula + 742.3285 23.140833 C30 H50 N16 O3 " [ C30 H50 N16 O3, mfg=96.87, tgt=, overall=96.87 ]" "(683.4327, 6792.895)(684.43567, 2798.599)(685.43506, 683.5507)" C30 H50 N16 O3 FindByFormula + 682.4249 15.169346 C30 H50 N2 O S2 " [ C30 H50 N2 O S2, mfg=73.76, tgt=, overall=73.76 ]" "(519.34534, 2747.865)(520.349, 1216.895)(521.3367, 740.955)" C30 H50 N2 O S2 FindByFormula + 518.3352 10.9939995 C30 H51 N O5 S2 " [ C30 H51 N O5 S2, mfg=80.91, tgt=, overall=80.91 ]" "(570.3267, 13645.671)(571.327, 4838.1685)(572.3337, 2446.1125)(608.28107, 1508.6744)(609.28143, 706.94147)(610.279, 507.42426)(592.3084, 3094.3665)(593.3068, 1025.6675)(594.3074, 1072.1533)" C30 H51 N O5 S2 FindByFormula + 569.3194 1.0725001 C30 H51 N3 O6 " [ C30 H51 N3 O6, mfg=91.73, tgt=, overall=91.73 ]" "(550.3852, 3327.9255)(588.34125, 672.51)(589.3483, 196.62334)(590.3386, 105.265)(572.3667, 8360.548)(573.37305, 2539.3118)(574.3753, 510.24094)" C30 H51 N3 O6 FindByFormula + 549.3781 17.792818 C30 H51 N5 O9 " [ C30 H51 N5 O9, mfg=68.43, tgt=, overall=68.43 ]" "(626.3746, 2289.42)(627.3822, 807.555)" C30 H51 N5 O9 FindByFormula + 625.3659 22.783167 C30 H51 N7 O9 " [ C30 H51 N7 O9, mfg=96.68, tgt=, overall=96.68 ]" "(654.3825, 10007.421)(655.3865, 3622.22)(656.3867, 1062.1278)(676.3646, 4966.0312)(677.3705, 2005.663)" C30 H51 N7 O9 FindByFormula + 653.375 14.629667 C30 H52 N18 O3 S " [ C30 H52 N18 O3 S, mfg=96.75, tgt=, overall=96.75 ]" "(743.4113, 5788.34)(744.41327, 2222.1033)(745.4131, 597.7967)" C30 H52 N18 O3 S FindByFormula - 744.4205 7.2403336 C30 H52 N6 O S " [ C30 H52 N6 O S, mfg=94.60, tgt=, overall=94.60 ]" "(545.4004, 5428.7725)(546.40186, 1717.2516)(547.4006, 477.4258)" C30 H52 N6 O S FindByFormula + 544.3912 21.050665 C30 H52 N6 O3 S " [ C30 H52 N6 O3 S, mfg=94.64, tgt=, overall=94.64 ]" "(577.391, 3150.3257)(578.39307, 1135.3372)(579.3912, 350.96146)" C30 H52 N6 O3 S FindByFormula + 576.3754 15.183858 C30 H52 N6 O7 " [ C30 H52 N6 O7, mfg=96.06, tgt=, overall=96.06 ]" "(609.3966, 17881.15)(610.4003, 6476.381)(611.39905, 1660.8712)(612.40436, 455.88998)" C30 H52 N6 O7 FindByFormula + 608.3898 18.161423 C30 H52 N6 O8 " [ C30 H52 N6 O8, mfg=99.08, tgt=, overall=99.08 ]" "(625.3915, 16800.91)(626.3947, 6035.5127)(627.39777, 1524.2825)(628.3996, 403.6331)" C30 H52 N6 O8 FindByFormula + 624.3848 15.886742 C30 H52 N6 O8 + 15.6595 " [ C30 H52 N6 O8, mfg=97.13, tgt=, overall=97.13 ]" "(625.3914, 12105.118)(626.3946, 4361.2603)(627.3989, 1298.3225)(628.4057, 233.23001)" C30 H52 N6 O8 + 15.6595 FindByFormula + 624.3857 15.6595 C30 H52 N6 O8 + 15.885709 " [ C30 H52 N6 O8, mfg=98.71, tgt=, overall=98.71 ]" "(625.3912, 16625.123)(626.3945, 6012.502)(627.3976, 1502.0939)(628.4014, 398.19843)" C30 H52 N6 O8 + 15.885709 FindByFormula + 624.3837 15.885709 C30 H52 N8 O3 " [ C30 H52 N8 O3, mfg=57.07, tgt=, overall=57.07 ]" "(573.42725, 1074.74)(574.42096, 507.96664)" C30 H52 N8 O3 FindByFormula + 572.4224 24.684668 C30 H53 Cl N10 O6 " [ C30 H53 Cl N10 O6, mfg=59.98, tgt=, overall=59.98 ]" "(683.3786, 1349.31)(684.3872, 652.32)(685.3606, 604.48)" C30 H53 Cl N10 O6 FindByFormula - 684.3866 6.982 C30 H54 N6 O11 S " [ C30 H54 N6 O11 S, mfg=95.84, tgt=, overall=95.84 ]" "(707.3644, 2792.695)(708.366, 927.905)(709.3655, 360.38)" C30 H54 N6 O11 S FindByFormula + 706.3564 20.276001 C30 H55 N11 O4 " [ C30 H55 N11 O4, mfg=99.15, tgt=, overall=99.15 ]" "(634.4512, 38137.473)(635.4539, 14069.369)(636.45654, 3445.925)(637.4531, 823.1036)" C30 H55 N11 O4 FindByFormula + 633.4438 17.106125 C30 H55 N11 O4 + 17.117065 " [ C30 H55 N11 O4, mfg=99.28, tgt=, overall=99.28 ]" "(634.45154, 36603.81)(635.45435, 13496.436)(636.4571, 3243.4612)(637.451, 302.29)" C30 H55 N11 O4 + 17.117065 FindByFormula + 633.4446 17.117065 C30 H55 N3 O6 S " [ C30 H55 N3 O6 S, mfg=78.33, tgt=, overall=78.33 ]" "(1193.761, 498.52002)(293.70197, 2015.268)(294.19907, 802.26794)(586.38983, 4812.2695)(587.3877, 2165.0625)(588.38885, 710.1525)(608.36694, 3971.3926)(609.3632, 837.35)(610.36383, 211.61751)" C30 H55 N3 O6 S FindByFormula + 585.3801 6.789201 C30 H55 N5 O5 " [ C30 H55 N5 O5, mfg=96.44, tgt=, overall=96.44 ]" "(566.42554, 1076.655)(567.4262, 893.85)(588.4095, 16682.824)(589.4135, 6168.9478)(590.4139, 1685.9066)(591.4089, 643.52)" C30 H55 N5 O5 FindByFormula + 565.4215 8.14125 C30 H56 N2 O11 " [ C30 H56 N2 O11, mfg=95.77, tgt=, overall=95.77 ]" "(619.3809, 6029.0547)(620.3846, 2348.5984)(621.38684, 661.536)" C30 H56 N2 O11 FindByFormula - 620.388 11.925332 C30 H56 O14 S " [ C30 H56 O14 S, mfg=90.26, tgt=, overall=90.26 ]" "(673.345, 3884.8625)(674.34766, 1354.0575)(675.3503, 682.99)" C30 H56 O14 S FindByFormula + 672.3377 8.1355 C30 H56 S4 " [ C30 H56 S4, mfg=67.06, tgt=, overall=67.06 ]" "(545.3364, 3330.155)(546.3317, 1377.53)(547.32886, 1147.78)(569.3165, 1416.065)" C30 H56 S4 FindByFormula + 544.3313 1.8385 C30 H57 N5 O3 S " [ C30 H57 N5 O3 S, mfg=83.16, tgt=, overall=83.16 ]" "(568.426, 5389.2812)(569.42737, 2606.659)(570.42676, 1000.0012)" C30 H57 N5 O3 S FindByFormula + 567.421 23.932 C30 H60 N12 O4 S " [ C30 H60 N12 O4 S, mfg=94.48, tgt=, overall=94.48 ]" "(683.45044, 6742.943)(684.45337, 2609.1938)(685.4507, 579.7195)" C30 H60 N12 O4 S FindByFormula - 684.4652 7.189722 C30 H60 N14 O2 S3 " [ C30 H60 N14 O2 S3, mfg=87.37, tgt=, overall=87.37 ]" "(743.4121, 2361.158)(744.4108, 930.964)(745.4098, 528.51)" C30 H60 N14 O2 S3 FindByFormula - 744.4159 7.2446 C30 H60 N4 O15 " [ C30 H60 N4 O15, mfg=91.24, tgt=, overall=91.24 ]" "(715.39874, 2941.0823)(716.39984, 1142.1542)(717.4053, 435.642)" C30 H60 N4 O15 FindByFormula - 716.4066 8.34325 C30 H61 N11 O8 " [ C30 H61 N11 O8, mfg=95.32, tgt=, overall=95.32 ]" "(704.47833, 5388.0938)(705.48145, 1770.6512)(706.4799, 300.9569)" C30 H61 N11 O8 FindByFormula + 703.4732 22.038855 C30 H64 N12 O4 S " [ C30 H64 N12 O4 S, mfg=95.68, tgt=, overall=95.68 ]" "(689.49646, 8117.7114)(690.5, 3435.3247)(691.4976, 829.5208)(692.4979, 212.92143)(711.4842, 243.73)(712.483, 289.87)" C30 H64 N12 O4 S FindByFormula + 688.4891 24.801407 C30 H64 N12 O4 S + 24.861448 " [ C30 H64 N12 O4 S, mfg=96.94, tgt=, overall=96.94 ]" "(689.49615, 7702.0283)(690.4999, 3287.7493)(691.4983, 929.1733)(692.4962, 277.07428)(711.47253, 1555.9099)(712.48254, 573.49)" C30 H64 N12 O4 S + 24.861448 FindByFormula + 688.4894 24.861448 C30 H64 N2 O14 S2 " [ C30 H64 N2 O14 S2, mfg=88.05, tgt=, overall=88.05 ]" "(741.3865, 6537.845)(742.3898, 2346.875)(743.39453, 1264.235)" C30 H64 N2 O14 S2 FindByFormula + 740.377 8.2015 C30 H64 N4 O2 " [ C30 H64 N4 O2, mfg=35.86, tgt=, overall=35.86 ]" "(513.5054, 4002.025)(514.51086, 800.33997)" C30 H64 N4 O2 FindByFormula + 512.4987 22.4065 C31 H N O4 S2 " [ C31 H N O4 S2, mfg=57.57, tgt=, overall=57.57 ]" "(515.9429, 2297.815)(516.9431, 873.68494)" C31 H N O4 S2 FindByFormula + 514.9356 7.7755003 C31 H16 N12 O10 " [ C31 H16 N12 O10, mfg=71.15, tgt=, overall=71.15 ]" "(717.11804, 647.53503)(718.12067, 266.655)" C31 H16 N12 O10 FindByFormula + 716.1086 15.3575 C31 H16 N2 O3 " [ C31 H16 N2 O3, mfg=74.73, tgt=, overall=74.73 ]" "(463.1092, 1120.9451)(464.11154, 298.89)" C31 H16 N2 O3 FindByFormula - 464.1172 15.019 C31 H19 N9 O8 " [ C31 H19 N9 O8, mfg=90.59, tgt=, overall=90.59 ]" "(1291.2809, 320.74)(1292.2734, 588.95)(1329.2241, 397.76752)(1313.7648, 297.415)(1314.2609, 201.38335)(646.14264, 3933.3308)(647.1459, 1471.9285)(648.1497, 600.84076)(668.1277, 265.5375)" C31 H19 N9 O8 FindByFormula + 645.1352 1.936769 C31 H22 N2 O6 " [ C31 H22 N2 O6, mfg=67.32, tgt=, overall=67.32 ]" "(519.15436, 1794.89)(520.1633, 529.885)(541.14, 549.6)" C31 H22 N2 O6 FindByFormula + 518.1469 10.521 C31 H22 N8 O9 S " [ C31 H22 N8 O9 S, mfg=95.97, tgt=, overall=95.97 ]" "(683.13104, 2272.8276)(684.13245, 840.185)(685.13367, 334.355)" C31 H22 N8 O9 S FindByFormula + 682.1226 20.49325 C31 H25 N11 O2 " [ C31 H25 N11 O2, mfg=76.87, tgt=, overall=76.87 ]" "(584.22656, 2194.2148)(585.22986, 732.505)" C31 H25 N11 O2 FindByFormula + 583.2186 16.6475 C31 H27 N11 O2 " [ C31 H27 N11 O2, mfg=96.94, tgt=, overall=96.94 ]" "(586.242, 4084.9148)(587.2444, 1424.5792)(588.2468, 385.36664)(608.2194, 581.29)(609.22046, 259.15)" C31 H27 N11 O2 FindByFormula + 585.2378 15.127817 C31 H28 N2 " [ C31 H28 N2, mfg=71.87, tgt=, overall=71.87 ]" "(429.2329, 3764.9602)(430.23853, 1059.4884)" C31 H28 N2 FindByFormula + 428.2259 13.918334 C31 H30 N2 " [ C31 H30 N2, mfg=75.94, tgt=, overall=75.94 ]" "(861.49927, 405.06378)(862.50604, 208.77998)(216.12817, 739.48883)(216.62976, 241.47003)(431.24722, 15075.488)(432.24985, 4415.9463)" C31 H30 N2 FindByFormula + 430.2396 13.712066 C31 H30 N2 + 13.680352 " [ C31 H30 N2, mfg=74.42, tgt=, overall=74.42 ]" "(861.5006, 531.595)(862.48376, 316.6)(216.12924, 438.535)(216.62595, 152.525)(431.24704, 15080.117)(432.2496, 4353.1885)" C31 H30 N2 + 13.680352 FindByFormula + 430.239 13.680352 C31 H30 N8 O " [ C31 H30 N8 O, mfg=75.49, tgt=, overall=75.49 ]" "(531.26263, 5347.3325)(532.26605, 1779.6)" C31 H30 N8 O FindByFormula + 530.2551 22.37175 C31 H30 N8 O + 22.3428 " [ C31 H30 N8 O, mfg=75.59, tgt=, overall=75.59 ]" "(531.2625, 5762.1846)(532.26355, 1892.4379)" C31 H30 N8 O + 22.3428 FindByFormula + 530.2534 22.3428 C31 H32 N2 O " [ C31 H32 N2 O, mfg=78.50, tgt=, overall=78.50 ]" "(449.2588, 5287.84)(450.26154, 1551.0825)" C31 H32 N2 O FindByFormula + 448.2518 12.29875 C31 H32 N2 O + 13.631667 " [ C31 H32 N2 O, mfg=75.92, tgt=, overall=75.92 ]" "(449.2587, 2436.7932)(450.2601, 729.49664)" C31 H32 N2 O + 13.631667 FindByFormula + 448.2537 13.631667 C31 H32 N2 O6 S " [ C31 H32 N2 O6 S, mfg=91.69, tgt=, overall=91.69 ]" "(561.2052, 4430.92)(562.2093, 1340.846)(563.21106, 554.4375)(564.2039, 81.26)" C31 H32 N2 O6 S FindByFormula + 560.1974 13.546201 C31 H34 N10 " [ C31 H34 N10, mfg=87.38, tgt=, overall=87.38 ]" "(547.3056, 7827.6895)(548.3052, 3228.675)(549.3066, 750.08)(585.25195, 417.145)(569.2963, 4777.15)(570.2975, 1649.278)" C31 H34 N10 FindByFormula + 546.3075 7.7629995 C31 H34 N16 O4 S " [ C31 H34 N16 O4 S, mfg=95.38, tgt=, overall=95.38 ]" "(727.27454, 11216.02)(728.2763, 4731.665)(729.2736, 1176.5)(730.287, 208.1)" C31 H34 N16 O4 S FindByFormula + 726.2666 21.04425 C31 H35 N13 " [ C31 H35 N13, mfg=96.04, tgt=, overall=96.04 ]" "(590.3206, 6732.19)(591.32306, 2602.394)(592.3231, 639.156)" C31 H35 N13 FindByFormula + 589.3121 14.0534 C31 H35 N5 O7 " [ C31 H35 N5 O7, mfg=95.26, tgt=, overall=95.26 ]" "(588.24567, 6612.189)(589.24896, 2172.2102)(590.25653, 455.57834)" C31 H35 N5 O7 FindByFormula - 589.2533 7.233667 C31 H35 N5 O7 - 14.534999 " [ C31 H35 N5 O7, mfg=73.39, tgt=, overall=73.39 ]" "(588.24677, 2125.9656)(589.2487, 606.5728)" C31 H35 N5 O7 - 14.534999 FindByFormula - 589.2529 14.534999 C31 H35 N5 O7 S " [ C31 H35 N5 O7 S, mfg=83.84, tgt=, overall=83.84 ]" "(622.23193, 3899.77)(623.24, 1485.3401)(624.23474, 740.605)" C31 H35 N5 O7 S FindByFormula + 621.2253 9.988 C31 H35 N9 O3 " [ C31 H35 N9 O3, mfg=76.98, tgt=, overall=76.98 ]" "(291.65018, 1480.1975)(292.15152, 492.02)(582.29614, 1290.735)(583.30035, 678.66003)(584.3003, 304.395)" C31 H35 N9 O3 FindByFormula + 581.29 14.049 C31 H36 N8 O9 " [ C31 H36 N8 O9, mfg=70.94, tgt=, overall=70.94 ]" "(665.2667, 2318.9)(666.27246, 791.26)" C31 H36 N8 O9 FindByFormula + 664.2609 15.718 C31 H37 N O5 " [ C31 H37 N O5, mfg=86.60, tgt=, overall=86.60 ]" "(252.6414, 3897.7122)(253.14194, 1213.5641)(253.64493, 498.456)(254.1468, 152.3)(504.27582, 6354.4883)(505.2752, 2022.7861)(506.2857, 547.69)(526.2549, 217.28499)" C31 H37 N O5 FindByFormula + 503.2646 17.573399 C31 H38 N2 O3 " [ C31 H38 N2 O3, mfg=96.92, tgt=, overall=96.92 ]" "(485.28012, 6080.3135)(486.28372, 1904.6665)(487.28616, 391.405)" C31 H38 N2 O3 FindByFormula - 486.2882 23.982203 C31 H38 N2 O3 - 22.4305 " [ C31 H38 N2 O3, mfg=78.08, tgt=, overall=78.08 ]" "(485.28094, 2119.03)(486.2851, 656.83)" C31 H38 N2 O3 - 22.4305 FindByFormula - 486.2891 22.4305 C31 H38 N2 O3 - 22.4694 " [ C31 H38 N2 O3, mfg=78.01, tgt=, overall=78.01 ]" "(485.2802, 1778.04)(486.2836, 583.3041)" C31 H38 N2 O3 - 22.4694 FindByFormula - 486.2888 22.4694 C31 H38 N2 O3 - 22.871502 " [ C31 H38 N2 O3, mfg=97.84, tgt=, overall=97.84 ]" "(485.2806, 2931.359)(486.28397, 955.2875)(487.28787, 111.763336)" C31 H38 N2 O3 - 22.871502 FindByFormula - 486.289 22.871502 C31 H38 N2 O3 - 23.407999 " [ C31 H38 N2 O3, mfg=98.87, tgt=, overall=98.87 ]" "(485.28116, 2014.8682)(486.28436, 670.894)(487.28662, 154.495)" C31 H38 N2 O3 - 23.407999 FindByFormula - 486.2887 23.407999 C31 H39 N O11 S " [ C31 H39 N O11 S, mfg=88.14, tgt=, overall=88.14 ]" "(634.2295, 2223.09)(635.2338, 778.6717)(636.237, 336.50333)(656.21185, 1892.0332)(657.2229, 801.6434)(658.2224, 293.09332)" C31 H39 N O11 S FindByFormula + 633.224 17.613333 C31 H39 N5 O2 " [ C31 H39 N5 O2, mfg=74.40, tgt=, overall=74.40 ]" "(514.3184, 1243.36)(515.31964, 475.19327)" C31 H39 N5 O2 FindByFormula + 513.3101 13.006333 C31 H40 N8 O3 " [ C31 H40 N8 O3, mfg=76.41, tgt=, overall=76.41 ]" "(571.3154, 1042.085)(572.3192, 371.76)" C31 H40 N8 O3 FindByFormula - 572.3248 8.666 C31 H42 N10 O2 S5 " [ C31 H42 N10 O2 S5, mfg=81.31, tgt=, overall=40.65 ]" "(747.2167, 454.34998)(748.2187, 170.11)(749.2171, 171.13)" C31 H42 N10 O2 S5 FindByFormula + 746.21 16.775501 C31 H42 N6 O8 " [ C31 H42 N6 O8, mfg=74.75, tgt=, overall=74.75 ]" "(625.29913, 1410.14)(626.3027, 521.36664)" C31 H42 N6 O8 FindByFormula - 626.3038 8.458667 C31 H44 N14 O " [ C31 H44 N14 O, mfg=74.99, tgt=, overall=74.99 ]" "(627.3758, 1897.79)(628.37866, 747.245)" C31 H44 N14 O FindByFormula - 628.3817 10.3815 C31 H44 N6 O9 S " [ C31 H44 N6 O9 S, mfg=95.01, tgt=, overall=95.01 ]" "(677.2988, 3426.9678)(678.2976, 1549.3914)(679.2995, 368.14252)(715.2584, 533.94745)(716.2549, 312.47)(699.2786, 10525.222)(700.2809, 4005.2783)(701.2815, 1029.3567)" C31 H44 N6 O9 S FindByFormula + 676.292 22.374554 C31 H45 N11 O3 " [ C31 H45 N11 O3, mfg=72.72, tgt=, overall=72.72 ]" "(618.3651, 3014.52)(619.36646, 1020.175)" C31 H45 N11 O3 FindByFormula - 619.372 7.7655 C31 H45 N15 O2 " [ C31 H45 N15 O2, mfg=73.95, tgt=, overall=73.95 ]" "(658.3806, 2436.42)(659.38135, 909.71)" C31 H45 N15 O2 FindByFormula - 659.388 7.9915 C31 H45 N7 O2 " [ C31 H45 N7 O2, mfg=91.77, tgt=, overall=91.77 ]" "(548.3646, 3315.1902)(549.3516, 71.66)(570.35223, 4422.83)(571.35767, 1454.008)(572.3564, 410.535)" C31 H45 N7 O2 FindByFormula + 547.3608 16.0612 C31 H46 Cl N15 O " [ C31 H46 Cl N15 O, mfg=70.31, tgt=, overall=70.31 ]" "(680.3771, 3176.85)(681.3832, 1337.4199)(682.3699, 1273.37)" C31 H46 Cl N15 O FindByFormula + 679.3668 24.195 C31 H46 Cl N5 O3 " [ C31 H46 Cl N5 O3, mfg=59.71, tgt=, overall=59.71 ]" "(572.3387, 8405.033)(573.3355, 4197.48)(574.3312, 3003.31)(594.313, 3971.92)" C31 H46 Cl N5 O3 FindByFormula + 571.3333 1.1423334 C31 H46 N12 O4 " [ C31 H46 N12 O4, mfg=92.23, tgt=, overall=92.23 ]" "(651.3828, 14654.297)(652.38666, 5709.8213)(653.391, 1818.0715)(654.40027, 576.16144)" C31 H46 N12 O4 FindByFormula + 650.3758 24.743464 C31 H46 N2 O11 " [ C31 H46 N2 O11, mfg=93.79, tgt=, overall=46.89 ]" "(1245.6102, 304.9425)(1267.5986, 284.654)(623.3155, 3268.7698)(624.31903, 963.5816)(625.3175, 355.34222)(626.3202, 51.88)(661.2703, 454.53333)(645.2984, 3793.554)(646.3029, 1428.8088)(647.30615, 475.8675)" C31 H46 N2 O11 FindByFormula + 622.3077 26.925 C31 H46 N6 " [ C31 H46 N6, mfg=65.92, tgt=, overall=65.92 ]" "(503.38416, 4038.96)(504.3891, 1844.5049)" C31 H46 N6 FindByFormula + 502.3752 7.4315 C31 H47 N15 " [ C31 H47 N15, mfg=76.06, tgt=, overall=76.06 ]" "(628.4065, 2939.0203)(629.4097, 1175.6067)" C31 H47 N15 FindByFormula - 629.415 7.0709996 C31 H47 N15 - 7.06025 " [ C31 H47 N15, mfg=75.58, tgt=, overall=75.58 ]" "(628.40674, 2364.3198)(629.4094, 974.17)" C31 H47 N15 - 7.06025 FindByFormula - 629.4167 7.06025 C31 H47 N15 - 7.63 " [ C31 H47 N15, mfg=76.16, tgt=, overall=76.16 ]" "(628.4075, 3550.31)(629.4093, 1289.815)" C31 H47 N15 - 7.63 FindByFormula - 629.4169 7.63 C31 H48 N10 O5 S " [ C31 H48 N10 O5 S, mfg=93.34, tgt=, overall=93.34 ]" "(671.34515, 2846.3616)(672.34686, 1089.1683)(673.35034, 442.665)" C31 H48 N10 O5 S FindByFormula - 672.3576 9.236667 C31 H49 N3 O S2 " [ C31 H49 N3 O S2, mfg=85.85, tgt=, overall=85.85 ]" "(544.33624, 8087.5093)(545.34033, 2258.3843)(546.34656, 728.335)(566.3201, 10135.101)(567.32214, 3354.1084)(568.3343, 1415.3451)(569.3233, 585.39667)" C31 H49 N3 O S2 FindByFormula + 543.3314 13.812333 C31 H49 N9 S4 " [ C31 H49 N9 S4, mfg=89.12, tgt=, overall=89.12 ]" "(1351.593, 152.59)(676.307, 6920.846)(677.3109, 2557.288)(678.30457, 1704.645)(698.2863, 1798.77)(699.28656, 658.25336)(700.27045, 145.235)" C31 H49 N9 S4 FindByFormula + 675.3014 17.2562 C31 H50 O2 S " [ C31 H50 O2 S, mfg=94.60, tgt=, overall=94.60 ]" "(996.6718, 853.2)(487.3601, 2070.224)(488.36215, 662.22003)(489.36163, 155.704)" C31 H50 O2 S FindByFormula + 486.3546 19.6792 C31 H51 N S " [ C31 H51 N S, mfg=94.19, tgt=, overall=94.19 ]" "(470.3821, 6284.8184)(471.38474, 2052.4783)(472.387, 633.02)(492.36395, 1188.942)(493.36624, 658.785)" C31 H51 N S FindByFormula + 469.3763 15.020668 C31 H51 N3 S4 " [ C31 H51 N3 S4, mfg=77.13, tgt=, overall=77.13 ]" "(594.3043, 1458.0651)(595.30994, 698.22)(596.30396, 433.12)(616.2903, 490.62)" C31 H51 N3 S4 FindByFormula + 593.3078 1.5265 C31 H51 N5 O4 " [ C31 H51 N5 O4, mfg=72.27, tgt=, overall=72.27 ]" "(279.70416, 1820.958)(280.20462, 723.582)(558.3976, 1571.5)(559.39954, 608.67596)(580.3775, 805.0867)" C31 H51 N5 O4 FindByFormula + 557.393 3.1066668 C31 H52 N16 O3 " [ C31 H52 N16 O3, mfg=96.69, tgt=, overall=96.69 ]" "(697.449, 12228.68)(698.45184, 5146.8125)(699.4512, 994.6609)(700.45166, 406.255)" C31 H52 N16 O3 FindByFormula + 696.4408 18.223583 C31 H52 N16 O3 + 17.845999 " [ C31 H52 N16 O3, mfg=97.73, tgt=, overall=97.73 ]" "(697.4487, 10972.884)(698.45197, 4159.7896)(699.45154, 844.334)(700.4512, 221.09715)" C31 H52 N16 O3 + 17.845999 FindByFormula + 696.4407 17.845999 C31 H52 N16 O3 + 18.225555 " [ C31 H52 N16 O3, mfg=95.84, tgt=, overall=95.84 ]" "(697.449, 13293.041)(698.45245, 5372.9683)(699.45087, 871.53894)(700.45135, 367.75)" C31 H52 N16 O3 + 18.225555 FindByFormula + 696.441 18.225555 C31 H52 N2 O4 S2 " [ C31 H52 N2 O4 S2, mfg=90.53, tgt=, overall=90.53 ]" "(581.34436, 2984.8445)(582.3485, 972.996)(583.3467, 567.228)" C31 H52 N2 O4 S2 FindByFormula + 580.3372 18.1962 C31 H54 Cl N3 O2 S2 " [ C31 H54 Cl N3 O2 S2, mfg=58.67, tgt=, overall=58.67 ]" "(600.34625, 1341.455)(601.3433, 623.3875)(602.3333, 704.03)(622.3302, 237.23)" C31 H54 Cl N3 O2 S2 FindByFormula + 599.3371 1.2492499 C31 H54 N6 O2 S " [ C31 H54 N6 O2 S, mfg=82.17, tgt=, overall=82.17 ]" "(575.4103, 1126.06)(576.41626, 504.81)(577.4123, 224.155)" C31 H54 N6 O2 S FindByFormula + 574.4045 19.049 C31 H55 N S4 " [ C31 H55 N S4, mfg=74.30, tgt=, overall=74.30 ]" "(570.3262, 17934.64)(571.327, 6349.4404)(572.33655, 5021.29)(608.2851, 1484.67)(609.3005, 497.12)(610.2862, 724.25)(592.3086, 3463.495)(593.2974, 1664.175)(594.3058, 999.035)" C31 H55 N S4 FindByFormula + 569.3178 1.0645001 C31 H55 N17 O3 S " [ C31 H55 N17 O3 S, mfg=92.44, tgt=, overall=92.44 ]" "(373.72702, 3019.517)(374.22635, 1231.332)(374.72638, 425.63113)(746.43884, 3266.9058)(747.4398, 1347.46)(748.4357, 366.42398)(768.42303, 4163.87)(769.4225, 1804.541)(770.4259, 658.9911)" C31 H55 N17 O3 S FindByFormula + 745.4344 4.2834997 C31 H56 N2 O3 S " [ C31 H56 N2 O3 S, mfg=92.68, tgt=, overall=92.68 ]" "(537.4077, 5681.42)(538.4137, 1843.52)(539.4098, 693.41504)(559.391, 2590.115)(560.39856, 875.36)(561.39307, 1069.14)" C31 H56 N2 O3 S FindByFormula + 536.3984 24.0635 C31 H58 N4 O7 " [ C31 H58 N4 O7, mfg=97.20, tgt=, overall=97.20 ]" "(599.43866, 50283.49)(600.4414, 17195.53)(601.44086, 3733.4211)(602.4313, 597.655)" C31 H58 N4 O7 FindByFormula + 598.4313 14.797751 C31 H59 N O4 " [ C31 H59 N O4, mfg=69.10, tgt=, overall=69.10 ]" "(510.4512, 2729.3733)(511.454, 1187.6901)" C31 H59 N O4 FindByFormula + 509.4415 20.412666 C31 H59 N O4 + 20.412666 " [ C31 H59 N O4, mfg=69.10, tgt=, overall=69.10 ]" "(510.4512, 2729.3733)(511.454, 1187.6901)" C31 H59 N O4 + 20.412666 FindByFormula + 509.4437 20.412666 C31 H60 N16 O5 " [ C31 H60 N16 O5, mfg=96.64, tgt=, overall=96.64 ]" "(737.5005, 6094.6235)(738.5045, 2564.2224)(739.50507, 723.92206)(740.5002, 223.04)" C31 H60 N16 O5 FindByFormula + 736.4921 17.592264 C31 H60 N16 O5 + 17.594187 " [ C31 H60 N16 O5, mfg=97.10, tgt=, overall=97.10 ]" "(737.4997, 6650.796)(738.50366, 2779.7944)(739.504, 777.6562)(740.49634, 107.72)" C31 H60 N16 O5 + 17.594187 FindByFormula + 736.491 17.594187 C31 H60 N2 O12 " [ C31 H60 N2 O12, mfg=95.35, tgt=, overall=95.35 ]" "(653.42236, 13210.25)(654.4258, 5150.835)(655.4258, 1635.1671)(656.425, 218.44002)" C31 H60 N2 O12 FindByFormula + 652.4146 18.2905 C31 H60 N2 O12 + 18.290335 " [ C31 H60 N2 O12, mfg=96.58, tgt=, overall=96.58 ]" "(653.4224, 12123.418)(654.4258, 4687.037)(655.4261, 1393.3134)(656.425, 218.44002)" C31 H60 N2 O12 + 18.290335 FindByFormula + 652.4172 18.290335 C31 H60 N2 O12 + 18.2905 " [ C31 H60 N2 O12, mfg=95.35, tgt=, overall=95.35 ]" "(653.42236, 13210.25)(654.4258, 5150.835)(655.4258, 1635.1671)(656.425, 218.44002)" C31 H60 N2 O12 + 18.2905 FindByFormula + 652.4155 18.2905 C31 H60 N2 O13 " [ C31 H60 N2 O13, mfg=98.80, tgt=, overall=98.80 ]" "(669.4173, 12209.153)(670.4207, 4595.8984)(671.4227, 1173.9976)(672.42224, 395.58566)" C31 H60 N2 O13 FindByFormula + 668.4092 15.823549 C31 H60 N2 O13 + 15.816003 " [ C31 H60 N2 O13, mfg=98.98, tgt=, overall=98.98 ]" "(669.41705, 12531.814)(670.4209, 4743.583)(671.4227, 1243.0594)(672.4156, 237.93143)" C31 H60 N2 O13 + 15.816003 FindByFormula + 668.4091 15.816003 C31 H64 N6 O4 S3 " [ C31 H64 N6 O4 S3, mfg=85.21, tgt=, overall=85.21 ]" "(681.42084, 2275.8076)(682.42474, 835.59753)(683.4272, 515.8325)" C31 H64 N6 O4 S3 FindByFormula + 680.4128 16.230251 C31 H66 N8 O2 S2 " [ C31 H66 N8 O2 S2, mfg=93.71, tgt=, overall=93.71 ]" "(647.4809, 3245.8242)(648.4839, 1405.678)(649.47986, 563.32)(650.4809, 129.395)(685.4379, 1347.2534)(686.44, 990.63)" C31 H66 N8 O2 S2 FindByFormula + 646.4743 24.3926 C31 H67 N11 O2 S2 " [ C31 H67 N11 O2 S2, mfg=76.25, tgt=, overall=76.25 ]" "(690.5027, 2235.335)(691.49976, 742.985)(692.497, 388.53497)" C31 H67 N11 O2 S2 FindByFormula + 689.4942 24.9555 C31 H67 N7 O3 " [ C31 H67 N7 O3, mfg=72.17, tgt=, overall=72.17 ]" "(584.52325, 1204.5599)(585.5266, 518.756)" C31 H67 N7 O3 FindByFormula - 585.5287 24.025103 C32 H12 N12 " [ C32 H12 N12, mfg=90.14, tgt=, overall=90.14 ]" "(565.137, 2374.58)(566.1435, 848.74335)(567.14655, 150.32)" C32 H12 N12 FindByFormula + 564.1268 20.121332 C32 H15 N3 O " [ C32 H15 N3 O, mfg=71.89, tgt=, overall=71.89 ]" "(458.1276, 1828.27)(459.13416, 668.71497)(480.10828, 1513.06)" C32 H15 N3 O FindByFormula + 457.1215 6.9165 C32 H21 Cl N2 O8 S " [ C32 H21 Cl N2 O8 S, mfg=64.83, tgt=, overall=64.83 ]" "(629.0803, 2880.69)(630.07684, 1570.845)(631.0774, 1682.995)" C32 H21 Cl N2 O8 S FindByFormula + 628.0652 9.7335 C32 H26 N2 O18 " [ C32 H26 N2 O18, mfg=65.85, tgt=, overall=65.85 ]" "(727.12695, 1062.0299)(749.10815, 2280.512)(750.1081, 640.552)" C32 H26 N2 O18 FindByFormula + 726.1208 15.2012 C32 H26 N20 O " [ C32 H26 N20 O, mfg=66.78, tgt=, overall=66.78 ]" "(707.2674, 633.735)(708.2705, 326.385)" C32 H26 N20 O FindByFormula + 706.2573 27.6365 C32 H27 N9 O3 S3 " [ C32 H27 N9 O3 S3, mfg=88.32, tgt=, overall=88.32 ]" "(682.147, 5384.3037)(683.1519, 2027.7161)(684.1481, 1276.53)" C32 H27 N9 O3 S3 FindByFormula + 681.1391 9.445399 C32 H32 N4 O4 " [ C32 H32 N4 O4, mfg=98.61, tgt=, overall=98.61 ]" "(537.25024, 18610.64)(538.25366, 6890.904)(539.2553, 1183.7234)(540.25977, 337.905)" C32 H32 N4 O4 FindByFormula + 536.2434 18.425001 C32 H33 N11 O " [ C32 H33 N11 O, mfg=54.68, tgt=, overall=54.68 ]" "(588.29675, 583.94)(589.2949, 326.19)" C32 H33 N11 O FindByFormula + 587.2856 15.547501 C32 H33 N3 O " [ C32 H33 N3 O, mfg=61.57, tgt=, overall=30.79 ]" "(476.27335, 2647.63)(477.26996, 958.71497)" C32 H33 N3 O FindByFormula + 475.2657 1.1315 C32 H34 N8 O " [ C32 H34 N8 O, mfg=73.06, tgt=, overall=73.06 ]" "(545.28, 959.99)(546.2814, 329.78)" C32 H34 N8 O FindByFormula - 546.2834 7.9259996 C32 H35 N13 O7 " [ C32 H35 N13 O7, mfg=58.16, tgt=, overall=58.16 ]" "(714.288, 1963.9066)(715.283, 953.8566)" C32 H35 N13 O7 FindByFormula + 713.2805 26.811998 C32 H36 N12 S5 " [ C32 H36 N12 S5, mfg=71.21, tgt=, overall=35.60 ]" "(749.18774, 945.27)(750.1904, 535.83997)(751.1824, 521.46)" C32 H36 N12 S5 FindByFormula + 748.1755 13.738 C32 H36 N8 O4 " [ C32 H36 N8 O4, mfg=74.67, tgt=, overall=74.67 ]" "(595.278, 1387.2)(596.2804, 526.525)" C32 H36 N8 O4 FindByFormula - 596.2874 7.71 C32 H36 O4 " [ C32 H36 O4, mfg=75.21, tgt=, overall=75.21 ]" "(483.25476, 2930.665)(484.25916, 892.385)" C32 H36 O4 FindByFormula - 484.2639 8.7915 C32 H38 N10 O2 S " [ C32 H38 N10 O2 S, mfg=94.80, tgt=, overall=94.80 ]" "(627.2983, 6061.653)(628.30115, 2283.7112)(629.2976, 631.16254)" C32 H38 N10 O2 S FindByFormula + 626.2907 24.305124 C32 H39 Cl N2 " [ C32 H39 Cl N2, mfg=71.16, tgt=, overall=71.16 ]" "(487.2897, 1403.1167)(488.2915, 634.68335)(489.28482, 654.24335)" C32 H39 Cl N2 FindByFormula + 486.2862 27.140665 C32 H40 N10 O5 S " [ C32 H40 N10 O5 S, mfg=94.98, tgt=, overall=94.98 ]" "(677.2973, 2525.375)(678.2963, 992.22)(679.2986, 275.18835)(715.2608, 914.975)(699.279, 11082.266)(700.28217, 4033.7302)(701.279, 1103.2616)" C32 H40 N10 O5 S FindByFormula + 676.2902 22.101667 C32 H40 N2 O4 " [ C32 H40 N2 O4, mfg=67.17, tgt=, overall=67.17 ]" "(517.3098, 10524.19)(518.3008, 3858.92)(539.2921, 7303.56)(540.2931, 3036.67)" C32 H40 N2 O4 FindByFormula + 516.3007 7.8895 C32 H40 O3 " [ C32 H40 O3, mfg=61.77, tgt=, overall=61.77 ]" "(473.30664, 200.88501)(474.3088, 97.0)" C32 H40 O3 FindByFormula + 472.2983 1.7955 C32 H41 N O " [ C32 H41 N O, mfg=61.92, tgt=, overall=61.92 ]" "(456.32635, 1460.1725)(457.32562, 635.98126)" C32 H41 N O FindByFormula + 455.317 13.241375 C32 H43 N3 S2 " [ C32 H43 N3 S2, mfg=93.33, tgt=, overall=93.33 ]" "(534.29736, 4303.2754)(535.3003, 1822.6375)(536.29675, 753.81006)(572.2581, 10263.343)(573.26044, 2848.2131)(574.26996, 807.89667)(556.279, 1723.225)" C32 H43 N3 S2 FindByFormula + 533.292 17.6035 C32 H43 N7 O5 S2 " [ C32 H43 N7 O5 S2, mfg=83.15, tgt=, overall=83.15 ]" "(668.2681, 878.3833)(669.2715, 347.67667)(670.2751, 212.89)" C32 H43 N7 O5 S2 FindByFormula - 669.2734 17.601 C32 H44 O S " [ C32 H44 O S, mfg=90.36, tgt=, overall=45.18 ]" "(477.31726, 4637.38)(478.3188, 1625.1124)(479.32034, 497.625)" C32 H44 O S FindByFormula + 476.3105 10.03775 C32 H44 O S + 10.014333 " [ C32 H44 O S, mfg=89.34, tgt=, overall=44.67 ]" "(477.31772, 4340.629)(478.32043, 1348.9634)(479.3158, 313.83112)" C32 H44 O S + 10.014333 FindByFormula + 476.3132 10.014333 C32 H44 O5 " [ C32 H44 O5, mfg=76.93, tgt=, overall=76.93 ]" "(507.31088, 1667.1034)(508.3143, 550.61334)" C32 H44 O5 FindByFormula - 508.3189 15.425667 C32 H45 N11 S " [ C32 H45 N11 S, mfg=93.25, tgt=, overall=93.25 ]" "(616.36536, 7362.3765)(617.3672, 2756.22)(618.36334, 986.4556)(654.3211, 1083.2025)(655.32336, 344.4325)(638.34503, 1464.8667)(639.3406, 939.7875)(640.3465, 630.375)" C32 H45 N11 S FindByFormula + 615.3622 1.1344286 C32 H45 N17 O3 " [ C32 H45 N17 O3, mfg=72.98, tgt=, overall=72.98 ]" "(714.3829, 1344.486)(715.3856, 511.61005)" C32 H45 N17 O3 FindByFormula - 715.3924 1.0967 C32 H46 N14 O " [ C32 H46 N14 O, mfg=74.49, tgt=, overall=74.49 ]" "(641.3918, 7769.2773)(642.39386, 2954.5437)" C32 H46 N14 O FindByFormula - 642.3993 8.622001 C32 H46 N8 O4 S " [ C32 H46 N8 O4 S, mfg=94.62, tgt=, overall=94.62 ]" "(639.3427, 11320.606)(640.34625, 4330.1035)(641.34845, 1448.75)(661.32886, 6012.82)(662.33374, 1465.05)(663.33057, 624.23)" C32 H46 N8 O4 S FindByFormula + 638.3399 7.353333 C32 H47 N O13 " [ C32 H47 N O13, mfg=93.32, tgt=, overall=93.32 ]" "(652.29645, 2396.6882)(653.2995, 871.0258)(654.3082, 214.33249)" C32 H47 N O13 FindByFormula - 653.3084 7.456583 C32 H47 N15 O " [ C32 H47 N15 O, mfg=75.70, tgt=, overall=75.70 ]" "(656.4015, 1232.6599)(657.40344, 473.415)" C32 H47 N15 O FindByFormula - 657.41 8.1165 C32 H47 N15 O - 8.1165 " [ C32 H47 N15 O, mfg=75.70, tgt=, overall=75.70 ]" "(656.4015, 1232.6599)(657.40344, 473.415)" C32 H47 N15 O - 8.1165 FindByFormula - 657.4082 8.1165 C32 H47 N7 O " [ C32 H47 N7 O, mfg=94.59, tgt=, overall=94.59 ]" "(546.3914, 49525.836)(547.3955, 16279.815)(548.39966, 3508.952)(549.3959, 759.945)" C32 H47 N7 O FindByFormula + 545.3881 17.303799 C32 H48 N20 O " [ C32 H48 N20 O, mfg=69.65, tgt=, overall=69.65 ]" "(729.43896, 1102.695)(730.44336, 506.565)" C32 H48 N20 O FindByFormula + 728.434 13.9595 C32 H48 N20 S " [ C32 H48 N20 S, mfg=91.33, tgt=, overall=91.33 ]" "(373.21774, 1848.5325)(373.71704, 761.215)(745.41815, 104899.336)(746.4204, 41233.926)(747.4151, 9630.923)(748.4048, 1859.9551)(392.1924, 1911.92)(392.6929, 742.0)(767.40155, 26363.625)(768.4022, 9221.676)(769.4077, 1793.8)" C32 H48 N20 S FindByFormula + 744.4107 7.1787996 C32 H48 N6 O S2 " [ C32 H48 N6 O S2, mfg=87.07, tgt=, overall=87.07 ]" "(597.3407, 2208.9783)(598.3428, 757.15094)(599.3433, 481.83633)" C32 H48 N6 O S2 FindByFormula + 596.3336 15.877817 C32 H48 N6 S2 " [ C32 H48 N6 S2, mfg=88.33, tgt=, overall=88.33 ]" "(581.34576, 2605.6633)(582.35016, 936.41)(583.3414, 481.1)" C32 H48 N6 S2 FindByFormula + 580.3371 18.573668 C32 H49 N O12 " [ C32 H49 N O12, mfg=95.93, tgt=, overall=95.93 ]" "(640.3326, 25094.969)(641.33405, 8236.806)(642.33887, 2155.2385)(662.312, 20269.127)(663.3184, 6171.432)(664.3212, 2191.5142)" C32 H49 N O12 FindByFormula + 639.3216 7.609643 C32 H49 N O17 " [ C32 H49 N O17, mfg=96.83, tgt=, overall=96.83 ]" "(720.31384, 9699.675)(742.2892, 36225.906)(743.2925, 12503.405)(744.29785, 3957.415)" C32 H49 N O17 FindByFormula + 719.2991 6.851 C32 H49 N15 " [ C32 H49 N15, mfg=75.26, tgt=, overall=75.26 ]" "(642.42163, 1897.9099)(643.4251, 670.04504)" C32 H49 N15 FindByFormula - 643.4292 7.744 C32 H49 N15 O2 " [ C32 H49 N15 O2, mfg=73.80, tgt=, overall=73.80 ]" "(676.4271, 4318.85)(677.43085, 1576.51)" C32 H49 N15 O2 FindByFormula + 675.4201 24.424 C32 H50 Cl N O10 S2 " [ C32 H50 Cl N O10 S2, mfg=97.06, tgt=, overall=97.06 ]" "(708.26276, 3624.186)(709.2673, 1428.3419)(710.2622, 1887.694)(711.26245, 722.90204)(712.26624, 343.40002)" C32 H50 Cl N O10 S2 FindByFormula + 707.2557 26.08638 C32 H50 N12 O4 " [ C32 H50 N12 O4, mfg=90.34, tgt=, overall=90.34 ]" "(1333.8228, 99.84)(667.41473, 5671.675)(668.41644, 2190.4102)(669.4225, 823.41504)" C32 H50 N12 O4 FindByFormula + 666.4068 18.935501 C32 H50 N2 O9 " [ C32 H50 N2 O9, mfg=96.19, tgt=, overall=96.19 ]" "(607.3586, 7862.0625)(608.3622, 2885.9612)(609.3689, 666.2821)" C32 H50 N2 O9 FindByFormula + 606.3497 23.1419 C32 H50 N4 O4 " [ C32 H50 N4 O4, mfg=76.67, tgt=, overall=76.67 ]" "(553.3758, 2715.7998)(554.3783, 884.605)" C32 H50 N4 O4 FindByFormula - 554.3834 6.6265 C32 H50 N8 O3 S " [ C32 H50 N8 O3 S, mfg=89.04, tgt=, overall=89.04 ]" "(314.19736, 3100.5215)(314.69815, 949.45166)(315.19836, 837.7316)(627.3806, 2681.1418)(628.3819, 1038.905)(629.3916, 192.4)(649.3638, 3141.635)(650.3643, 1128.25)(651.36163, 307.3925)" C32 H50 N8 O3 S FindByFormula + 626.375 2.724 C32 H50 O7 S2 " [ C32 H50 O7 S2, mfg=94.32, tgt=, overall=94.32 ]" "(611.30707, 31340.545)(612.3091, 13642.915)(613.31006, 6461.9253)(614.3106, 1892.1044)(615.30566, 580.55)" C32 H50 O7 S2 FindByFormula + 610.2991 18.520615 C32 H51 N O6 " [ C32 H51 N O6, mfg=95.08, tgt=, overall=95.08 ]" "(546.3789, 90272.82)(547.3832, 27195.39)(548.38464, 5849.6353)(549.39417, 1132.265)" C32 H51 N O6 FindByFormula + 545.3759 17.307499 C32 H51 N5 O5 " [ C32 H51 N5 O5, mfg=89.57, tgt=, overall=89.57 ]" "(584.3823, 6674.5)(585.3839, 2439.17)(586.37683, 466.54498)" C32 H51 N5 O5 FindByFormula - 585.3905 6.722 C32 H52 N12 O7 " [ C32 H52 N12 O7, mfg=93.58, tgt=, overall=93.58 ]" "(715.4009, 3882.7898)(716.40106, 1562.2633)(717.4071, 490.49002)" C32 H52 N12 O7 FindByFormula - 716.4088 7.8623333 C32 H52 O2 S " [ C32 H52 O2 S, mfg=91.23, tgt=, overall=91.23 ]" "(501.37543, 4429.6807)(502.37738, 1346.0227)(503.37595, 393.4881)" C32 H52 O2 S FindByFormula + 500.3689 21.17225 C32 H52 S " [ C32 H52 S, mfg=88.08, tgt=, overall=88.08 ]" "(469.38712, 299.80997)(470.3816, 205.0)(491.36865, 2649.4182)(492.37213, 1144.1576)(493.3742, 321.525)" C32 H52 S FindByFormula + 468.3797 22.003002 C32 H53 N11 O3 " [ C32 H53 N11 O3, mfg=75.95, tgt=, overall=75.95 ]" "(638.4262, 1203.8247)(639.4285, 443.72598)" C32 H53 N11 O3 FindByFormula - 639.4349 7.3303347 C32 H53 N5 O2 S5 " [ C32 H53 N5 O2 S5, mfg=80.94, tgt=, overall=80.94 ]" "(700.28754, 2042.5232)(701.289, 905.6761)(702.28296, 703.92456)(738.2514, 715.67)(739.2562, 171.3)" C32 H53 N5 O2 S5 FindByFormula + 699.2815 14.790615 C32 H54 N16 O4 " [ C32 H54 N16 O4, mfg=72.63, tgt=, overall=72.63 ]" "(727.4586, 2409.5862)(728.4624, 991.69995)" C32 H54 N16 O4 FindByFormula + 726.4505 29.643875 C32 H54 N2 O5 S2 + 17.213465 " [ C32 H54 N2 O5 S2, mfg=95.77, tgt=, overall=47.88 ]" "(611.35474, 105798.28)(612.3577, 37981.336)(613.35626, 16101.6875)" C32 H54 N2 O5 S2 + 17.213465 FindByFormula + 610.3441 17.213465 C32 H56 N6 O9 " [ C32 H56 N6 O9, mfg=98.49, tgt=, overall=98.49 ]" "(669.4175, 11081.733)(670.4211, 4176.8574)(671.42303, 1120.397)" C32 H56 N6 O9 FindByFormula + 668.4097 15.81944 C32 H57 N O11 " [ C32 H57 N O11, mfg=96.76, tgt=, overall=96.76 ]" "(632.40094, 5276.6323)(633.4037, 2190.3752)(634.4029, 550.2262)(654.38214, 11458.37)(655.3861, 4143.648)(656.3856, 1184.6167)" C32 H57 N O11 FindByFormula + 631.3923 14.636222 C32 H57 N19 " [ C32 H57 N19, mfg=66.37, tgt=, overall=66.37 ]" "(708.51117, 3864.0)(709.5158, 1938.8534)" C32 H57 N19 FindByFormula + 707.5045 25.152666 C32 H59 N11 O5 " [ C32 H59 N11 O5, mfg=99.05, tgt=, overall=99.05 ]" "(1355.9379, 143.13)(678.47736, 32328.459)(679.48016, 12726.453)(680.48267, 3353.7546)(681.48175, 794.1693)" C32 H59 N11 O5 FindByFormula + 677.4692 17.012606 C32 H59 N11 O5 + 17.012224 " [ C32 H59 N11 O5, mfg=98.79, tgt=, overall=98.79 ]" "(678.47766, 30789.648)(679.48047, 11997.644)(680.4826, 3147.7551)" C32 H59 N11 O5 + 17.012224 FindByFormula + 677.4714 17.012224 C32 H61 N7 O " [ C32 H61 N7 O, mfg=64.26, tgt=, overall=32.13 ]" "(560.5028, 1725.5339)(561.50165, 774.448)" C32 H61 N7 O FindByFormula + 559.4916 24.61 C32 H62 N4 O10 " [ C32 H62 N4 O10, mfg=93.93, tgt=, overall=93.93 ]" "(663.454, 1342.51)(664.4563, 506.53598)(665.4596, 188.894)(685.43744, 712.76)(686.44116, 459.115)" C32 H62 N4 O10 FindByFormula + 662.4463 24.798601 C32 H62 N4 O2 S2 " [ C32 H62 N4 O2 S2, mfg=79.30, tgt=, overall=79.30 ]" "(599.4386, 104029.266)(600.44196, 33034.04)(601.4438, 25048.4)(602.4448, 5436.505)" C32 H62 N4 O2 S2 FindByFormula + 598.4316 14.794687 C32 H64 N2 O S4 " [ C32 H64 N2 O S4, mfg=85.73, tgt=, overall=85.73 ]" "(621.399, 2876.19)(622.40094, 1057.37)(623.3962, 827.025)" C32 H64 N2 O S4 FindByFormula + 620.3911 20.659 C32 H64 N4 O " [ C32 H64 N4 O, mfg=38.86, tgt=, overall=38.86 ]" "(521.5107, 2385.9702)(522.5144, 518.6737)" C32 H64 N4 O FindByFormula + 520.5046 24.241875 C32 H66 N2 O12 " [ C32 H66 N2 O12, mfg=98.69, tgt=, overall=98.69 ]" "(669.45483, 8199.8955)(670.4575, 3044.05)(671.4607, 691.80005)" C32 H66 N2 O12 FindByFormula - 670.4613 11.5385 C32 H69 N15 O4 " [ C32 H69 N15 O4, mfg=54.98, tgt=, overall=27.49 ]" "(728.5701, 5427.777)(729.5737, 1276.12)" C32 H69 N15 O4 FindByFormula + 727.5644 26.964333 C33 H10 N6 O4 " [ C33 H10 N6 O4, mfg=67.08, tgt=, overall=67.08 ]" "(555.08594, 1198.73)(556.0853, 437.02)" C33 H10 N6 O4 FindByFormula + 554.079 13.2215 C33 H11 Cl N8 " [ C33 H11 Cl N8, mfg=73.75, tgt=, overall=73.75 ]" "(555.0847, 2460.0647)(556.08795, 845.6)(557.0937, 918.63)" C33 H11 Cl N8 FindByFormula + 554.0774 11.838881 C33 H17 N13 O3 S2 " [ C33 H17 N13 O3 S2, mfg=89.01, tgt=, overall=89.01 ]" "(1415.202, 399.57)(1453.1625, 326.84)(1454.1636, 177.52)(1437.1862, 345.25)(708.1103, 2344.0767)(709.1131, 954.12994)(710.10455, 401.44998)" C33 H17 N13 O3 S2 FindByFormula + 707.1031 1.9879999 C33 H20 N10 S3 " [ C33 H20 N10 S3, mfg=83.90, tgt=, overall=83.90 ]" "(653.1103, 3604.33)(654.1089, 945.77)(655.1046, 1031.95)(675.09454, 3944.025)(676.0895, 1527.0651)(677.0938, 819.82)" C33 H20 N10 S3 FindByFormula + 652.1022 1.1645 C33 H26 N14 O6 " [ C33 H26 N14 O6, mfg=63.13, tgt=, overall=31.57 ]" "(715.22186, 2904.4133)(716.2322, 1156.3033)" C33 H26 N14 O6 FindByFormula + 714.215 7.2223334 C33 H29 N11 " [ C33 H29 N11, mfg=75.46, tgt=, overall=75.46 ]" "(578.254, 1468.5449)(579.2563, 597.725)" C33 H29 N11 FindByFormula - 579.262 7.12 C33 H29 N9 O3 " [ C33 H29 N9 O3, mfg=66.91, tgt=, overall=66.91 ]" "(600.2488, 1463.8267)(601.2481, 594.12994)" C33 H29 N9 O3 FindByFormula + 599.2432 11.887333 C33 H30 N20 O " [ C33 H30 N20 O, mfg=71.44, tgt=, overall=71.44 ]" "(721.28345, 986.22504)(722.2861, 456.025)" C33 H30 N20 O FindByFormula - 722.2906 22.399 C33 H31 N3 " [ C33 H31 N3, mfg=72.63, tgt=, overall=72.63 ]" "(235.63367, 1343.8334)(236.136, 550.62665)(470.2588, 144.16)" C33 H31 N3 FindByFormula + 469.2568 13.924 C33 H33 N3 O " [ C33 H33 N3 O, mfg=64.98, tgt=, overall=64.98 ]" "(244.6395, 4279.78)(245.14246, 1737.24)(488.2691, 2101.5)" C33 H33 N3 O FindByFormula + 487.2647 9.578501 C33 H33 N3 O + 11.5818 " [ C33 H33 N3 O, mfg=87.44, tgt=, overall=87.44 ]" "(1013.4971, 128.65)(488.26935, 2281.02)(489.27374, 885.51794)(490.2686, 239.20999)" C33 H33 N3 O + 11.5818 FindByFormula + 487.2626 11.5818 C33 H34 N10 O2 " [ C33 H34 N10 O2, mfg=69.02, tgt=, overall=69.02 ]" "(603.2923, 857.095)(604.29724, 372.92502)" C33 H34 N10 O2 FindByFormula + 602.2848 15.373501 C33 H35 Cl N4 O6 " [ C33 H35 Cl N4 O6, mfg=60.16, tgt=, overall=60.16 ]" "(619.2356, 1399.1066)(620.23505, 777.24335)(621.2233, 703.34)" C33 H35 Cl N4 O6 FindByFormula + 618.2244 13.637333 C33 H35 N3 O2 S " [ C33 H35 N3 O2 S, mfg=91.67, tgt=, overall=91.67 ]" "(538.2518, 11019.73)(539.25775, 3784.385)(540.25574, 1336.65)" C33 H35 N3 O2 S FindByFormula + 537.244 10.979 C33 H35 N3 O2 S + 11.137 " [ C33 H35 N3 O2 S, mfg=96.56, tgt=, overall=96.56 ]" "(538.2517, 6130.35)(539.25574, 2096.6099)(540.25366, 700.07)" C33 H35 N3 O2 S + 11.137 FindByFormula + 537.2447 11.137 C33 H36 N12 O8 " [ C33 H36 N12 O8, mfg=70.78, tgt=, overall=70.78 ]" "(1495.5249, 350.33)(729.2855, 9882.575)(730.28784, 4278.0103)(751.2712, 5440.34)(752.2762, 2505.26)" C33 H36 N12 O8 FindByFormula + 728.2845 9.0505 C33 H36 N2 O3 " [ C33 H36 N2 O3, mfg=77.32, tgt=, overall=77.32 ]" "(509.28256, 2634.9333)(510.28146, 814.38007)(511.2736, 304.44998)(547.23663, 758.22675)(531.2619, 6483.37)(532.26483, 2114.33)" C33 H36 N2 O3 FindByFormula + 508.2748 22.391 C33 H36 N4 O7 " [ C33 H36 N4 O7, mfg=92.02, tgt=, overall=92.02 ]" "(601.2643, 2862.33)(602.26935, 1205.66)(603.26874, 336.475)(623.2478, 1291.5349)(624.251, 758.92)" C33 H36 N4 O7 FindByFormula + 600.2599 10.9995 C33 H37 N11 " [ C33 H37 N11, mfg=95.47, tgt=, overall=95.47 ]" "(1175.6707, 273.32)(1176.6863, 126.01)(588.33215, 8326.536)(589.3334, 3329.855)(590.33575, 747.4471)(591.3515, 356.435)" C33 H37 N11 FindByFormula + 587.324 19.015951 C33 H37 N5 O5 S3 " [ C33 H37 N5 O5 S3, mfg=73.50, tgt=, overall=73.50 ]" "(680.2059, 3595.4773)(681.2016, 1395.2692)(682.1913, 787.63)(702.1867, 106.09)" C33 H37 N5 O5 S3 FindByFormula + 679.1986 15.187546 C33 H37 N5 O7 " [ C33 H37 N5 O7, mfg=73.19, tgt=, overall=73.19 ]" "(614.26166, 2071.26)(615.2663, 677.2425)" C33 H37 N5 O7 FindByFormula - 615.2679 15.04175 C33 H38 N10 O5 " [ C33 H38 N10 O5, mfg=70.76, tgt=, overall=70.76 ]" "(653.29517, 2035.6951)(654.29974, 865.9)" C33 H38 N10 O5 FindByFormula - 654.3073 21.925499 C33 H38 N10 O5 - 22.008999 " [ C33 H38 N10 O5, mfg=97.86, tgt=, overall=97.86 ]" "(653.29553, 2141.4)(654.2997, 851.565)(655.3019, 184.48001)" C33 H38 N10 O5 - 22.008999 FindByFormula - 654.3017 22.008999 C33 H38 N12 S " [ C33 H38 N12 S, mfg=90.78, tgt=, overall=90.78 ]" "(318.1599, 2958.21)(318.6618, 1282.56)(319.1633, 173.3)(635.31244, 11560.489)(636.31476, 4681.33)(637.3225, 1636.56)(638.3116, 313.75)(657.2955, 4889.53)(658.2997, 1740.07)(659.295, 348.67)" C33 H38 N12 S FindByFormula + 634.3066 12.025666 C33 H39 Cl N2 " [ C33 H39 Cl N2, mfg=74.61, tgt=, overall=74.61 ]" "(497.2766, 835.44336)(498.27988, 282.80002)(499.25842, 285.93665)" C33 H39 Cl N2 FindByFormula - 498.2839 7.0003333 C33 H39 N15 O3 " [ C33 H39 N15 O3, mfg=72.06, tgt=, overall=72.06 ]" "(692.3297, 606.69)(693.33093, 255.795)" C33 H39 N15 O3 FindByFormula - 693.3359 7.3780003 C33 H39 N7 O3 " [ C33 H39 N7 O3, mfg=61.14, tgt=, overall=61.14 ]" "(582.3217, 4746.2017)(583.31915, 2064.7285)(604.3046, 3304.7434)(605.3038, 1437.8267)" C33 H39 N7 O3 FindByFormula + 581.3149 1.113 C33 H39 N9 O S " [ C33 H39 N9 O S, mfg=94.80, tgt=, overall=94.80 ]" "(610.30774, 7178.977)(611.30945, 2480.0366)(612.3092, 880.6607)" C33 H39 N9 O S FindByFormula + 609.3027 14.018501 C33 H39 N9 O S + 14.056572 " [ C33 H39 N9 O S, mfg=93.20, tgt=, overall=93.20 ]" "(610.308, 7146.0557)(611.3101, 2433.86)(612.31134, 899.39355)" C33 H39 N9 O S + 14.056572 FindByFormula + 609.3033 14.056572 C33 H40 N14 O " [ C33 H40 N14 O, mfg=74.80, tgt=, overall=74.80 ]" "(647.34357, 2004.5067)(648.346, 702.31)" C33 H40 N14 O FindByFormula - 648.3503 8.133 C33 H41 N9 O7 S2 " [ C33 H41 N9 O7 S2, mfg=89.72, tgt=, overall=89.72 ]" "(740.26465, 3829.9363)(741.26807, 1440.6799)(742.25995, 699.86505)" C33 H41 N9 O7 S2 FindByFormula + 739.2602 14.065375 C33 H41 N9 O7 S2 + 13.985251 " [ C33 H41 N9 O7 S2, mfg=88.49, tgt=, overall=88.49 ]" "(740.2642, 4345.1235)(741.2691, 1642.9862)(742.26013, 684.29755)" C33 H41 N9 O7 S2 + 13.985251 FindByFormula + 739.2577 13.985251 C33 H42 N10 O2 S " [ C33 H42 N10 O2 S, mfg=96.82, tgt=, overall=96.82 ]" "(643.3285, 7126.7188)(644.3319, 2787.359)(645.3303, 719.28125)" C33 H42 N10 O2 S FindByFormula + 642.322 25.754002 C33 H42 N4 O3 " [ C33 H42 N4 O3, mfg=75.42, tgt=, overall=75.42 ]" "(541.31775, 1261.1699)(542.3202, 454.7925)" C33 H42 N4 O3 FindByFormula - 542.3246 16.94725 C33 H42 N4 O7 " [ C33 H42 N4 O7, mfg=71.02, tgt=, overall=71.02 ]" "(607.3127, 5135.1245)(608.31744, 1891.5586)(609.3259, 2063.325)(645.2604, 154.45)(629.2941, 2194.126)(630.29926, 884.17596)" C33 H42 N4 O7 FindByFormula + 606.3061 10.282375 C33 H43 N3 O4 " [ C33 H43 N3 O4, mfg=76.99, tgt=, overall=76.99 ]" "(544.3181, 3750.06)(545.32135, 1312.625)" C33 H43 N3 O4 FindByFormula - 545.3266 8.504499 C33 H43 N5 O5 " [ C33 H43 N5 O5, mfg=89.23, tgt=, overall=89.23 ]" "(590.3286, 3061.7112)(591.32697, 1265.6365)(592.3239, 471.02127)(628.2896, 9188.051)(629.29364, 2859.6736)(630.2943, 760.5154)(631.2971, 174.63637)" C33 H43 N5 O5 FindByFormula + 589.3279 15.398875 C33 H43 N5 O5 + 15.392957 " [ C33 H43 N5 O5, mfg=88.12, tgt=, overall=88.12 ]" "(590.3283, 3267.9255)(591.32715, 1429.2556)(592.32336, 455.59705)(628.2896, 10154.383)(629.2934, 3213.9475)(630.2947, 833.53076)" C33 H43 N5 O5 + 15.392957 FindByFormula + 589.3261 15.392957 C33 H44 N12 O S " [ C33 H44 N12 O S, mfg=91.03, tgt=, overall=91.03 ]" "(657.35583, 24048.234)(658.3594, 10820.779)(659.3509, 3233.575)(660.34515, 980.52)(695.3259, 1071.44)" C33 H44 N12 O S FindByFormula + 656.3485 9.8085 C33 H44 S " [ C33 H44 S, mfg=94.63, tgt=, overall=47.31 ]" "(473.32364, 5299.61)(474.3257, 1983.42)(475.32822, 480.33667)" C33 H44 S FindByFormula + 472.3156 10.802667 C33 H45 N5 O8 " [ C33 H45 N5 O8, mfg=64.62, tgt=, overall=64.62 ]" "(640.33704, 3379.04)(641.3303, 1139.495)(662.3275, 1421.65)(663.3318, 129.43)" C33 H45 N5 O8 FindByFormula + 639.3277 7.171 C33 H46 N10 O S3 " [ C33 H46 N10 O S3, mfg=84.14, tgt=, overall=84.14 ]" "(695.309, 7125.19)(696.311, 2823.9768)(697.3151, 1751.7866)" C33 H46 N10 O S3 FindByFormula + 694.2999 8.877666 C33 H46 O S3 " [ C33 H46 O S3, mfg=86.40, tgt=, overall=86.40 ]" "(555.2798, 4708.56)(556.2822, 1631.26)(557.2776, 1180.22)" C33 H46 O S3 FindByFormula + 554.2697 7.295 C33 H46 O5 S " [ C33 H46 O5 S, mfg=93.58, tgt=, overall=93.58 ]" "(278.15845, 660.384)(278.66006, 151.26399)(555.3142, 7209.584)(556.31885, 2649.4883)(557.31354, 985.57916)(593.26733, 1632.085)(577.29486, 2605.037)(578.2965, 879.93427)(579.2904, 423.51)" C33 H46 O5 S FindByFormula + 554.3071 1.1615386 C33 H47 N3 O2 " [ C33 H47 N3 O2, mfg=81.95, tgt=, overall=81.95 ]" "(518.37305, 1932.7875)(519.376, 865.015)(520.3762, 299.95502)" C33 H47 N3 O2 FindByFormula + 517.368 24.51025 C33 H48 O8 S " [ C33 H48 O8 S, mfg=82.99, tgt=, overall=82.99 ]" "(605.31476, 1920.105)(606.3117, 693.26)(607.3225, 231.18)" C33 H48 O8 S FindByFormula + 604.3058 26.3205 C33 H49 N3 S " [ C33 H49 N3 S, mfg=74.06, tgt=, overall=74.06 ]" "(520.37463, 4921.557)(521.3709, 2305.0466)(522.3703, 632.54)(542.3589, 3471.275)(543.3521, 1312.99)" C33 H49 N3 S FindByFormula + 519.3661 20.9085 C33 H5 Cl2 N5 O2 S5 " [ C33 H5 Cl2 N5 O2 S5, mfg=47.62, tgt=, overall=47.62 ]" "(1464.6793, 1416.83)(1465.6835, 1066.31)(731.83514, 1103.84)" C33 H5 Cl2 N5 O2 S5 FindByFormula - 732.8429 7.2759995 C33 H5 N O17 " [ C33 H5 N O17, mfg=63.89, tgt=, overall=63.89 ]" "(687.96216, 2019.04)(688.9625, 601.51)" C33 H5 N O17 FindByFormula + 686.9518 4.8030005 C33 H50 O11 S " [ C33 H50 O11 S, mfg=92.07, tgt=, overall=92.07 ]" "(653.29877, 4020.5117)(654.3015, 1428.9641)(655.305, 599.46)" C33 H50 O11 S FindByFormula - 654.3049 22.3602 C33 H51 N O12 S " [ C33 H51 N O12 S, mfg=91.53, tgt=, overall=91.53 ]" "(343.6624, 463.2)(344.1598, 209.14)(686.3205, 22355.719)(687.32336, 8173.4897)(688.32825, 3540.1584)(724.27136, 1794.2949)(725.26904, 567.375)(708.30206, 8705.554)(709.315, 3924.57)(710.29584, 1818.54)" C33 H51 N O12 S FindByFormula + 685.3143 6.9594283 C33 H51 N O12 S + 6.9586663 " [ C33 H51 N O12 S, mfg=87.63, tgt=, overall=87.63 ]" "(686.31915, 14204.003)(687.32477, 5115.687)(688.32666, 2676.0598)(689.33795, 442.19)(724.2693, 1290.21)(725.2699, 483.27)(708.30176, 3211.86)(709.31494, 2057.425)(710.30505, 1252.575)" C33 H51 N O12 S + 6.9586663 FindByFormula + 685.3108 6.9586663 C33 H51 N19 S " [ C33 H51 N19 S, mfg=95.31, tgt=, overall=95.31 ]" "(373.72656, 2654.38)(374.2262, 1090.1538)(374.72702, 336.94614)(746.4379, 2627.8237)(747.43884, 1110.9036)(748.43726, 381.24997)(768.4224, 3448.6953)(769.421, 1489.9207)(770.4229, 581.19635)(771.4254, 173.42749)" C33 H51 N19 S FindByFormula + 745.4333 4.3427143 C33 H51 N3 O4 S2 " [ C33 H51 N3 O4 S2, mfg=76.59, tgt=, overall=76.59 ]" "(618.34174, 3836.8198)(619.3386, 1519.675)(620.3297, 606.27)" C33 H51 N3 O4 S2 FindByFormula + 617.3346 7.606 C33 H53 N3 S2 " [ C33 H53 N3 S2, mfg=80.14, tgt=, overall=80.14 ]" "(556.3751, 949.17)(557.3745, 387.055)(558.3849, 165.28)" C33 H53 N3 S2 FindByFormula + 555.3652 1.0469999 C33 H54 N12 O4 " [ C33 H54 N12 O4, mfg=73.43, tgt=, overall=73.43 ]" "(683.4457, 8005.47)(684.4381, 2950.87)(705.4279, 24301.07)(706.4296, 9062.52)" C33 H54 N12 O4 FindByFormula + 682.4401 7.2045 C33 H56 N16 O4 " [ C33 H56 N16 O4, mfg=95.71, tgt=, overall=95.71 ]" "(741.4741, 10031.661)(742.4784, 4506.6865)(743.47644, 781.5799)(744.4768, 162.59001)" C33 H56 N16 O4 FindByFormula + 740.468 17.74521 C33 H56 N16 O4 + 17.727802 " [ C33 H56 N16 O4, mfg=97.13, tgt=, overall=97.13 ]" "(741.4741, 14723.529)(742.47784, 6052.378)(743.4767, 1494.3525)(744.4725, 432.8867)" C33 H56 N16 O4 + 17.727802 FindByFormula + 740.4682 17.727802 C33 H56 N2 O14 " [ C33 H56 N2 O14, mfg=95.25, tgt=, overall=95.25 ]" "(703.36615, 2121.4133)(704.3708, 750.49506)(705.37274, 261.71667)" C33 H56 N2 O14 FindByFormula - 704.3778 7.4386673 C33 H58 N2 O3 S " [ C33 H58 N2 O3 S, mfg=96.63, tgt=, overall=96.63 ]" "(563.42395, 7945.7437)(564.42676, 2689.226)(565.42755, 911.54004)(585.40845, 1740.4615)(586.4098, 626.94165)(587.4114, 408.96335)" C33 H58 N2 O3 S FindByFormula + 562.4122 22.396145 C33 H64 N16 O3 " [ C33 H64 N16 O3, mfg=96.13, tgt=, overall=96.13 ]" "(733.5423, 13622.658)(734.54675, 5552.341)(735.5456, 1394.6061)(736.53687, 1152.9567)" C33 H64 N16 O3 FindByFormula + 732.5345 25.890114 C33 H65 N3 O8 S " [ C33 H65 N3 O8 S, mfg=89.77, tgt=, overall=44.89 ]" "(664.45685, 2840.6682)(665.4614, 924.3833)(666.463, 365.06)" C33 H65 N3 O8 S FindByFormula + 663.4495 24.992666 C33 H66 N2 O8 S2 " [ C33 H66 N2 O8 S2, mfg=86.95, tgt=, overall=86.95 ]" "(683.4327, 2075.2424)(684.4348, 796.2851)(685.4365, 507.755)" C33 H66 N2 O8 S2 FindByFormula + 682.4241 29.7895 C33 H66 N6 O10 " [ C33 H66 N6 O10, mfg=98.24, tgt=, overall=98.24 ]" "(707.4908, 2858.4167)(708.49457, 1184.5776)(709.4954, 327.28552)(710.49805, 66.07)" C33 H66 N6 O10 FindByFormula + 706.4819 19.102888 C33 H66 N6 O10 + 19.124111 " [ C33 H66 N6 O10, mfg=98.41, tgt=, overall=98.41 ]" "(707.49146, 3749.381)(708.4948, 1473.8566)(709.4958, 406.37555)(710.4969, 365.55)" C33 H66 N6 O10 + 19.124111 FindByFormula + 706.4837 19.124111 C33 H68 N2 O15 " [ C33 H68 N2 O15, mfg=90.54, tgt=, overall=90.54 ]" "(733.4694, 2931.9077)(734.47266, 1141.024)(735.4757, 514.60394)" C33 H68 N2 O15 FindByFormula + 732.464 13.0332 C33 H69 N15 " [ C33 H69 N15, mfg=63.95, tgt=, overall=63.95 ]" "(676.5939, 2023.35)(677.5969, 502.67502)" C33 H69 N15 FindByFormula + 675.5896 6.9084997 C34 H11 N " [ C34 H11 N, mfg=67.36, tgt=, overall=67.36 ]" "(434.0972, 1526.94)(435.10355, 537.725)" C34 H11 N FindByFormula + 433.0922 1.9655 C34 H20 O3 " [ C34 H20 O3, mfg=82.86, tgt=, overall=82.86 ]" "(477.14685, 924.085)(478.15372, 356.70248)(479.1427, 25.5)" C34 H20 O3 FindByFormula + 476.1427 11.8255005 C34 H22 O19 " [ C34 H22 O19, mfg=65.90, tgt=, overall=65.90 ]" "(735.08276, 2718.82)(736.0888, 801.07)(757.0658, 1148.23)" C34 H22 O19 FindByFormula + 734.0707 6.7574997 C34 H24 N2 O3 " [ C34 H24 N2 O3, mfg=72.92, tgt=, overall=72.92 ]" "(509.18686, 1608.342)(510.18793, 615.17596)" C34 H24 N2 O3 FindByFormula + 508.1795 20.1404 C34 H24 N4 O15 " [ C34 H24 N4 O15, mfg=56.39, tgt=, overall=56.39 ]" "(729.1333, 1042.21)(730.1282, 490.8)(751.1207, 1094.48)(752.1128, 306.125)" C34 H24 N4 O15 FindByFormula + 728.1273 20.487999 C34 H25 N19 O3 " [ C34 H25 N19 O3, mfg=67.90, tgt=, overall=67.90 ]" "(746.23175, 2121.11)(747.23193, 710.29004)" C34 H25 N19 O3 FindByFormula - 747.2388 16.787666 C34 H29 N3 O " [ C34 H29 N3 O, mfg=63.57, tgt=, overall=63.57 ]" "(496.23944, 1712.925)(497.23816, 771.225)" C34 H29 N3 O FindByFormula + 495.2331 13.620501 C34 H29 N9 " [ C34 H29 N9, mfg=74.45, tgt=, overall=74.45 ]" "(564.26215, 1704.52)(565.2654, 721.735)(586.2454, 135.02)" C34 H29 N9 FindByFormula + 563.2523 26.9445 C34 H32 N2 O12 S2 " [ C34 H32 N2 O12 S2, mfg=74.10, tgt=, overall=74.10 ]" "(725.1448, 2145.185)(726.15063, 836.125)(727.15936, 579.725)" C34 H32 N2 O12 S2 FindByFormula + 724.1369 16.7485 C34 H34 N14 O " [ C34 H34 N14 O, mfg=72.78, tgt=, overall=72.78 ]" "(653.2976, 737.94995)(654.30096, 291.89502)" C34 H34 N14 O FindByFormula - 654.3103 21.050999 C34 H36 N4 O4 " [ C34 H36 N4 O4, mfg=96.18, tgt=, overall=96.18 ]" "(565.28174, 6643.14)(566.286, 2400.065)(567.2873, 529.53)(587.2566, 218.54)" C34 H36 N4 O4 FindByFormula + 564.2709 20.045 C34 H37 N3 O5 " [ C34 H37 N3 O5, mfg=51.08, tgt=, overall=51.08 ]" "(568.2775, 2121.895)(569.28564, 1222.22)" C34 H37 N3 O5 FindByFormula + 567.2707 8.489 C34 H37 N7 O8 " [ C34 H37 N7 O8, mfg=70.62, tgt=, overall=70.62 ]" "(672.27765, 2775.42)(673.28253, 1099.5375)" C34 H37 N7 O8 FindByFormula + 671.2692 13.75025 C34 H38 N2 O4 S3 " [ C34 H38 N2 O4 S3, mfg=83.88, tgt=, overall=83.88 ]" "(1291.3687, 285.2)(635.2072, 1830.0233)(636.2066, 738.0467)(637.2102, 445.23)" C34 H38 N2 O4 S3 FindByFormula + 634.2004 12.361667 C34 H40 O4 " [ C34 H40 O4, mfg=88.63, tgt=, overall=88.63 ]" "(257.1567, 524.55)(257.6574, 239.26)(513.3009, 6617.7354)(514.30554, 2302.8398)(515.2961, 381.08)" C34 H40 O4 FindByFormula + 512.2909 9.914 C34 H40 O4 + 7.5065002 " [ C34 H40 O4, mfg=67.25, tgt=, overall=67.25 ]" "(1025.5905, 2027.54)(1047.5793, 1761.26)(1048.5793, 1565.61)(513.3033, 1354.09)(514.2944, 492.1)" C34 H40 O4 + 7.5065002 FindByFormula + 512.2981 7.5065002 C34 H42 N10 " [ C34 H42 N10, mfg=58.82, tgt=, overall=58.82 ]" "(1181.7357, 4119.87)(1182.7351, 3122.6)(591.3662, 1851.72)(592.3724, 1012.48)" C34 H42 N10 FindByFormula + 590.3602 7.017 C34 H42 N12 O3 S2 " [ C34 H42 N12 O3 S2, mfg=90.15, tgt=, overall=90.15 ]" "(731.2998, 60072.625)(732.3034, 23966.41)(733.30945, 10935.145)(734.3147, 3262.5498)(735.309, 898.38)(753.28125, 14601.86)(754.2862, 6084.195)(755.2921, 3127.9648)" C34 H42 N12 O3 S2 FindByFormula + 730.2891 9.1205 C34 H44 N16 O2 " [ C34 H44 N16 O2, mfg=93.92, tgt=, overall=93.92 ]" "(707.37476, 1101.84)(708.3776, 477.69498)(709.3855, 89.63)" C34 H44 N16 O2 FindByFormula - 708.3746 7.5713334 C34 H44 O2 S " [ C34 H44 O2 S, mfg=89.38, tgt=, overall=89.38 ]" "(515.29865, 1070.61)(516.30035, 458.81)(517.29956, 181.1)" C34 H44 O2 S FindByFormula - 516.3069 13.717 C34 H45 N O12 S " [ C34 H45 N O12 S, mfg=91.61, tgt=, overall=91.61 ]" "(692.2735, 2100.7517)(693.27924, 700.6516)(694.2768, 304.14835)" C34 H45 N O12 S FindByFormula + 691.2697 17.2715 C34 H45 N3 O2 " [ C34 H45 N3 O2, mfg=66.88, tgt=, overall=66.88 ]" "(526.3462, 2578.1733)(527.3465, 1028.6633)" C34 H45 N3 O2 FindByFormula - 527.3512 15.380333 C34 H45 N5 O4 " [ C34 H45 N5 O4, mfg=74.84, tgt=, overall=74.84 ]" "(586.3403, 1934.615)(587.34235, 677.105)" C34 H45 N5 O4 FindByFormula - 587.3479 12.354 C34 H45 N7 O4 S " [ C34 H45 N7 O4 S, mfg=84.45, tgt=, overall=84.45 ]" "(1295.649, 421.44)(648.33185, 8601.301)(649.33856, 3315.5566)(650.3282, 832.7933)(670.31726, 3131.94)(671.3131, 1093.4)(672.32495, 518.845)" C34 H45 N7 O4 S FindByFormula + 647.329 10.213334 C34 H46 N6 O12 " [ C34 H46 N6 O12, mfg=99.54, tgt=, overall=99.54 ]" "(729.30994, 13685.681)(730.3129, 5580.692)(731.3157, 1589.4146)(732.3158, 343.82635)" C34 H46 N6 O12 FindByFormula - 730.3196 10.105693 C34 H47 N3 S3 " [ C34 H47 N3 S3, mfg=79.61, tgt=, overall=79.61 ]" "(594.3019, 1991.735)(595.3053, 891.645)(596.29034, 537.96)" C34 H47 N3 S3 FindByFormula + 593.2956 1.1225 C34 H47 N5 O5 S " [ C34 H47 N5 O5 S, mfg=92.17, tgt=, overall=92.17 ]" "(638.33765, 16013.706)(639.3378, 6540.7246)(640.3381, 1589.8298)(641.3495, 396.36102)" C34 H47 N5 O5 S FindByFormula + 637.329 24.19275 C34 H48 N12 S " [ C34 H48 N12 S, mfg=94.48, tgt=, overall=94.48 ]" "(657.3928, 8402.075)(658.39636, 3713.585)(659.3935, 1069.425)" C34 H48 N12 S FindByFormula + 656.3856 10.7775 C34 H48 N8 " [ C34 H48 N8, mfg=72.73, tgt=, overall=72.73 ]" "(567.39355, 974.315)(568.3938, 359.695)" C34 H48 N8 FindByFormula - 568.4002 7.1730003 C34 H48 O2 S " [ C34 H48 O2 S, mfg=90.75, tgt=, overall=90.75 ]" "(521.3446, 14364.862)(522.34863, 4497.348)(523.34973, 1834.3909)(524.3655, 751.47253)" C34 H48 O2 S FindByFormula + 520.3369 18.65474 C34 H49 N15 S " [ C34 H49 N15 S, mfg=90.32, tgt=, overall=90.32 ]" "(700.41064, 27320.307)(701.4094, 12044.582)(702.41016, 3426.642)" C34 H49 N15 S FindByFormula + 699.4038 17.00871 C34 H49 N15 S + 17.007368 " [ C34 H49 N15 S, mfg=90.85, tgt=, overall=90.85 ]" "(700.4104, 27254.807)(701.4092, 11988.879)(702.4101, 3423.1516)" C34 H49 N15 S + 17.007368 FindByFormula + 699.4035 17.007368 C34 H50 N10 O3 " [ C34 H50 N10 O3, mfg=85.94, tgt=, overall=85.94 ]" "(647.4129, 4698.643)(648.4172, 2216.89)(649.42755, 493.695)(669.39984, 4161.3564)(670.3981, 1898.4899)(671.4037, 472.55667)" C34 H50 N10 O3 FindByFormula + 646.4081 19.496332 C34 H50 N14 O3 " [ C34 H50 N14 O3, mfg=70.72, tgt=, overall=70.72 ]" "(701.411, 2895.205)(702.41626, 1124.255)" C34 H50 N14 O3 FindByFormula - 702.4196 6.94 C34 H52 N20 " [ C34 H52 N20, mfg=94.95, tgt=, overall=94.95 ]" "(741.47546, 10322.953)(742.4795, 4715.6475)(743.4762, 1186.6185)(744.4773, 269.875)" C34 H52 N20 FindByFormula + 740.4674 17.7515 C34 H54 O S4 " [ C34 H54 O S4, mfg=79.01, tgt=, overall=79.01 ]" "(607.3127, 4289.78)(608.3162, 1785.6619)(609.31946, 1232.395)(645.2691, 211.33)(629.293, 1803.2201)(630.29584, 991.8433)" C34 H54 O S4 FindByFormula + 606.3055 10.2544 C34 H54 O10 S " [ C34 H54 O10 S, mfg=89.03, tgt=, overall=89.03 ]" "(653.3368, 4689.9)(654.3404, 1731.56)(655.3418, 937.36)" C34 H54 O10 S FindByFormula - 654.3467 7.3315 C34 H56 N12 O4 " [ C34 H56 N12 O4, mfg=70.16, tgt=, overall=70.16 ]" "(695.44794, 1849.3932)(696.4484, 788.39996)" C34 H56 N12 O4 FindByFormula - 696.4555 8.083333 C34 H56 O11 S " [ C34 H56 O11 S, mfg=92.79, tgt=, overall=92.79 ]" "(673.3626, 2987.2168)(674.36615, 1002.7166)(675.3664, 451.51663)" C34 H56 O11 S FindByFormula + 672.3548 22.057669 C34 H58 N2 O6 S2 " [ C34 H58 N2 O6 S2, mfg=99.48, tgt=, overall=49.74 ]" "(655.3811, 88966.96)(656.38403, 33889.99)(657.38245, 14697.344)(658.3832, 3970.8164)(659.3812, 1006.44)" C34 H58 N2 O6 S2 FindByFormula + 654.3737 17.113668 C34 H58 N6 O2 S2 " [ C34 H58 N6 O2 S2, mfg=93.13, tgt=, overall=93.13 ]" "(647.4108, 79.16)(669.39636, 1946.9779)(670.4001, 772.216)(671.39575, 371.298)" C34 H58 N6 O2 S2 FindByFormula + 646.4045 18.3526 C34 H59 N11 O4 " [ C34 H59 N11 O4, mfg=72.68, tgt=, overall=72.68 ]" "(684.4679, 1313.865)(685.4695, 536.585)" C34 H59 N11 O4 FindByFormula - 685.4729 7.6395 C34 H60 N14 O5 " [ C34 H60 N14 O5, mfg=63.69, tgt=, overall=63.69 ]" "(745.49304, 1821.3049)(746.4999, 859.59)" C34 H60 N14 O5 FindByFormula + 744.4873 23.330502 C34 H60 N6 O9 " [ C34 H60 N6 O9, mfg=96.95, tgt=, overall=96.95 ]" "(697.4493, 12392.217)(698.4529, 4761.4497)(699.45184, 1178.64)(700.4506, 549.45)" C34 H60 N6 O9 FindByFormula + 696.4415 18.24925 C34 H60 N6 O9 + 17.83923 " [ C34 H60 N6 O9, mfg=96.59, tgt=, overall=96.59 ]" "(697.4492, 10047.145)(698.4522, 4067.926)(699.4512, 791.22076)(700.4538, 293.6)" C34 H60 N6 O9 + 17.83923 FindByFormula + 696.4426 17.83923 C34 H60 N6 O9 + 17.856167 " [ C34 H60 N6 O9, mfg=98.21, tgt=, overall=98.21 ]" "(697.4497, 10450.582)(698.4528, 4268.821)(699.4526, 949.54083)(700.4502, 229.31252)" C34 H60 N6 O9 + 17.856167 FindByFormula + 696.4428 17.856167 C34 H61 N9 O5 S2 " [ C34 H61 N9 O5 S2, mfg=84.52, tgt=, overall=84.52 ]" "(738.4187, 1983.835)(739.4204, 777.78503)(740.40814, 379.365)" C34 H61 N9 O5 S2 FindByFormula - 739.4258 7.5179996 C34 H62 N12 O5 S " [ C34 H62 N12 O5 S, mfg=94.02, tgt=, overall=94.02 ]" "(749.4613, 19677.477)(750.4647, 8368.74)(751.4629, 1971.145)(752.4705, 886.24)" C34 H62 N12 O5 S FindByFormula - 750.4701 8.73 C34 H65 N O2 " [ C34 H65 N O2, mfg=71.36, tgt=, overall=71.36 ]" "(520.50903, 3938.53)(521.5105, 1503.405)(522.51666, 1047.73)" C34 H65 N O2 FindByFormula + 519.5005 23.329 C34 H65 N O2 + 19.746925 " [ C34 H65 N O2, mfg=66.99, tgt=, overall=66.99 ]" "(520.5078, 3549.4216)(521.51044, 1508.2806)(522.5191, 1087.62)" C34 H65 N O2 + 19.746925 FindByFormula + 519.5013 19.746925 C34 H65 N O2 + 20.1555 " [ C34 H65 N O2, mfg=72.52, tgt=, overall=72.52 ]" "(520.5073, 4595.4976)(521.51074, 1632.0778)(522.5175, 967.7055)" C34 H65 N O2 + 20.1555 FindByFormula + 519.4997 20.1555 C34 H65 N O2 + 20.219202 " [ C34 H65 N O2, mfg=91.74, tgt=, overall=91.74 ]" "(520.5072, 4034.5542)(521.51074, 1408.7981)(522.5186, 303.76)" C34 H65 N O2 + 20.219202 FindByFormula + 519.4998 20.219202 C34 H65 N O2 + 20.223572 " [ C34 H65 N O2, mfg=69.91, tgt=, overall=69.91 ]" "(520.50793, 4722.7065)(521.5108, 1668.9758)(522.51917, 1108.7139)" C34 H65 N O2 + 20.223572 FindByFormula + 519.5008 20.223572 C34 H65 N O2 + 20.541182 " [ C34 H65 N O2, mfg=70.98, tgt=, overall=70.98 ]" "(520.50757, 3519.6748)(521.5104, 1392.5608)(522.5177, 863.16003)" C34 H65 N O2 + 20.541182 FindByFormula + 519.4997 20.541182 C34 H65 N O2 + 20.569666 " [ C34 H65 N O2, mfg=66.51, tgt=, overall=66.51 ]" "(520.50726, 2495.0432)(521.51, 909.79663)(522.51965, 621.62)" C34 H65 N O2 + 20.569666 FindByFormula + 519.4996 20.569666 C34 H65 N O2 + 20.688747 " [ C34 H65 N O2, mfg=79.60, tgt=, overall=79.60 ]" "(520.50793, 3187.6387)(521.5106, 1288.1036)(522.5173, 610.84216)" C34 H65 N O2 + 20.688747 FindByFormula + 519.5011 20.688747 C34 H65 N O2 + 21.050692 " [ C34 H65 N O2, mfg=91.31, tgt=, overall=91.31 ]" "(520.50824, 3640.3843)(521.51086, 1557.0891)(522.518, 430.82333)" C34 H65 N O2 + 21.050692 FindByFormula + 519.5006 21.050692 C34 H65 N O2 + 21.134499 " [ C34 H65 N O2, mfg=70.39, tgt=, overall=70.39 ]" "(520.5086, 3474.69)(521.511, 1550.395)" C34 H65 N O2 + 21.134499 FindByFormula + 519.502 21.134499 C34 H65 N O2 + 21.2405 " [ C34 H65 N O2, mfg=74.26, tgt=, overall=74.26 ]" "(520.5084, 3916.145)(521.51013, 1380.435)" C34 H65 N O2 + 21.2405 FindByFormula + 519.5005 21.2405 C34 H65 N O2 + 24.150251 " [ C34 H65 N O2, mfg=95.19, tgt=, overall=95.19 ]" "(520.50775, 6307.2847)(521.5108, 2346.23)(522.51526, 647.7417)" C34 H65 N O2 + 24.150251 FindByFormula + 519.4999 24.150251 C34 H65 N O2 + 24.164001 " [ C34 H65 N O2, mfg=94.92, tgt=, overall=94.92 ]" "(520.50793, 6654.387)(521.5108, 2357.88)(522.5149, 651.14185)(523.5139, 108.65)" C34 H65 N O2 + 24.164001 FindByFormula + 519.4997 24.164001 C34 H65 N O2 + 24.1712 " [ C34 H65 N O2, mfg=97.74, tgt=, overall=97.74 ]" "(520.50836, 7787.056)(521.5112, 2832.108)(522.51434, 695.44904)(523.5047, 386.66)" C34 H65 N O2 + 24.1712 FindByFormula + 519.5007 24.1712 C34 H65 N O2 + 24.5095 " [ C34 H65 N O2, mfg=85.21, tgt=, overall=85.21 ]" "(520.50775, 6505.425)(521.5112, 3038.31)(522.51086, 782.85)" C34 H65 N O2 + 24.5095 FindByFormula + 519.4999 24.5095 C34 H65 N O2 + 24.587667 " [ C34 H65 N O2, mfg=93.98, tgt=, overall=93.98 ]" "(520.5088, 6096.06)(521.512, 2674.57)(522.51263, 614.9666)(523.5135, 94.375)" C34 H65 N O2 + 24.587667 FindByFormula + 519.5009 24.587667 C34 H65 N O2 + 25.5296 " [ C34 H65 N O2, mfg=79.92, tgt=, overall=79.92 ]" "(520.5079, 4746.854)(521.5105, 1799.9238)(522.5167, 842.07404)(523.5091, 206.4)" C34 H65 N O2 + 25.5296 FindByFormula + 519.5014 25.5296 C34 H65 N O2 + 25.5315 " [ C34 H65 N O2, mfg=82.26, tgt=, overall=82.26 ]" "(520.50793, 5595.1426)(521.5104, 2140.795)(522.51685, 959.9525)(523.5216, 331.89)" C34 H65 N O2 + 25.5315 FindByFormula + 519.4998 25.5315 C34 H65 N O2 + 27.016998 " [ C34 H65 N O2, mfg=80.45, tgt=, overall=80.45 ]" "(520.5078, 3285.0378)(521.5106, 1236.5421)(522.5177, 573.55286)" C34 H65 N O2 + 27.016998 FindByFormula + 519.502 27.016998 C34 H65 N O2 + 27.049252 " [ C34 H65 N O2, mfg=76.60, tgt=, overall=76.60 ]" "(520.50745, 4015.9026)(521.5111, 1535.2413)(522.51807, 773.77)" C34 H65 N O2 + 27.049252 FindByFormula + 519.5009 27.049252 C34 H65 N O2 + 27.6215 " [ C34 H65 N O2, mfg=72.87, tgt=, overall=72.87 ]" "(520.50757, 14544.355)(521.5121, 5146.87)(522.51855, 2941.83)" C34 H65 N O2 + 27.6215 FindByFormula + 519.5021 27.6215 C34 H66 N2 O14 " [ C34 H66 N2 O14, mfg=98.63, tgt=, overall=98.63 ]" "(727.4589, 2551.5115)(728.46173, 943.83)(729.4651, 273.77)" C34 H66 N2 O14 FindByFormula + 726.4536 29.75957 C34 H67 N17 O2 " [ C34 H67 N17 O2, mfg=70.08, tgt=, overall=70.08 ]" "(744.55884, 1710.8251)(745.56195, 816.7)" C34 H67 N17 O2 FindByFormula - 745.567 24.338 C34 H70 N14 O3 " [ C34 H70 N14 O3, mfg=64.32, tgt=, overall=64.32 ]" "(723.58386, 980.415)(724.5852, 527.055)" C34 H70 N14 O3 FindByFormula + 722.577 27.123001 C35 H12 N8 O7 " [ C35 H12 N8 O7, mfg=55.04, tgt=, overall=55.04 ]" "(657.09216, 3298.9897)(658.07965, 1333.505)(679.0787, 737.85)(680.062, 316.01)" C35 H12 N8 O7 FindByFormula + 656.0795 1.0534999 C35 H14 N2 O10 " [ C35 H14 N2 O10, mfg=71.70, tgt=, overall=71.70 ]" "(623.07153, 2509.8352)(624.0764, 918.722)" C35 H14 N2 O10 FindByFormula + 622.0652 11.842701 C35 H17 N5 O4 " [ C35 H17 N5 O4, mfg=74.13, tgt=, overall=74.13 ]" "(572.1354, 7598.2197)(573.13855, 3092.495)(594.1244, 1338.095)" C35 H17 N5 O4 FindByFormula + 571.1228 1.951 C35 H20 N10 O7 " [ C35 H20 N10 O7, mfg=71.51, tgt=, overall=71.51 ]" "(693.159, 1049.2174)(694.162, 446.56754)" C35 H20 N10 O7 FindByFormula + 692.1506 25.991499 C35 H24 N2 O5 " [ C35 H24 N2 O5, mfg=68.04, tgt=, overall=68.04 ]" "(553.17523, 1066.9767)(554.18256, 387.95334)" C35 H24 N2 O5 FindByFormula + 552.165 20.516665 C35 H24 N6 " [ C35 H24 N6, mfg=65.75, tgt=, overall=65.75 ]" "(529.2118, 794.275)(530.21735, 371.135)" C35 H24 N6 FindByFormula + 528.2024 24.1555 C35 H26 N14 O3 " [ C35 H26 N14 O3, mfg=62.35, tgt=, overall=62.35 ]" "(691.2385, 696.68005)(692.23926, 386.675)" C35 H26 N14 O3 FindByFormula + 690.2302 21.547 C35 H26 N20 " [ C35 H26 N20, mfg=82.98, tgt=, overall=82.98 ]" "(727.2737, 8497.991)(728.27075, 3704.1836)(729.2697, 742.4849)(730.2586, 182.5625)" C35 H26 N20 FindByFormula + 726.2652 21.051455 C35 H31 N O4 " [ C35 H31 N O4, mfg=69.32, tgt=, overall=69.32 ]" "(530.23224, 4362.263)(531.23755, 1899.2733)" C35 H31 N O4 FindByFormula + 529.2249 13.348332 C35 H33 N5 O " [ C35 H33 N5 O, mfg=55.45, tgt=, overall=55.45 ]" "(540.2807, 3116.6165)(541.27203, 1616.7032)" C35 H33 N5 O FindByFormula + 539.2692 7.6533337 C35 H34 O2 " [ C35 H34 O2, mfg=75.92, tgt=, overall=75.92 ]" "(487.2634, 1315.86)(488.2657, 495.60498)" C35 H34 O2 FindByFormula + 486.2563 0.7415 C35 H36 O11 S2 " [ C35 H36 O11 S2, mfg=89.97, tgt=, overall=89.97 ]" "(1393.3346, 326.17667)(697.1775, 2825.6133)(698.18164, 1011.30554)(699.18054, 611.195)(719.1607, 335.17)" C35 H36 O11 S2 FindByFormula + 696.172 13.620556 C35 H37 N3 O7 " [ C35 H37 N3 O7, mfg=87.21, tgt=, overall=87.21 ]" "(612.2707, 7556.3223)(613.27625, 2585.6526)(614.2781, 976.04004)(650.2185, 1015.49)(634.2511, 979.22)(635.2709, 87.22)(636.263, 110.03)" C35 H37 N3 O7 FindByFormula + 611.2621 8.5825 C35 H37 N3 O9 " [ C35 H37 N3 O9, mfg=88.49, tgt=, overall=88.49 ]" "(322.63336, 2401.7998)(323.13736, 939.756)(323.63556, 354.62997)" C35 H37 N3 O9 FindByFormula + 643.2553 15.2078 C35 H38 N8 O4 " [ C35 H38 N8 O4, mfg=93.54, tgt=, overall=93.54 ]" "(635.30914, 10969.043)(636.3116, 4077.7627)(637.30835, 653.19336)(657.2879, 3215.0032)(658.29004, 1377.5668)(659.28613, 153.13667)" C35 H38 N8 O4 FindByFormula + 634.3002 12.02725 C35 H39 N3 O9 " [ C35 H39 N3 O9, mfg=97.10, tgt=, overall=97.10 ]" "(323.6417, 4357.545)(324.14343, 1752.31)(324.64343, 300.65)" C35 H39 N3 O9 FindByFormula + 645.2692 17.217 C35 H40 N8 O4 " [ C35 H40 N8 O4, mfg=95.26, tgt=, overall=95.26 ]" "(637.3254, 15278.498)(638.32776, 6181.938)(639.32684, 1458.0841)(640.3565, 305.33)" C35 H40 N8 O4 FindByFormula + 636.3134 8.704401 C35 H41 N7 O9 " [ C35 H41 N7 O9, mfg=64.18, tgt=, overall=64.18 ]" "(702.2883, 3975.1948)(703.2967, 1540.04)" C35 H41 N7 O9 FindByFormula - 703.2964 6.811 C35 H44 N16 " [ C35 H44 N16, mfg=71.93, tgt=, overall=71.93 ]" "(687.386, 1125.4)(688.39044, 454.35498)" C35 H44 N16 FindByFormula - 688.3936 12.285999 C35 H44 N6 " [ C35 H44 N6, mfg=65.27, tgt=, overall=65.27 ]" "(549.3699, 6113.3438)(550.3781, 2275.1267)(551.3594, 120.81)" C35 H44 N6 FindByFormula + 548.3621 10.238 C35 H45 N15 O " [ C35 H45 N15 O, mfg=67.60, tgt=, overall=67.60 ]" "(692.39886, 5549.5044)(693.40533, 2342.8184)" C35 H45 N15 O FindByFormula + 691.3896 24.381166 C35 H46 N4 O13 " [ C35 H46 N4 O13, mfg=98.12, tgt=, overall=98.12 ]" "(729.2991, 7715.27)(730.30225, 3139.76)(731.30304, 844.5)" C35 H46 N4 O13 FindByFormula - 730.3072 10.1105 C35 H48 N14 " [ C35 H48 N14, mfg=59.04, tgt=, overall=59.04 ]" "(665.423, 1789.05)(666.43365, 915.44)" C35 H48 N14 FindByFormula + 664.4174 1.1335 C35 H48 O10 S " [ C35 H48 O10 S, mfg=89.12, tgt=, overall=89.12 ]" "(661.3039, 13681.37)(662.305, 5246.511)(663.31256, 1964.28)" C35 H48 O10 S FindByFormula + 660.297 20.706 C35 H49 N O5 S " [ C35 H49 N O5 S, mfg=93.06, tgt=, overall=93.06 ]" "(596.3391, 4433.495)(597.3445, 1874.095)(598.3429, 598.86)" C35 H49 N O5 S FindByFormula + 595.3336 8.9485 C35 H49 N9 O3 " [ C35 H49 N9 O3, mfg=71.21, tgt=, overall=71.21 ]" "(642.3889, 1938.5801)(643.3894, 758.64)" C35 H49 N9 O3 FindByFormula - 643.3936 8.6095 C35 H50 O " [ C35 H50 O, mfg=67.34, tgt=, overall=67.34 ]" "(487.39355, 1971.4199)(488.39938, 866.62335)" C35 H50 O FindByFormula + 486.3874 7.7316666 C35 H50 O3 S " [ C35 H50 O3 S, mfg=94.11, tgt=, overall=94.11 ]" "(551.35486, 3969.0117)(552.35693, 1438.1133)(553.3561, 399.6008)" C35 H50 O3 S FindByFormula + 550.3509 15.3392315 C35 H51 N15 O4 " [ C35 H51 N15 O4, mfg=96.60, tgt=, overall=96.60 ]" "(744.41754, 2629.2446)(745.42053, 1267.5547)(746.42377, 345.8487)" C35 H51 N15 O4 FindByFormula - 745.4303 22.475334 C35 H52 N2 O7 S " [ C35 H52 N2 O7 S, mfg=86.26, tgt=, overall=86.26 ]" "(323.18454, 605.145)(323.68597, 256.24002)(645.3563, 12692.984)(646.3568, 4533.504)(647.3644, 1873.0199)(667.34076, 1879.198)(668.3431, 842.48254)" C35 H52 N2 O7 S FindByFormula + 644.3459 1.0833334 C35 H52 N6 O7 " [ C35 H52 N6 O7, mfg=98.88, tgt=, overall=98.88 ]" "(669.3971, 6711.4414)(670.4008, 2725.484)(671.4028, 706.0615)" C35 H52 N6 O7 FindByFormula + 668.3887 22.634449 C35 H54 N2 O3 S " [ C35 H54 N2 O3 S, mfg=77.86, tgt=, overall=77.86 ]" "(583.391, 4615.624)(584.3974, 1887.512)(585.404, 890.012)" C35 H54 N2 O3 S FindByFormula + 582.3873 22.019 C35 H54 N4 O S2 " [ C35 H54 N4 O S2, mfg=85.92, tgt=, overall=85.92 ]" "(609.36743, 3332.99)(610.3646, 1289.805)(611.3698, 586.7)" C35 H54 N4 O S2 FindByFormula - 610.3717 8.125999 C35 H54 N4 O7 " [ C35 H54 N4 O7, mfg=94.77, tgt=, overall=94.77 ]" "(641.3927, 10869.09)(642.3938, 4143.015)(643.39526, 920.23)" C35 H54 N4 O7 FindByFormula - 642.4017 8.554501 C35 H55 N5 O7 " [ C35 H55 N5 O7, mfg=66.96, tgt=, overall=66.96 ]" "(656.40424, 1100.73)(657.4031, 420.58002)" C35 H55 N5 O7 FindByFormula - 657.4111 7.159 C35 H56 N2 O10 S " [ C35 H56 N2 O10 S, mfg=83.50, tgt=, overall=83.50 ]" "(697.37213, 3249.1633)(698.37616, 1359.2699)(699.38525, 637.19)(719.35547, 1650.25)(720.35986, 735.7867)" C35 H56 N2 O10 S FindByFormula + 696.3651 11.927666 C35 H59 N17 " [ C35 H59 N17, mfg=55.00, tgt=, overall=55.00 ]" "(718.52374, 1686.5834)(719.51666, 941.95)" C35 H59 N17 FindByFormula + 717.514 25.085 C35 H60 N2 O6 S2 " [ C35 H60 N2 O6 S2, mfg=92.85, tgt=, overall=92.85 ]" "(669.39716, 1865.9172)(670.39954, 701.042)(671.39856, 381.97998)" C35 H60 N2 O6 S2 FindByFormula + 668.3885 18.2719 C35 H60 N2 O6 S2 + 17.93346 " [ C35 H60 N2 O6 S2, mfg=91.62, tgt=, overall=91.62 ]" "(669.3972, 2287.7368)(670.4001, 996.60614)(671.39624, 505.26498)" C35 H60 N2 O6 S2 + 17.93346 FindByFormula + 668.3902 17.93346 C35 H60 O7 S " [ C35 H60 O7 S, mfg=96.39, tgt=, overall=96.39 ]" "(625.4092, 2311.4028)(626.40936, 990.79266)(627.4147, 303.5325)(663.3645, 5254.2554)(664.3673, 2291.1147)(665.369, 887.0572)(666.3708, 162.33438)(647.39526, 7838.334)(648.39734, 3181.1663)(649.4005, 903.7016)(650.4093, 266.5125)" C35 H60 O7 S FindByFormula + 624.4032 25.792524 C35 H62 N6 O10 " [ C35 H62 N6 O10, mfg=99.53, tgt=, overall=99.53 ]" "(1453.9183, 182.77)(1454.9111, 111.2425)(727.45953, 654314.0)(728.46326, 268434.3)(729.4657, 71134.15)(730.4683, 14556.759)(731.469, 2497.7761)(732.46954, 463.2256)" C35 H62 N6 O10 FindByFormula + 726.4541 16.914564 C35 H62 N6 O10 + 16.913902 " [ C35 H62 N6 O10, mfg=99.38, tgt=, overall=99.38 ]" "(727.4594, 647453.2)(728.4632, 265594.44)(729.4659, 69229.3)(730.46857, 14191.387)(731.4692, 1395.66)" C35 H62 N6 O10 + 16.913902 FindByFormula + 726.4521 16.913902 C35 H62 N6 O10 + 16.918293 " [ C35 H62 N6 O10, mfg=99.62, tgt=, overall=99.62 ]" "(727.4595, 632463.94)(728.463, 261566.44)(729.46497, 65733.03)(730.4676, 13346.935)" C35 H62 N6 O10 + 16.918293 FindByFormula + 726.4528 16.918293 C35 H62 N6 O4 S " [ C35 H62 N6 O4 S, mfg=95.79, tgt=, overall=95.79 ]" "(663.46313, 2653.415)(664.4655, 1018.0925)(665.4669, 393.93503)" C35 H62 N6 O4 S FindByFormula + 662.4545 19.24225 C35 H65 N17 O " [ C35 H65 N17 O, mfg=93.04, tgt=, overall=93.04 ]" "(740.5642, 6972.2725)(741.564, 3162.1658)(742.5658, 794.9193)(743.5657, 277.6675)" C35 H65 N17 O FindByFormula + 739.5543 24.926937 C35 H65 N7 S2 " [ C35 H65 N7 S2, mfg=80.76, tgt=, overall=80.76 ]" "(648.48395, 2845.035)(649.48065, 1162.8)(650.4786, 475.79248)(686.4403, 484.4)" C35 H65 N7 S2 FindByFormula + 647.4747 24.128698 C35 H65 N7 S2 + 24.161001 " [ C35 H65 N7 S2, mfg=78.58, tgt=, overall=78.58 ]" "(648.48413, 1896.71)(649.48004, 845.9133)(650.47876, 392.1067)" C35 H65 N7 S2 + 24.161001 FindByFormula + 647.4772 24.161001 C35 H68 N2 O14 " [ C35 H68 N2 O14, mfg=96.56, tgt=, overall=96.56 ]" "(741.4743, 13502.28)(742.478, 5630.41)(743.4766, 1567.2334)(744.4725, 431.49332)" C35 H68 N2 O14 FindByFormula + 740.464 17.723501 C35 H68 S " [ C35 H68 S, mfg=66.68, tgt=, overall=66.68 ]" "(521.51135, 1108.73)(522.5148, 316.785)" C35 H68 S FindByFormula + 520.505 24.107 C35 H70 N2 O9 S2 " [ C35 H70 N2 O9 S2, mfg=85.99, tgt=, overall=43.00 ]" "(727.4573, 1997.7264)(728.4614, 785.7509)(729.4643, 421.88834)" C35 H70 N2 O9 S2 FindByFormula + 726.4505 29.542364 C35 H73 N17 O " [ C35 H73 N17 O, mfg=63.12, tgt=, overall=63.12 ]" "(748.6264, 5754.795)(749.62286, 2455.035)" C35 H73 N17 O FindByFormula + 747.6192 9.636499 C35 H73 N5 O5 S2 " [ C35 H73 N5 O5 S2, mfg=80.38, tgt=, overall=80.38 ]" "(708.51025, 2820.681)(709.5147, 1254.1493)(710.5177, 740.02704)" C35 H73 N5 O5 S2 FindByFormula + 707.5029 25.249573 C35 H73 N5 O5 S2 + 25.266909 " [ C35 H73 N5 O5 S2, mfg=80.49, tgt=, overall=80.49 ]" "(708.50977, 3041.9329)(709.51447, 1258.0217)(710.5192, 711.87)" C35 H73 N5 O5 S2 + 25.266909 FindByFormula + 707.5004 25.266909 C35 H75 N9 O5 S " [ C35 H75 N9 O5 S, mfg=97.05, tgt=, overall=97.05 ]" "(734.56793, 7090.3076)(735.57007, 3107.8025)(736.5686, 922.8279)(737.568, 239.42784)(772.52716, 1073.0712)(773.5325, 573.39557)(759.886, 30849.023)(760.79865, 13081.023)(761.8039, 8527.93)(761.0113, 7724.754)(761.92163, 5977.2046)" C35 H75 N9 O5 S FindByFormula + 733.5598 26.959076 C36 H N O2 S2 " [ C36 H N O2 S2, mfg=59.78, tgt=, overall=59.78 ]" "(543.9529, 1343.6266)(544.95483, 639.76666)" C36 H N O2 S2 FindByFormula + 542.9459 6.7853336 C36 H19 N " [ C36 H19 N, mfg=73.67, tgt=, overall=73.67 ]" "(233.5823, 2727.232)(234.08423, 1094.392)" C36 H19 N FindByFormula + 465.1498 11.8666 C36 H20 N2 O3 " [ C36 H20 N2 O3, mfg=74.23, tgt=, overall=74.23 ]" "(529.15405, 3059.235)(530.15674, 1105.255)" C36 H20 N2 O3 FindByFormula + 528.1469 6.672 C36 H27 N5 " [ C36 H27 N5, mfg=69.97, tgt=, overall=69.97 ]" "(530.23303, 3473.225)(531.2385, 1532.3975)" C36 H27 N5 FindByFormula + 529.2274 13.37475 C36 H32 N14 O " [ C36 H32 N14 O, mfg=93.46, tgt=, overall=93.46 ]" "(677.2994, 2717.7234)(678.2989, 1186.955)(679.2948, 364.81)(715.25946, 395.37)(699.2785, 8875.346)(700.2801, 3399.0032)(701.28033, 808.91)" C36 H32 N14 O FindByFormula + 676.2885 22.415167 C36 H35 N " [ C36 H35 N, mfg=59.98, tgt=, overall=29.99 ]" "(482.28265, 2492.165)(483.29062, 1242.1625)" C36 H35 N FindByFormula + 481.2732 23.571499 C36 H36 N4 " [ C36 H36 N4, mfg=72.58, tgt=, overall=72.58 ]" "(525.30115, 2250.8167)(526.3064, 793.8017)" C36 H36 N4 FindByFormula + 524.2935 12.242833 C36 H36 O2 S5 " [ C36 H36 O2 S5, mfg=67.45, tgt=, overall=33.72 ]" "(661.1406, 1420.1599)(662.13605, 786.705)(663.14294, 569.345)" C36 H36 O2 S5 FindByFormula + 660.1332 20.504501 C36 H37 N13 O " [ C36 H37 N13 O, mfg=66.66, tgt=, overall=66.66 ]" "(666.3162, 2230.9)(667.3233, 868.525)" C36 H37 N13 O FindByFormula - 667.3261 7.3105 C36 H37 N9 O2 S3 " [ C36 H37 N9 O2 S3, mfg=76.01, tgt=, overall=76.01 ]" "(724.2324, 3531.8367)(725.2317, 1574.4567)(726.2192, 893.61005)" C36 H37 N9 O2 S3 FindByFormula + 723.2285 16.830334 C36 H38 N14 " [ C36 H38 N14, mfg=69.63, tgt=, overall=69.63 ]" "(665.33307, 1511.74)(666.3348, 737.52)" C36 H38 N14 FindByFormula - 666.3361 9.122499 C36 H40 N4 O2 " [ C36 H40 N4 O2, mfg=55.96, tgt=, overall=55.96 ]" "(559.3105, 792.32996)(560.30383, 412.73)" C36 H40 N4 O2 FindByFormula - 560.313 7.3824997 C36 H40 N6 O3 S " [ C36 H40 N6 O3 S, mfg=89.15, tgt=, overall=89.15 ]" "(637.29565, 8620.526)(638.29926, 3617.1003)(639.3061, 1323.21)(640.3056, 325.56)(675.2593, 247.945)(659.2798, 5128.46)(660.2806, 2946.64)" C36 H40 N6 O3 S FindByFormula + 636.2911 12.142001 C36 H48 N10 O3 " [ C36 H48 N10 O3, mfg=72.25, tgt=, overall=72.25 ]" "(669.39856, 6038.7197)(670.4007, 2606.3)" C36 H48 N10 O3 FindByFormula + 668.3931 19.4885 C36 H48 N10 O3 + 17.899 " [ C36 H48 N10 O3, mfg=67.08, tgt=, overall=67.08 ]" "(669.39795, 1863.78)(670.4011, 960.0125)" C36 H48 N10 O3 + 17.899 FindByFormula + 668.3928 17.899 C36 H48 N10 O4 " [ C36 H48 N10 O4, mfg=66.73, tgt=, overall=66.73 ]" "(683.3782, 1123.745)(684.3816, 577.745)" C36 H48 N10 O4 FindByFormula - 684.3857 7.6435 C36 H48 N4 O8 " [ C36 H48 N4 O8, mfg=63.36, tgt=, overall=63.36 ]" "(663.3384, 2507.9126)(664.3469, 1069.0525)" C36 H48 N4 O8 FindByFormula - 664.3498 7.15125 C36 H51 N15 O2 " [ C36 H51 N15 O2, mfg=64.08, tgt=, overall=64.08 ]" "(363.72427, 1763.52)(364.22916, 724.60333)(726.43463, 1218.5767)(748.4138, 509.40503)" C36 H51 N15 O2 FindByFormula + 725.4313 1.4266667 C36 H51 N5 O S " [ C36 H51 N5 O S, mfg=89.64, tgt=, overall=89.64 ]" "(600.37415, 2470.188)(601.3761, 930.3041)(602.3717, 246.91)" C36 H51 N5 O S FindByFormula - 601.3853 7.0504 C36 H51 N5 O5 " [ C36 H51 N5 O5, mfg=71.66, tgt=, overall=71.66 ]" "(632.382, 1792.51)(633.38324, 690.635)" C36 H51 N5 O5 FindByFormula - 633.3898 7.7095003 C36 H52 O3 S " [ C36 H52 O3 S, mfg=96.08, tgt=, overall=96.08 ]" "(565.3709, 17552.48)(566.3742, 6065.6807)(567.3752, 1908.4457)(568.3795, 402.64752)" C36 H52 O3 S FindByFormula + 564.3635 18.513 C36 H52 O3 S + 18.511251 " [ C36 H52 O3 S, mfg=95.65, tgt=, overall=95.65 ]" "(565.37103, 16336.45)(566.37445, 5611.976)(567.3752, 1990.6317)(568.37946, 455.93668)" C36 H52 O3 S + 18.511251 FindByFormula + 564.3646 18.511251 C36 H52 O3 S + 18.513 " [ C36 H52 O3 S, mfg=96.19, tgt=, overall=96.19 ]" "(565.3709, 17559.617)(566.37427, 6067.12)(567.37506, 1914.0914)(568.3795, 402.64752)" C36 H52 O3 S + 18.513 FindByFormula + 564.364 18.513 C36 H56 N6 O2 S " [ C36 H56 N6 O2 S, mfg=97.32, tgt=, overall=97.32 ]" "(319.2205, 1125.11)(319.7231, 519.31)(637.42706, 29939.635)(638.43005, 12030.995)(639.4299, 3858.29)(640.4264, 1058.02)(659.406, 23359.49)(660.412, 16717.15)(661.4121, 4301.13)" C36 H56 N6 O2 S FindByFormula + 636.4212 8.573999 C36 H56 N6 O2 S2 " [ C36 H56 N6 O2 S2, mfg=94.35, tgt=, overall=94.35 ]" "(669.3974, 1684.899)(670.39996, 683.5092)(671.39874, 323.365)" C36 H56 N6 O2 S2 FindByFormula + 668.3933 18.283667 C36 H56 O5 S " [ C36 H56 O5 S, mfg=94.71, tgt=, overall=94.71 ]" "(601.3923, 2981.455)(602.3947, 1185.8774)(603.39526, 514.58746)" C36 H56 O5 S FindByFormula + 600.3841 13.10225 C36 H58 N10 O4 S " [ C36 H58 N10 O4 S, mfg=91.79, tgt=, overall=91.79 ]" "(364.22635, 1113.8375)(364.7314, 501.01)(727.4442, 5443.5127)(728.4457, 2266.7349)(729.4495, 995.295)(749.4236, 3434.74)(750.4086, 2583.03)" C36 H58 N10 O4 S FindByFormula + 726.4312 7.5762 C36 H60 N8 O9 " [ C36 H60 N8 O9, mfg=93.36, tgt=, overall=93.36 ]" "(749.4562, 16216.92)(750.45886, 7340.915)(751.4555, 1720.425)(752.4712, 411.5)(771.444, 783.13)" C36 H60 N8 O9 FindByFormula + 748.4581 8.033501 C36 H60 O2 S " [ C36 H60 O2 S, mfg=80.51, tgt=, overall=80.51 ]" "(557.4389, 2236.9023)(558.43854, 934.4412)(559.4349, 307.53)" C36 H60 O2 S FindByFormula + 556.432 26.118124 C36 H62 Cl N O6 " [ C36 H62 Cl N O6, mfg=73.73, tgt=, overall=73.73 ]" "(320.72522, 1215.87)(321.2275, 561.88)(640.4341, 2903.6802)(641.43604, 1413.3374)(642.43506, 1607.605)(662.41504, 3400.75)(663.4268, 1292.7767)" C36 H62 Cl N O6 FindByFormula + 639.4284 7.3240004 C36 H62 N8 O2 S " [ C36 H62 N8 O2 S, mfg=98.23, tgt=, overall=98.23 ]" "(336.24564, 2470.5544)(336.7444, 1102.0536)(337.2415, 273.9925)(671.47974, 6983.2183)(672.4817, 2925.3906)(673.4807, 959.9094)(674.4862, 236.01201)(693.4598, 4061.773)(694.4607, 1714.1418)(695.4645, 477.2254)" C36 H62 N8 O2 S FindByFormula + 670.4741 7.1631336 C36 H64 N6 O5 S " [ C36 H64 N6 O5 S, mfg=95.07, tgt=, overall=95.07 ]" "(693.4737, 8383.112)(694.4769, 3340.1597)(695.47284, 904.50146)(696.4692, 223.14667)" C36 H64 N6 O5 S FindByFormula + 692.4659 17.690237 C36 H66 N2 O11 " [ C36 H66 N2 O11, mfg=96.75, tgt=, overall=96.75 ]" "(703.4738, 1548.41)(704.4762, 594.43)(705.48267, 150.76001)" C36 H66 N2 O11 FindByFormula + 702.4672 22.544 C36 H66 N2 O9 " [ C36 H66 N2 O9, mfg=97.99, tgt=, overall=97.99 ]" "(669.4706, 10613.726)(670.4739, 4103.8306)(671.4762, 950.543)(672.4797, 198.70859)" C36 H66 N2 O9 FindByFormula - 670.4811 7.1555386 C36 H69 N3 O2 S5 " [ C36 H69 N3 O2 S5, mfg=78.62, tgt=, overall=78.62 ]" "(734.3906, 1405.9553)(735.3945, 658.3669)(736.3906, 596.0939)" C36 H69 N3 O2 S5 FindByFormula - 735.4004 22.49777 C36 H72 N2 O9 S2 " [ C36 H72 N2 O9 S2, mfg=96.55, tgt=, overall=96.55 ]" "(741.4758, 5660.7324)(742.4773, 2460.2212)(743.4753, 1025.8743)(744.4788, 250.3725)" C36 H72 N2 O9 S2 FindByFormula + 740.4668 18.133875 C36 H72 N2 O9 S2 + 18.120874 " [ C36 H72 N2 O9 S2, mfg=95.57, tgt=, overall=95.57 ]" "(741.4756, 4825.3535)(742.4767, 2178.996)(743.47626, 857.17145)(744.47864, 340.595)" C36 H72 N2 O9 S2 + 18.120874 FindByFormula + 740.4664 18.120874 C36 H72 N6 O10 " [ C36 H72 N6 O10, mfg=96.89, tgt=, overall=96.89 ]" "(749.5369, 9053.013)(750.5403, 3972.7974)(751.5431, 1190.9463)(752.54913, 354.89)" C36 H72 N6 O10 FindByFormula + 748.529 23.34532 C37 H10 N4 O10 " [ C37 H10 N4 O10, mfg=62.37, tgt=, overall=62.37 ]" "(671.0472, 3629.2734)(672.0545, 1441.9199)(693.0287, 268.89)" C37 H10 N4 O10 FindByFormula + 670.0416 8.202666 C37 H11 N7 O5 " [ C37 H11 N7 O5, mfg=64.40, tgt=, overall=64.40 ]" "(634.0879, 1702.515)(635.09326, 836.55005)(656.0678, 1070.79)" C37 H11 N7 O5 FindByFormula + 633.0807 1.594 C37 H14 O6 " [ C37 H14 O6, mfg=71.27, tgt=, overall=71.27 ]" "(555.085, 1634.9166)(556.0889, 635.94)" C37 H14 O6 FindByFormula + 554.0789 12.398834 C37 H20 N16 O2 " [ C37 H20 N16 O2, mfg=71.37, tgt=, overall=71.37 ]" "(721.2024, 2356.28)(722.2053, 935.70496)" C37 H20 N16 O2 FindByFormula + 720.1936 1.23 C37 H22 N2 S2 " [ C37 H22 N2 S2, mfg=72.60, tgt=, overall=72.60 ]" "(559.1305, 2089.4128)(560.13116, 1178.5464)(561.1303, 790.49713)" C37 H22 N2 S2 FindByFormula + 558.1261 21.799002 C37 H23 N3 O2 " [ C37 H23 N3 O2, mfg=65.20, tgt=, overall=65.20 ]" "(542.18805, 2065.728)(543.1886, 964.73)" C37 H23 N3 O2 FindByFormula + 541.1779 1.9704001 C37 H30 N8 S3 " [ C37 H30 N8 S3, mfg=77.45, tgt=, overall=77.45 ]" "(683.1854, 2313.7852)(684.18713, 1029.2949)(685.1725, 691.815)(705.16614, 1301.1749)" C37 H30 N8 S3 FindByFormula + 682.1751 7.785 C37 H33 N9 O8 " [ C37 H33 N9 O8, mfg=68.68, tgt=, overall=68.68 ]" "(730.2388, 1188.5433)(731.2395, 480.23)" C37 H33 N9 O8 FindByFormula - 731.2439 17.556665 C37 H34 Cl N " [ C37 H34 Cl N, mfg=50.89, tgt=, overall=50.89 ]" "(528.25, 2394.21)(529.24835, 1364.2949)(530.2481, 967.45)" C37 H34 Cl N FindByFormula + 527.2434 15.171499 C37 H35 N3 O3 " [ C37 H35 N3 O3, mfg=66.90, tgt=, overall=66.90 ]" "(570.2768, 1434.3566)(571.2768, 618.475)(592.2602, 979.35004)(593.26483, 421.81668)" C37 H35 N3 O3 FindByFormula + 569.2698 26.850668 C37 H36 N18 " [ C37 H36 N18, mfg=71.13, tgt=, overall=71.13 ]" "(731.32916, 1665.5865)(732.33154, 745.2233)" C37 H36 N18 FindByFormula - 732.334 9.071667 C37 H39 N11 O " [ C37 H39 N11 O, mfg=59.33, tgt=, overall=59.33 ]" "(654.3402, 1038.8049)(655.3463, 601.745)" C37 H39 N11 O FindByFormula + 653.3298 7.436 C37 H41 N O4 " [ C37 H41 N O4, mfg=62.38, tgt=, overall=62.38 ]" "(564.31445, 630.815)(565.30554, 278.41998)" C37 H41 N O4 FindByFormula + 563.3061 1.3015001 C37 H41 N9 O4 S " [ C37 H41 N9 O4 S, mfg=77.90, tgt=, overall=77.90 ]" "(708.3047, 13866.516)(709.31433, 6232.05)(710.3164, 2624.3174)(730.28314, 11620.58)(731.2898, 4605.61)" C37 H41 N9 O4 S FindByFormula + 707.2977 6.955 C37 H42 N14 O2 " [ C37 H42 N14 O2, mfg=71.23, tgt=, overall=71.23 ]" "(713.35486, 689.315)(714.35645, 295.465)" C37 H42 N14 O2 FindByFormula - 714.3613 6.7545 C37 H42 N4 O6 S " [ C37 H42 N4 O6 S, mfg=90.22, tgt=, overall=90.22 ]" "(669.27527, 1884.685)(670.27875, 935.32)(671.2749, 336.89)" C37 H42 N4 O6 S FindByFormula - 670.281 23.829 C37 H42 N4 O7 " [ C37 H42 N4 O7, mfg=96.04, tgt=, overall=96.04 ]" "(653.29834, 3285.526)(654.30145, 1191.4988)(655.3046, 238.22002)" C37 H42 N4 O7 FindByFormula - 654.3058 22.342249 C37 H42 N4 O7 - 21.042 " [ C37 H42 N4 O7, mfg=89.36, tgt=, overall=89.36 ]" "(653.2969, 671.11)(654.30023, 269.4)(655.3153, 53.63)" C37 H42 N4 O7 - 21.042 FindByFormula - 654.3034 21.042 C37 H42 N4 O7 - 21.05875 " [ C37 H42 N4 O7, mfg=92.04, tgt=, overall=92.04 ]" "(653.2979, 875.6463)(654.30194, 363.94376)(655.3103, 89.22)" C37 H42 N4 O7 - 21.05875 FindByFormula - 654.3089 21.05875 C37 H42 N4 O7 - 24.020332 " [ C37 H42 N4 O7, mfg=97.40, tgt=, overall=97.40 ]" "(653.2988, 2653.5198)(654.30255, 1056.0583)(655.30524, 278.645)" C37 H42 N4 O7 - 24.020332 FindByFormula - 654.3041 24.020332 C37 H43 N11 " [ C37 H43 N11, mfg=66.81, tgt=, overall=66.81 ]" "(642.37964, 1709.495)(643.38, 773.23)" C37 H43 N11 FindByFormula + 641.3713 14.4945 C37 H44 O5 " [ C37 H44 O5, mfg=71.84, tgt=, overall=71.84 ]" "(569.3256, 1810.44)(570.3306, 737.9617)" C37 H44 O5 FindByFormula + 568.3185 12.253666 C37 H45 N3 O7 S " [ C37 H45 N3 O7 S, mfg=87.67, tgt=, overall=87.67 ]" "(676.3061, 9696.655)(677.3088, 3656.8975)(678.29987, 1273.2799)" C37 H45 N3 O7 S FindByFormula + 675.2945 17.24725 C37 H46 N2 O5 S4 " [ C37 H46 N2 O5 S4, mfg=83.32, tgt=, overall=83.32 ]" "(727.2357, 894.87805)(728.2397, 401.59198)(729.2331, 304.87)" C37 H46 N2 O5 S4 FindByFormula + 726.2284 15.439199 C37 H46 N4 O S2 " [ C37 H46 N4 O S2, mfg=89.61, tgt=, overall=89.61 ]" "(627.3205, 1968.3899)(628.32227, 857.83997)(629.319, 393.57)" C37 H46 N4 O S2 FindByFormula + 626.3123 11.0685005 C37 H47 N9 O S " [ C37 H47 N9 O S, mfg=79.79, tgt=, overall=79.79 ]" "(666.3685, 2341.3052)(667.3751, 1187.7)(668.3723, 604.65)" C37 H47 N9 O S FindByFormula + 665.3606 22.8555 C37 H48 N4 O2 S " [ C37 H48 N4 O2 S, mfg=96.75, tgt=, overall=96.75 ]" "(1248.025, 902.3)(1249.0356, 473.7333)(1249.726, 136.57)(613.35724, 7901.0967)(614.3602, 3119.957)(615.3578, 900.55225)(616.3736, 78.49)(651.3082, 2085.5764)(652.3122, 922.4467)(635.34045, 5088.6113)(636.3412, 2243.5537)(637.34875, 714.70245)" C37 H48 N4 O2 S FindByFormula + 612.35 9.9827 C37 H48 N4 O2 S + 9.985001 " [ C37 H48 N4 O2 S, mfg=93.23, tgt=, overall=93.23 ]" "(1225.7305, 311.53333)(1226.7246, 281.16)(1247.6932, 1015.2834)(1248.7064, 581.18)(613.35785, 7630.188)(614.3608, 3067.2302)(615.3558, 824.349)(616.3607, 157.14499)(651.30524, 1424.6226)(652.306, 579.265)(653.31586, 313.98502)(635.3401, 5054.354)(636.3423, 2094.5237)(637.3506, 1001.41504)" C37 H48 N4 O2 S + 9.985001 FindByFormula + 612.3522 9.985001 C37 H49 N3 O8 " [ C37 H49 N3 O8, mfg=51.32, tgt=, overall=51.32 ]" "(664.36444, 840.885)(665.353, 524.025)" C37 H49 N3 O8 FindByFormula + 663.3526 7.9975 C37 H50 O3 " [ C37 H50 O3, mfg=69.52, tgt=, overall=34.76 ]" "(543.3827, 3109.165)(544.38696, 1454.57)" C37 H50 O3 FindByFormula + 542.3761 9.0105 C37 H51 N3 S3 " [ C37 H51 N3 S3, mfg=76.68, tgt=, overall=76.68 ]" "(634.3351, 1838.0701)(635.33484, 761.675)(636.3272, 416.78)" C37 H51 N3 S3 FindByFormula + 633.3292 8.825001 C37 H55 Cl N2 S2 " [ C37 H55 Cl N2 S2, mfg=65.04, tgt=, overall=65.04 ]" "(627.3546, 4031.64)(628.357, 2134.315)(629.3619, 2629.855)(649.343, 1620.03)(650.3539, 683.44)(651.33, 2166.98)" C37 H55 Cl N2 S2 FindByFormula + 626.3501 1.1265 C37 H56 N10 O2 S " [ C37 H56 N10 O2 S, mfg=85.93, tgt=, overall=85.93 ]" "(353.22424, 3687.3933)(353.7245, 1668.5)(354.21957, 503.5933)(705.427, 6144.8325)(706.42285, 4218.79)(707.4287, 1138.735)(727.41785, 3007.28)(728.4258, 1650.755)" C37 H56 N10 O2 S FindByFormula + 704.4233 7.5808 C37 H56 N2 S3 " [ C37 H56 N2 S3, mfg=65.96, tgt=, overall=65.96 ]" "(625.3679, 1009.78503)(626.3733, 608.67)(627.3605, 405.20502)" C37 H56 N2 S3 FindByFormula + 624.3599 8.980499 C37 H56 N8 O3 " [ C37 H56 N8 O3, mfg=83.01, tgt=, overall=83.01 ]" "(661.4509, 1585.1483)(662.46246, 766.885)(663.4601, 148.68)" C37 H56 N8 O3 FindByFormula + 660.4411 17.003334 C37 H57 N5 O8 " [ C37 H57 N5 O8, mfg=78.31, tgt=, overall=78.31 ]" "(734.3897, 1212.3848)(735.39355, 583.3674)(736.389, 503.53003)(698.41327, 941.5042)(699.4161, 446.82205)" C37 H57 N5 O8 FindByFormula - 699.4237 22.484684 C37 H60 N10 O S " [ C37 H60 N10 O S, mfg=95.92, tgt=, overall=95.92 ]" "(693.47504, 8262.81)(694.47766, 3377.5813)(695.47424, 1114.0308)(696.47534, 290.585)" C37 H60 N10 O S FindByFormula + 692.4692 17.687298 C37 H62 N6 O7 " [ C37 H62 N6 O7, mfg=99.61, tgt=, overall=99.61 ]" "(703.47516, 12156.109)(704.4784, 5231.3535)(705.48145, 1361.8622)(706.4799, 347.73602)" C37 H62 N6 O7 FindByFormula + 702.4668 22.009336 C37 H62 N6 O7 + 22.010582 " [ C37 H62 N6 O7, mfg=99.30, tgt=, overall=99.30 ]" "(703.4754, 12075.379)(704.4787, 5273.938)(705.482, 1373.964)(706.48346, 394.7689)" C37 H62 N6 O7 + 22.010582 FindByFormula + 702.4676 22.010582 C37 H62 N6 O7 + 22.041502 " [ C37 H62 N6 O7, mfg=99.52, tgt=, overall=99.52 ]" "(703.47504, 12985.313)(704.47845, 5535.128)(705.4818, 1477.529)(706.48, 227.20667)" C37 H62 N6 O7 + 22.041502 FindByFormula + 702.4667 22.041502 C37 H68 N2 O2 " [ C37 H68 N2 O2, mfg=37.28, tgt=, overall=37.28 ]" "(573.53284, 290.505)(574.53284, 176.86)" C37 H68 N2 O2 FindByFormula + 572.524 25.324001 C37 H71 N O12 " [ C37 H71 N O12, mfg=96.42, tgt=, overall=96.42 ]" "(722.50366, 26168.7)(723.5074, 10549.601)(724.5119, 2867.0022)(725.5129, 1087.43)" C37 H71 N O12 FindByFormula + 721.4962 16.919308 C37 H71 N O12 + 16.9316 " [ C37 H71 N O12, mfg=97.46, tgt=, overall=97.46 ]" "(722.5038, 24159.36)(723.50806, 9927.345)(724.5109, 2815.222)" C37 H71 N O12 + 16.9316 FindByFormula + 721.4965 16.9316 C37 H72 N10 O3 " [ C37 H72 N10 O3, mfg=95.37, tgt=, overall=95.37 ]" "(705.58734, 21882.031)(706.5892, 8544.87)(707.59283, 2145.0466)" C37 H72 N10 O3 FindByFormula + 704.5822 26.929335 C37 H79 N3 O9 S " [ C37 H79 N3 O9 S, mfg=91.49, tgt=, overall=91.49 ]" "(742.5615, 4908.3433)(743.56274, 2189.5566)(744.5676, 913.31665)" C37 H79 N3 O9 S FindByFormula + 741.5531 22.139666 C38 H16 O8 " [ C38 H16 O8, mfg=66.82, tgt=, overall=66.82 ]" "(601.0914, 792.18)(602.0905, 291.54626)(623.07227, 1911.5049)(624.079, 761.202)" C38 H16 O8 FindByFormula + 600.0825 11.834001 C38 H25 N3 O10 " [ C38 H25 N3 O10, mfg=98.89, tgt=, overall=98.89 ]" "(684.1613, 16786.646)(685.1646, 7058.4863)(686.16644, 1817.6001)(706.1403, 1148.8099)(707.1436, 306.64)" C38 H25 N3 O10 FindByFormula + 683.1536 11.707334 C38 H29 N13 O " [ C38 H29 N13 O, mfg=70.94, tgt=, overall=70.94 ]" "(684.2691, 1026.6866)(685.2705, 431.29666)" C38 H29 N13 O FindByFormula + 683.2652 14.735667 C38 H37 N O " [ C38 H37 N O, mfg=66.23, tgt=, overall=66.23 ]" "(522.27844, 2038.0701)(523.2871, 767.13)" C38 H37 N O FindByFormula - 523.2866 16.635 C38 H37 N13 O2 " [ C38 H37 N13 O2, mfg=66.33, tgt=, overall=66.33 ]" "(706.31226, 700.085)(707.31714, 339.255)" C38 H37 N13 O2 FindByFormula - 707.3209 8.4655 C38 H42 O8 S " [ C38 H42 O8 S, mfg=90.61, tgt=, overall=90.61 ]" "(659.2661, 19775.127)(660.26917, 7384.886)(661.27277, 3219.4382)" C38 H42 O8 S FindByFormula + 658.2601 24.179174 C38 H42 O9 " [ C38 H42 O9, mfg=85.33, tgt=, overall=85.33 ]" "(643.28986, 4019.518)(644.2957, 1711.7361)(645.3, 684.60803)" C38 H42 O9 FindByFormula + 642.2855 21.0404 C38 H44 N4 " [ C38 H44 N4, mfg=74.01, tgt=, overall=74.01 ]" "(557.36414, 1312.9443)(558.36676, 553.9271)" C38 H44 N4 FindByFormula + 556.3574 13.173714 C38 H44 O10 " [ C38 H44 O10, mfg=90.34, tgt=, overall=90.34 ]" "(661.301, 18392.896)(662.3049, 6974.219)(663.3134, 800.26)" C38 H44 O10 FindByFormula + 660.295 20.737665 C38 H46 N2 O4 " [ C38 H46 N2 O4, mfg=95.26, tgt=, overall=95.26 ]" "(593.33777, 12364.847)(594.34064, 4644.4814)(595.3426, 956.9914)(596.35004, 295.2675)" C38 H46 N2 O4 FindByFormula - 594.3505 9.102571 C38 H47 N5 O S2 " [ C38 H47 N5 O S2, mfg=76.85, tgt=, overall=76.85 ]" "(654.3319, 3390.9175)(655.3294, 1767.1074)(656.32935, 577.91504)" C38 H47 N5 O S2 FindByFormula + 653.325 21.05775 C38 H49 N13 " [ C38 H49 N13, mfg=60.90, tgt=, overall=60.90 ]" "(688.4327, 1151.096)(689.4285, 565.916)(726.39075, 909.49255)(727.3847, 331.27002)(710.41113, 550.4017)(711.4167, 214.11)" C38 H49 N13 FindByFormula + 687.4257 1.0461667 C38 H50 N4 O10 " [ C38 H50 N4 O10, mfg=98.76, tgt=, overall=98.76 ]" "(723.36005, 11352.285)(724.363, 5273.52)(725.3668, 1425.99)(726.3677, 186.82)(761.31445, 718.265)(762.3197, 524.355)(763.3289, 87.5)(745.3374, 2388.595)(746.3484, 974.865)" C38 H50 N4 O10 FindByFormula + 722.3533 10.1744995 C38 H50 N8 S2 " [ C38 H50 N8 S2, mfg=85.08, tgt=, overall=85.08 ]" "(683.3689, 7638.814)(684.37286, 3363.6965)(685.3628, 1583.61)(705.3569, 3674.36)(706.359, 2123.27)(707.3545, 661.4)" C38 H50 N8 S2 FindByFormula + 682.37 1.1103333 C38 H52 N6 O8 " [ C38 H52 N6 O8, mfg=97.63, tgt=, overall=97.63 ]" "(719.3776, 17073.678)(720.3809, 6960.183)(721.3857, 1796.7401)(722.3751, 132.72)" C38 H52 N6 O8 FindByFormula - 720.3857 8.624 C38 H53 N3 O12 " [ C38 H53 N3 O12, mfg=95.59, tgt=, overall=95.59 ]" "(744.3688, 4322.787)(745.374, 1779.2225)(746.37537, 547.0825)" C38 H53 N3 O12 FindByFormula + 743.3595 24.252249 C38 H54 N10 O2 " [ C38 H54 N10 O2, mfg=69.84, tgt=, overall=69.84 ]" "(681.4356, 1908.4667)(682.43677, 808.15826)" C38 H54 N10 O2 FindByFormula - 682.4429 7.0861664 C38 H54 O2 S4 " [ C38 H54 O2 S4, mfg=88.44, tgt=, overall=44.22 ]" "(671.3072, 3204.4534)(672.30804, 1562.025)(673.30994, 1134.1583)(674.30676, 359.56143)" C38 H54 O2 S4 FindByFormula + 670.3004 18.404585 C38 H55 N O5 S " [ C38 H55 N O5 S, mfg=88.42, tgt=, overall=88.42 ]" "(638.3873, 18184.012)(639.39026, 7725.2744)(640.38306, 2238.9167)" C38 H55 N O5 S FindByFormula + 637.3778 7.95375 C38 H56 N12 O2 " [ C38 H56 N12 O2, mfg=69.32, tgt=, overall=69.32 ]" "(711.4586, 2017.8525)(712.4614, 943.09)" C38 H56 N12 O2 FindByFormula - 712.4615 14.942499 C38 H56 O4 S3 " [ C38 H56 O4 S3, mfg=79.72, tgt=, overall=79.72 ]" "(673.3386, 5522.143)(674.34235, 2221.96)(675.3498, 1428.5234)(676.3512, 600.20996)" C38 H56 O4 S3 FindByFormula + 672.3309 23.198334 C38 H6 N2 O16 " [ C38 H6 N2 O16, mfg=63.62, tgt=, overall=63.62 ]" "(1492.9204, 2072.86)(1493.9103, 1671.4834)(1494.9194, 855.4367)(1514.8997, 3523.498)(1515.904, 3050.396)(1516.9065, 1700.5461)(1517.914, 575.0625)(373.99396, 1703.8301)(374.49298, 673.625)(746.9693, 2600.26)(747.9616, 1359.56)" C38 H6 N2 O16 FindByFormula + 745.9566 6.8222 C38 H6 O11 " [ C38 H6 O11, mfg=56.91, tgt=, overall=56.91 ]" "(638.999, 2080.7468)(639.99695, 1007.75665)" C38 H6 O11 FindByFormula + 637.9981 7.816 C38 H60 N10 O3 " [ C38 H60 N10 O3, mfg=71.63, tgt=, overall=71.63 ]" "(705.49255, 2277.115)(706.4951, 963.07)" C38 H60 N10 O3 FindByFormula + 704.4863 25.9515 C38 H64 N4 O6 " [ C38 H64 N4 O6, mfg=57.42, tgt=, overall=28.71 ]" "(673.49207, 610.63)(674.489, 318.75)" C38 H64 N4 O6 FindByFormula + 672.4837 23.821499 C38 H66 N2 O4 S " [ C38 H66 N2 O4 S, mfg=91.76, tgt=, overall=91.76 ]" "(647.48114, 5075.5054)(648.48425, 2172.941)(649.48016, 852.3138)(650.4765, 359.79)(685.4399, 1778.926)(686.44324, 817.474)(669.4662, 72.58)" C38 H66 N2 O4 S FindByFormula + 646.4725 24.135845 C38 H66 N2 O8 S2 " [ C38 H66 N2 O8 S2, mfg=98.91, tgt=, overall=98.91 ]" "(743.4326, 56229.43)(744.4358, 23763.63)(745.4351, 10390.261)(746.4365, 3189.3926)(747.43524, 811.2654)" C38 H66 N2 O8 S2 FindByFormula + 742.4263 16.915243 C38 H68 O6 S2 " [ C38 H68 O6 S2, mfg=80.05, tgt=, overall=80.05 ]" "(707.4318, 2899.24)(707.9366, 255.2)(708.4447, 1189.38)(343.23364, 2187.6467)(343.7355, 954.2217)(344.23135, 810.14996)(685.4575, 9819.638)(686.4583, 4056.8818)(687.4555, 1241.3417)(707.4372, 11106.67)(708.4369, 4365.772)(709.42584, 2061.8225)" C38 H68 O6 S2 FindByFormula + 684.453 7.1941667 C38 H75 N9 O S " [ C38 H75 N9 O S, mfg=86.95, tgt=, overall=86.95 ]" "(706.58966, 6865.618)(707.5926, 1590.0525)(708.59296, 465.2625)(728.5714, 3809.13)(729.57635, 1661.8774)(730.56946, 362.275)" C38 H75 N9 O S FindByFormula + 705.5836 26.949749 C38 H77 N9 " [ C38 H77 N9, mfg=79.74, tgt=, overall=79.74 ]" "(660.63855, 1656.555)(661.64087, 945.69)(662.64307, 413.74)(682.6187, 344.2)(683.6258, 244.92)" C38 H77 N9 FindByFormula + 659.6319 22.045 C38 H77 N9 + 24.018667 " [ C38 H77 N9, mfg=55.24, tgt=, overall=55.24 ]" "(660.63715, 1381.8934)(661.63574, 375.02002)" C38 H77 N9 + 24.018667 FindByFormula + 659.6295 24.018667 C39 H13 N3 O9 " [ C39 H13 N3 O9, mfg=67.33, tgt=, overall=67.33 ]" "(666.05695, 1758.175)(667.05975, 800.92505)" C39 H13 N3 O9 FindByFormula - 667.0654 24.057999 C39 H20 N10 O5 " [ C39 H20 N10 O5, mfg=57.69, tgt=, overall=57.69 ]" "(709.16956, 639.25)(710.1692, 386.695)" C39 H20 N10 O5 FindByFormula + 708.1609 25.0825 C39 H20 N6 O4 S " [ C39 H20 N6 O4 S, mfg=89.43, tgt=, overall=89.43 ]" "(669.13654, 75027.49)(670.1334, 36821.055)(671.1377, 11874.913)(672.1303, 4168.529)(673.1328, 894.7234)" C39 H20 N6 O4 S FindByFormula + 668.1284 8.656089 C39 H29 Cl2 N O2 S3 " [ C39 H29 Cl2 N O2 S3, mfg=47.62, tgt=, overall=47.62 ]" "(710.08563, 36121.996)(711.0856, 1561.0358)(712.0833, 913.8934)(748.0369, 112.97)(732.06744, 193.92499)" C39 H29 Cl2 N O2 S3 FindByFormula + 709.0789 7.213571 C39 H29 N7 O S3 " [ C39 H29 N7 O S3, mfg=72.67, tgt=, overall=72.67 ]" "(708.1675, 1417.725)(709.1666, 896.76)(710.167, 561.675)" C39 H29 N7 O S3 FindByFormula + 707.1592 25.047 C39 H30 N6 O " [ C39 H30 N6 O, mfg=68.90, tgt=, overall=68.90 ]" "(599.2566, 1500.15)(600.258, 696.505)" C39 H30 N6 O FindByFormula + 598.2486 3.494 C39 H31 N11 O5 " [ C39 H31 N11 O5, mfg=68.34, tgt=, overall=68.34 ]" "(732.2433, 1040.99)(733.2462, 506.34497)" C39 H31 N11 O5 FindByFormula - 733.2516 16.76 C39 H34 N6 O2 " [ C39 H34 N6 O2, mfg=70.40, tgt=, overall=35.20 ]" "(619.2828, 356.83)(620.2844, 148.65)(641.2672, 405.16)(642.269, 90.9)" C39 H34 N6 O2 FindByFormula + 618.2772 16.079 C39 H35 N3 O3 " [ C39 H35 N3 O3, mfg=88.68, tgt=, overall=88.68 ]" "(1226.0059, 665.385)(1226.4905, 476.84)(594.27313, 4212.9204)(595.2802, 1849.7429)(596.2789, 591.45)" C39 H35 N3 O3 FindByFormula + 593.2663 16.808126 C39 H36 N6 O2 " [ C39 H36 N6 O2, mfg=69.87, tgt=, overall=69.87 ]" "(621.29645, 813.32996)(622.3008, 375.63)" C39 H36 N6 O2 FindByFormula + 620.2879 17.835999 C39 H37 N3 S2 " [ C39 H37 N3 S2, mfg=83.02, tgt=, overall=83.02 ]" "(612.2529, 3001.64)(613.2524, 1333.12)(614.2543, 660.155)" C39 H37 N3 S2 FindByFormula + 611.2475 11.121 C39 H38 N8 O2 " [ C39 H38 N8 O2, mfg=60.37, tgt=, overall=60.37 ]" "(651.32043, 645.255)(652.31714, 312.475)" C39 H38 N8 O2 FindByFormula + 650.314 1.4715 C39 H39 N O " [ C39 H39 N O, mfg=69.25, tgt=, overall=34.63 ]" "(538.31213, 2200.49)(539.3154, 895.355)" C39 H39 N O FindByFormula + 537.3012 8.6765 C39 H39 N O + 9.396 " [ C39 H39 N O, mfg=68.73, tgt=, overall=68.73 ]" "(538.3108, 1271.095)(539.3157, 585.425)" C39 H39 N O + 9.396 FindByFormula + 537.301 9.396 C39 H40 N4 O6 " [ C39 H40 N4 O6, mfg=95.88, tgt=, overall=95.88 ]" "(661.3022, 9090.727)(662.3049, 3485.3328)(663.3099, 882.8237)" C39 H40 N4 O6 FindByFormula + 660.2946 20.735666 C39 H41 N11 O2 " [ C39 H41 N11 O2, mfg=51.27, tgt=, overall=51.27 ]" "(696.3449, 1474.2151)(697.3519, 1051.6799)(718.3307, 3854.07)(719.3429, 2544.87)" C39 H41 N11 O2 FindByFormula + 695.3392 6.9405003 C39 H45 N5 O2 " [ C39 H45 N5 O2, mfg=65.99, tgt=, overall=65.99 ]" "(308.68982, 2689.79)(309.18823, 1478.3)(616.36505, 975.78503)(617.36816, 525.49)" C39 H45 N5 O2 FindByFormula + 615.3602 4.003 C39 H46 N4 O3 " [ C39 H46 N4 O3, mfg=67.60, tgt=, overall=67.60 ]" "(619.3643, 3405.0476)(620.3651, 1531.82)(641.3496, 286.51)" C39 H46 N4 O3 FindByFormula + 618.3545 24.312334 C39 H46 N8 O2 " [ C39 H46 N8 O2, mfg=68.01, tgt=, overall=68.01 ]" "(659.3822, 5569.6)(660.3824, 2425.925)(681.3681, 2222.83)" C39 H46 N8 O2 FindByFormula + 658.3755 1.8025 C39 H47 N3 O2 S2 " [ C39 H47 N3 O2 S2, mfg=79.11, tgt=, overall=79.11 ]" "(654.31866, 1301.41)(655.3159, 680.85333)(656.3214, 305.35)" C39 H47 N3 O2 S2 FindByFormula + 653.3096 1.2966667 C39 H47 N3 O7 " [ C39 H47 N3 O7, mfg=95.57, tgt=, overall=95.57 ]" "(335.68085, 2452.776)(336.18222, 909.88007)(670.3496, 4286.088)(671.3529, 1725.408)(672.3547, 543.866)" C39 H47 N3 O7 FindByFormula + 669.3434 14.595001 C39 H47 N5 O " [ C39 H47 N5 O, mfg=64.94, tgt=, overall=64.94 ]" "(301.69586, 2035.75)(302.2006, 847.865)" C39 H47 N5 O FindByFormula + 601.3791 7.057 C39 H50 N10 O " [ C39 H50 N10 O, mfg=97.46, tgt=, overall=97.46 ]" "(675.4243, 17107.36)(676.4275, 7620.668)(677.43097, 2240.5042)" C39 H50 N10 O FindByFormula + 674.4178 24.418201 C39 H50 N8 O4 S " [ C39 H50 N8 O4 S, mfg=84.54, tgt=, overall=84.54 ]" "(727.3788, 1247.06)(728.3695, 496.46)(729.3711, 390.38)(749.3545, 3345.125)(750.36444, 1620.715)(751.3554, 670.005)" C39 H50 N8 O4 S FindByFormula + 726.3661 9.184333 C39 H52 N2 O7 " [ C39 H52 N2 O7, mfg=86.90, tgt=, overall=43.45 ]" "(661.38666, 3975.6902)(662.38245, 1811.7832)(663.3899, 442.66333)(699.3516, 1137.68)(700.3663, 373.74)(683.3679, 2327.9)(684.36395, 1032.5267)(685.3591, 456.85)" C39 H52 N2 O7 FindByFormula + 660.3819 1.123 C39 H54 N2 O3 S2 " [ C39 H54 N2 O3 S2, mfg=92.86, tgt=, overall=92.86 ]" "(663.3646, 5827.2246)(664.36707, 2708.269)(665.3676, 1105.5624)" C39 H54 N2 O3 S2 FindByFormula + 662.3575 25.806335 C39 H56 N10 S " [ C39 H56 N10 S, mfg=86.40, tgt=, overall=86.40 ]" "(697.4498, 1302.14)(698.44727, 662.86)(699.4503, 208.08)" C39 H56 N10 S FindByFormula + 696.4339 18.8605 C39 H58 N4 O6 S2 " [ C39 H58 N4 O6 S2, mfg=95.25, tgt=, overall=95.25 ]" "(743.3863, 13490.108)(744.38837, 6669.6797)(745.3894, 3369.1526)(746.3889, 1195.1377)" C39 H58 N4 O6 S2 FindByFormula + 742.3788 18.175362 C39 H63 N3 S4 " [ C39 H63 N3 S4, mfg=78.85, tgt=, overall=78.85 ]" "(351.703, 1489.83)(352.2023, 711.99)(352.7053, 482.48)(702.38513, 3521.16)(703.38385, 1990.955)(704.3737, 522.06)(724.368, 1162.02)(725.3691, 63.96)" C39 H63 N3 S4 FindByFormula + 701.3713 7.057 C39 H64 N10 O2 S " [ C39 H64 N10 O2 S, mfg=93.39, tgt=, overall=93.39 ]" "(737.5018, 5431.391)(738.50446, 2220.3728)(739.50256, 691.0986)" C39 H64 N10 O2 S FindByFormula + 736.4944 17.603285 C39 H64 N4 S3 " [ C39 H64 N4 S3, mfg=87.29, tgt=, overall=87.29 ]" "(685.4347, 5259.6714)(686.4391, 2547.9922)(687.445, 1141.8867)(688.4447, 322.47)" C39 H64 N4 S3 FindByFormula + 684.429 25.304539 C39 H64 O S3 " [ C39 H64 O S3, mfg=76.31, tgt=, overall=76.31 ]" "(645.418, 3438.983)(646.4198, 1244.717)(647.42664, 919.09)" C39 H64 O S3 FindByFormula + 644.413 13.109427 C39 H73 N7 O4 " [ C39 H73 N7 O4, mfg=51.48, tgt=, overall=51.48 ]" "(704.5763, 23934.334)(705.5848, 15655.422)" C39 H73 N7 O4 FindByFormula + 703.5662 26.9396 C39 H74 Cl N7 O4 " [ C39 H74 Cl N7 O4, mfg=61.05, tgt=, overall=30.53 ]" "(740.5566, 8061.0254)(741.55383, 4722.315)(742.56274, 4175.8203)" C39 H74 Cl N7 O4 FindByFormula + 739.5456 22.05 C39 H77 N7 O2 S2 " [ C39 H77 N7 O2 S2, mfg=90.92, tgt=, overall=90.92 ]" "(740.56604, 4100.955)(741.5671, 1885.2001)(742.57, 835.5)" C39 H77 N7 O2 S2 FindByFormula + 739.5577 24.906752 C39 H83 N3 O4 S " [ C39 H83 N3 O4 S, mfg=59.72, tgt=, overall=59.72 ]" "(690.6173, 8264.62)(691.6183, 2501.484)" C39 H83 N3 O4 S FindByFormula + 689.6118 8.6684 C4 Cl2 O6 " [ C4 Cl2 O6, mfg=47.16, tgt=, overall=47.16 ]" "(428.82123, 104.435)(450.8159, 319.20667)(214.91788, 91205.02)(215.92113, 3382.286)(216.9165, 1845.05)(217.9146, 202.13)" C4 Cl2 O6 FindByFormula + 213.91 27.315088 C4 H10 N2 S2 " [ C4 H10 N2 S2, mfg=69.08, tgt=, overall=69.08 ]" "(151.03532, 3319.9956)(152.03601, 697.1671)(153.0328, 210.41602)" C4 H10 N2 S2 FindByFormula + 150.0277 27.094854 C4 H10 N2 S2 + 27.218801 " [ C4 H10 N2 S2, mfg=72.58, tgt=, overall=72.58 ]" "(151.03539, 2973.4927)(152.0363, 615.68195)(153.03127, 300.555)" C4 H10 N2 S2 + 27.218801 FindByFormula + 150.0279 27.218801 C4 H11 Cl N4 O2 S " [ C4 H11 Cl N4 O2 S, mfg=89.50, tgt=, overall=89.50 ]" "(213.0208, 18767.365)(214.02344, 1688.535)(215.01785, 6116.8203)(216.02095, 606.28)" C4 H11 Cl N4 O2 S FindByFormula - 214.0293 7.5125 C4 H11 N O2 S2 " [ C4 H11 N O2 S2, mfg=68.07, tgt=, overall=68.07 ]" "(339.0573, 248.13)(170.03299, 14920.616)(171.03426, 841.49915)(172.03178, 1179.9979)" C4 H11 N O2 S2 FindByFormula + 169.0256 0.9046402 C4 H11 N O2 S2 + 1.439 " [ C4 H11 N O2 S2, mfg=75.49, tgt=, overall=75.49 ]" "(339.0587, 305.26)(170.0326, 3049.375)(171.03494, 190.055)(172.0305, 235.155)" C4 H11 N O2 S2 + 1.439 FindByFormula + 169.0252 1.439 C4 H11 N5 S3 " [ C4 H11 N5 S3, mfg=81.72, tgt=, overall=81.72 ]" "(226.02481, 7033.4746)(227.02765, 819.9426)(228.02344, 602.3173)" C4 H11 N5 S3 FindByFormula + 225.018 1.9511923 C4 H12 Cl N3 O4 S3 " [ C4 H12 Cl N3 O4 S3, mfg=93.02, tgt=, overall=93.02 ]" "(295.96033, 4564.415)(296.96246, 517.18)(297.95685, 1918.325)(298.95728, 239.565)(299.95215, 166.25)" C4 H12 Cl N3 O4 S3 FindByFormula - 296.9678 6.816 C4 H13 N3 O3 S " [ C4 H13 N3 O3 S, mfg=87.41, tgt=, overall=87.41 ]" "(184.0743, 9291.738)(185.07326, 629.576)(186.0731, 229.23668)(222.02966, 9245.026)(223.02847, 767.832)(224.02817, 762.832)(206.05574, 8313.49)(207.05269, 1028.808)" C4 H13 N3 O3 S FindByFormula + 183.0658 0.84260005 C4 H13 N3 O3 S + 0.969077 " [ C4 H13 N3 O3 S, mfg=83.03, tgt=, overall=83.03 ]" "(184.0756, 8220.205)(185.0799, 601.0469)(186.07936, 432.41833)(206.0558, 7566.6646)" C4 H13 N3 O3 S + 0.969077 FindByFormula + 183.0682 0.969077 C4 H2 O8 S2 " [ C4 H2 O8 S2, mfg=91.08, tgt=, overall=91.08 ]" "(242.92572, 14233.014)(243.92708, 415.22467)(244.92545, 1157.5254)" C4 H2 O8 S2 FindByFormula + 241.9185 0.76493335 C4 H4 Cl2 N6 O S3 " [ C4 H4 Cl2 N6 O S3, mfg=47.62, tgt=, overall=47.62 ]" "(636.8066, 617.84)(637.80426, 231.34668)(318.90588, 1154.0)" C4 H4 Cl2 N6 O S3 FindByFormula + 317.8997 0.549 C4 H6 N2 O5 " [ C4 H6 N2 O5, mfg=65.44, tgt=, overall=65.44 ]" "(163.03433, 2322.0452)(164.03636, 345.35498)" C4 H6 N2 O5 FindByFormula + 162.0272 3.2910004 C4 H6 N6 O4 " [ C4 H6 N6 O4, mfg=83.22, tgt=, overall=41.61 ]" "(203.05328, 3750.0923)(204.0546, 282.02124)" C4 H6 N6 O4 FindByFormula + 202.0458 0.8211249 C4 H6 O S4 " [ C4 H6 O S4, mfg=53.06, tgt=, overall=53.06 ]" "(198.94019, 16799.496)(199.9418, 2727.003)(200.93799, 2647.5532)(201.93832, 229.73637)" C4 H6 O S4 FindByFormula + 197.9328 27.211811 C4 H6 O S4 + 27.201796 " [ C4 H6 O S4, mfg=52.89, tgt=, overall=52.89 ]" "(198.94014, 17823.389)(199.94167, 2920.6965)(200.93805, 2824.0117)" C4 H6 O S4 + 27.201796 FindByFormula + 197.9325 27.201796 C4 H6 O S4 + 27.208069 " [ C4 H6 O S4, mfg=53.93, tgt=, overall=53.93 ]" "(198.94016, 15864.713)(199.94156, 2541.2244)(200.93793, 2472.0186)(201.9375, 179.13)" C4 H6 O S4 + 27.208069 FindByFormula + 197.9326 27.208069 C4 H6 O4 S " [ C4 H6 O4 S, mfg=77.64, tgt=, overall=77.64 ]" "(298.99203, 6298.054)(299.9932, 1058.7966)(300.99002, 669.33057)(148.99272, 2836.526)(149.99426, 256.1053)" C4 H6 O4 S FindByFormula - 149.9992 1.0941111 C4 H6 O5 " [ C4 H6 O5, mfg=70.11, tgt=, overall=70.11 ]" "(133.0161, 4051.622)(134.01942, 199.78479)" C4 H6 O5 FindByFormula - 134.0247 0.9845238 C4 H7 N3 O " [ C4 H7 N3 O, mfg=61.41, tgt=, overall=61.41 ]" "(114.06686, 4849.0835)(115.06793, 185.28833)(116.07111, 3371.655)(117.07566, 290.746)(152.02357, 2047.2075)(136.05045, 6402.905)(137.0516, 506.93)" C4 H7 N3 O FindByFormula + 113.0595 0.99366665 C4 H7 N3 O + 1.96 " [ C4 H7 N3 O, mfg=37.03, tgt=, overall=37.03 ]" "(114.0669, 1674.145)(115.06885, 194.075)(116.071, 1196.835)(117.07565, 256.61)(152.0235, 668.38)" C4 H7 N3 O + 1.96 FindByFormula + 113.0595 1.96 C4 H8 N6 O2 " [ C4 H8 N6 O2, mfg=81.70, tgt=, overall=81.70 ]" "(173.0784, 4205.895)(174.0786, 417.55)" C4 H8 N6 O2 FindByFormula + 172.0709 1.4325 C4 H8 O2 S4 " [ C4 H8 O2 S4, mfg=66.35, tgt=, overall=66.35 ]" "(216.95021, 12094.593)(217.95134, 2019.8057)(218.9468, 2305.6274)(238.93213, 334.23)" C4 H8 O2 S4 FindByFormula + 215.9434 27.24971 C4 H8 O2 S4 + 27.205788 " [ C4 H8 O2 S4, mfg=72.20, tgt=, overall=72.20 ]" "(216.94986, 11571.518)(217.95105, 1848.39)(218.94617, 2060.3442)(238.93016, 296.09125)" C4 H8 O2 S4 + 27.205788 FindByFormula + 215.9429 27.205788 C4 H8 O3 " [ C4 H8 O3, mfg=67.37, tgt=, overall=67.37 ]" "(243.0635, 392.34)(244.0665, 83.94)(103.04198, 5340.0366)(104.04435, 285.452)" C4 H8 O3 FindByFormula - 104.0494 1.4657999 C4 H8 O3 S3 " [ C4 H8 O3 S3, mfg=62.06, tgt=, overall=62.06 ]" "(200.97185, 3766.2666)(201.9732, 827.4067)(202.9704, 1025.6533)(238.9269, 176.97)" C4 H8 O3 S3 FindByFormula + 199.9647 27.348333 C4 H9 N3 O2 " [ C4 H9 N3 O2, mfg=96.54, tgt=, overall=96.54 ]" "(263.14554, 1111.3499)(264.14337, 183.78091)(285.12802, 572.1979)(132.07748, 117943.37)(133.07993, 7334.8853)(134.07811, 820.308)(170.03305, 14666.535)(171.03435, 855.4246)(172.03235, 1219.1473)(154.05914, 11009.155)" C4 H9 N3 O2 FindByFormula + 131.0698 0.9372501 C40 H16 N2 O11 " [ C40 H16 N2 O11, mfg=64.18, tgt=, overall=64.18 ]" "(701.0834, 1676.805)(702.08295, 676.07)(723.06366, 867.19336)" C40 H16 N2 O11 FindByFormula + 700.0767 0.95375 C40 H25 N O6 " [ C40 H25 N O6, mfg=98.13, tgt=, overall=98.13 ]" "(1231.3394, 23221.65)(1232.3412, 19146.75)(1233.3458, 8715.8)(1234.3453, 2654.16)(1253.3195, 14651.684)(1254.3335, 18144.686)(1255.3257, 16610.53)(1256.3293, 5689.27)(616.176, 22100.95)(617.17883, 9123.778)(618.1832, 2063.7808)(619.19025, 1036.12)(638.1583, 3291.205)(639.1573, 2527.13)" C40 H25 N O6 FindByFormula + 615.1667 11.716101 C40 H25 N O6 + 11.7554 " [ C40 H25 N O6, mfg=91.90, tgt=, overall=91.90 ]" "(1231.3408, 1995.5898)(1232.3452, 2150.115)(1233.3455, 1109.895)(1234.3564, 698.67)(1253.3274, 1921.04)(1254.3367, 1377.4249)(1255.3309, 1182.6)(1256.3346, 345.79)(616.17615, 14769.239)(617.17896, 5794.148)(618.1874, 1367.1459)(619.1825, 774.01)(638.1568, 1050.425)(639.1437, 842.36)" C40 H25 N O6 + 11.7554 FindByFormula + 615.1706 11.7554 C40 H25 N O6 + 11.8 " [ C40 H25 N O6, mfg=95.94, tgt=, overall=95.94 ]" "(1231.3431, 3758.97)(1232.3408, 2894.44)(1233.3446, 1505.37)(1234.352, 613.11)(1235.346, 151.34)(1269.283, 655.93)(1270.2935, 453.53)(1271.3094, 265.4)(1253.3181, 1336.36)(1254.3135, 910.005)(1255.3057, 481.135)(1256.3314, 169.33)(616.1758, 17604.697)(617.17847, 6954.2734)(618.1845, 1751.1367)(619.1776, 758.87)(638.1556, 1518.25)(639.1407, 706.85)(640.1487, 95.65)" C40 H25 N O6 + 11.8 FindByFormula + 615.1671 11.8 C40 H40 N8 O S2 " [ C40 H40 N8 O S2, mfg=90.66, tgt=, overall=90.66 ]" "(713.28467, 3615.62)(714.2886, 1606.015)(715.2825, 685.23)" C40 H40 N8 O S2 FindByFormula + 712.2759 26.942001 C40 H42 N4 O " [ C40 H42 N4 O, mfg=72.20, tgt=, overall=72.20 ]" "(593.3286, 3318.3003)(594.33264, 1370.8451)" C40 H42 N4 O FindByFormula - 594.3372 11.96325 C40 H42 O11 " [ C40 H42 O11, mfg=89.79, tgt=, overall=89.79 ]" "(699.2787, 2723.7625)(700.2828, 1097.1615)(701.29297, 300.72)" C40 H42 O11 FindByFormula + 698.2741 24.013716 C40 H43 N3 O " [ C40 H43 N3 O, mfg=64.95, tgt=, overall=64.95 ]" "(582.3485, 1034.265)(583.34875, 507.76)" C40 H43 N3 O FindByFormula + 581.341 18.613499 C40 H43 N3 O + 18.190601 " [ C40 H43 N3 O, mfg=57.76, tgt=, overall=57.76 ]" "(582.349, 1032.086)(583.3467, 543.77405)" C40 H43 N3 O + 18.190601 FindByFormula + 581.3397 18.190601 C40 H44 N4 O " [ C40 H44 N4 O, mfg=72.09, tgt=, overall=72.09 ]" "(597.3585, 457.83002)(598.3627, 190.5)" C40 H44 N4 O FindByFormula + 596.3544 14.571 C40 H46 N2 O6 " [ C40 H46 N2 O6, mfg=93.34, tgt=, overall=93.34 ]" "(1323.6467, 3397.04)(1324.6584, 2509.03)(1325.6532, 855.39)(651.34296, 55952.47)(652.3449, 23307.729)(653.3502, 7377.43)(654.3348, 2709.4)(689.2976, 1115.21)(690.2982, 431.14)(673.3236, 9713.154)(674.32104, 4028.545)(675.3257, 919.85)(676.3206, 314.18)" C40 H46 N2 O6 FindByFormula + 650.3311 9.857333 C40 H47 N O7 " [ C40 H47 N O7, mfg=65.92, tgt=, overall=65.92 ]" "(654.343, 2116.62)(655.3453, 1083.7133)" C40 H47 N O7 FindByFormula + 653.3349 8.016666 C40 H50 N4 O2 " [ C40 H50 N4 O2, mfg=58.75, tgt=, overall=58.75 ]" "(619.40344, 1231.17)(620.4, 627.12)" C40 H50 N4 O2 FindByFormula + 618.3948 16.592999 C40 H53 N O5 " [ C40 H53 N O5, mfg=60.06, tgt=, overall=60.06 ]" "(628.40204, 2485.8699)(629.39874, 1189.1566)" C40 H53 N O5 FindByFormula + 627.3948 11.992 C40 H54 O7 " [ C40 H54 O7, mfg=94.00, tgt=, overall=94.00 ]" "(647.39514, 7616.978)(648.3973, 3286.7815)(649.3971, 800.7325)" C40 H54 O7 FindByFormula + 646.3858 25.795303 C40 H60 O5 S " [ C40 H60 O5 S, mfg=95.51, tgt=, overall=95.51 ]" "(653.4224, 12928.347)(654.42584, 5037.8843)(655.4258, 1635.1671)(656.425, 218.44002)" C40 H60 O5 S FindByFormula + 652.4145 18.297457 C40 H64 O7 S " [ C40 H64 O7 S, mfg=92.48, tgt=, overall=92.48 ]" "(689.444, 2593.465)(690.44653, 1198.8018)(691.4513, 453.69)" C40 H64 O7 S FindByFormula + 688.4342 13.083001 C40 H76 N4 O4 S2 " [ C40 H76 N4 O4 S2, mfg=76.70, tgt=, overall=76.70 ]" "(741.5358, 5789.15)(742.54315, 2617.1328)(743.54645, 1461.9629)" C40 H76 N4 O4 S2 FindByFormula + 740.5271 26.595285 C40 H76 N4 O4 S2 + 26.867332 " [ C40 H76 N4 O4 S2, mfg=78.08, tgt=, overall=78.08 ]" "(371.26715, 934.46497)(371.768, 166.345)(372.26868, 121.965)(741.5349, 5546.4053)(742.5417, 2667.8135)(743.5485, 1310.5878)" C40 H76 N4 O4 S2 + 26.867332 FindByFormula + 740.5298 26.867332 C40 H85 N3 " [ C40 H85 N3, mfg=64.02, tgt=, overall=64.02 ]" "(608.6798, 2520.365)(609.6852, 1297.515)" C40 H85 N3 FindByFormula + 607.6723 6.659 C40 H86 N8 O2 " [ C40 H86 N8 O2, mfg=77.18, tgt=, overall=77.18 ]" "(711.6921, 31046.627)(712.6983, 11270.847)(713.69824, 701.5633)" C40 H86 N8 O2 FindByFormula + 710.6875 8.233666 C41 H22 N4 " [ C41 H22 N4, mfg=53.46, tgt=, overall=53.46 ]" "(286.09805, 516.11)(286.6042, 318.305)" C41 H22 N4 FindByFormula + 570.1872 11.8375 C41 H33 N3 O4 " [ C41 H33 N3 O4, mfg=63.64, tgt=, overall=63.64 ]" "(632.25354, 1552.4551)(633.25635, 857.58997)" C41 H33 N3 O4 FindByFormula + 631.2482 15.1695 C41 H39 N O2 " [ C41 H39 N O2, mfg=71.86, tgt=, overall=71.86 ]" "(578.3057, 2120.87)(579.30945, 893.366)" C41 H39 N O2 FindByFormula + 577.2962 4.2462 C41 H40 N8 O3 " [ C41 H40 N8 O3, mfg=58.41, tgt=, overall=58.41 ]" "(691.3128, 1462.8534)(692.3232, 752.3733)" C41 H40 N8 O3 FindByFormula - 692.3247 7.4023337 C41 H43 N5 O3 " [ C41 H43 N5 O3, mfg=58.38, tgt=, overall=58.38 ]" "(654.3449, 2675.1602)(655.34265, 1391.81)" C41 H43 N5 O3 FindByFormula + 653.3349 6.984 C41 H43 N5 O4 " [ C41 H43 N5 O4, mfg=60.51, tgt=, overall=60.51 ]" "(668.32086, 1566.572)(669.333, 673.18604)" C41 H43 N5 O4 FindByFormula - 669.3292 7.0105996 C41 H47 N3 O8 " [ C41 H47 N3 O8, mfg=67.12, tgt=, overall=67.12 ]" "(355.675, 1514.15)(356.1781, 655.115)(710.3412, 1011.91)(711.3473, 545.6)" C41 H47 N3 O8 FindByFormula + 709.3359 3.7015 C41 H50 N4 O3 " [ C41 H50 N4 O3, mfg=94.10, tgt=, overall=94.10 ]" "(647.3961, 8025.404)(648.3973, 3517.6401)(649.4027, 1156.0767)" C41 H50 N4 O3 FindByFormula + 646.3865 25.782568 C41 H51 N O5 " [ C41 H51 N O5, mfg=63.19, tgt=, overall=63.19 ]" "(638.38184, 2560.1267)(639.38776, 1220.4532)" C41 H51 N O5 FindByFormula + 637.3793 6.917667 C41 H52 O7 " [ C41 H52 O7, mfg=62.03, tgt=, overall=62.03 ]" "(657.3799, 1321.58)(658.37976, 661.77)" C41 H52 O7 FindByFormula + 656.3721 12.224001 C41 H54 N10 S " [ C41 H54 N10 S, mfg=94.43, tgt=, overall=94.43 ]" "(719.43, 1993.8384)(720.4317, 783.8233)(757.38214, 1357.22)(758.3861, 647.37604)(741.415, 4366.0835)(742.41583, 2214.1184)(743.41797, 691.7883)" C41 H54 N10 S FindByFormula + 718.4223 13.894857 C41 H55 N3 O4 " [ C41 H55 N3 O4, mfg=79.97, tgt=, overall=79.97 ]" "(654.4269, 5797.94)(655.4263, 2856.28)(656.43365, 204.84)" C41 H55 N3 O4 FindByFormula + 653.4184 18.3885 C41 H56 N4 O3 " [ C41 H56 N4 O3, mfg=93.68, tgt=, overall=93.68 ]" "(653.43805, 2534.411)(654.43945, 1057.0)(655.4463, 346.96)(691.39606, 13038.366)(692.39856, 5855.12)(693.4061, 2136.7117)(694.402, 2063.66)(675.4244, 31325.262)(676.4277, 14216.242)(677.4364, 3413.644)(678.4408, 869.46497)" C41 H56 N4 O3 FindByFormula + 652.4326 24.38045 C41 H58 N2 O3 S2 " [ C41 H58 N2 O3 S2, mfg=90.41, tgt=, overall=90.41 ]" "(691.3948, 13810.51)(692.39795, 6153.2095)(693.40607, 2520.8757)(694.40625, 795.6125)" C41 H58 N2 O3 S2 FindByFormula + 690.3891 24.38041 C41 H58 N2 O3 S2 + 24.373299 " [ C41 H58 N2 O3 S2, mfg=89.84, tgt=, overall=89.84 ]" "(691.3956, 14805.74)(692.398, 6593.138)(693.40607, 2577.6782)(694.40625, 795.6125)" C41 H58 N2 O3 S2 + 24.373299 FindByFormula + 690.3902 24.373299 C41 H60 N10 O S " [ C41 H60 N10 O S, mfg=96.48, tgt=, overall=96.48 ]" "(741.47534, 4435.7954)(742.4769, 2147.0056)(743.47516, 796.6688)(744.4753, 192.07668)" C41 H60 N10 O S FindByFormula + 740.4662 18.119556 C41 H62 O6 S " [ C41 H62 O6 S, mfg=94.17, tgt=, overall=94.17 ]" "(683.4328, 1906.4135)(684.4375, 808.72675)(685.4355, 310.865)" C41 H62 O6 S FindByFormula + 682.4284 29.570002 C41 H72 N8 S2 " [ C41 H72 N8 S2, mfg=70.34, tgt=, overall=70.34 ]" "(741.53595, 3807.4497)(742.5448, 2013.3014)(743.55164, 1101.2244)" C41 H72 N8 S2 FindByFormula + 740.5353 26.900284 C41 H75 N O10 " [ C41 H75 N O10, mfg=67.08, tgt=, overall=67.08 ]" "(742.546, 3491.915)(743.5499, 1198.33)" C41 H75 N O10 FindByFormula + 741.5398 26.7845 C42 H17 N5 O2 " [ C42 H17 N5 O2, mfg=67.89, tgt=, overall=67.89 ]" "(624.145, 3166.075)(625.1504, 1398.185)" C42 H17 N5 O2 FindByFormula + 623.132 8.6425 C42 H22 N4 O2 " [ C42 H22 N4 O2, mfg=70.28, tgt=, overall=70.28 ]" "(615.1811, 2919.207)(616.1851, 1311.5099)" C42 H22 N4 O2 FindByFormula + 614.172 10.803 C42 H22 N4 O2 + 10.787 " [ C42 H22 N4 O2, mfg=67.01, tgt=, overall=67.01 ]" "(615.1829, 3755.4568)(616.1845, 1812.2999)" C42 H22 N4 O2 + 10.787 FindByFormula + 614.1732 10.787 C42 H25 N O " [ C42 H25 N O, mfg=64.59, tgt=, overall=64.59 ]" "(280.60522, 925.7)(281.1039, 402.16666)(560.20044, 1043.865)(561.1907, 140.915)" C42 H25 N O FindByFormula + 559.1942 15.132667 C42 H25 N O + 15.130333 " [ C42 H25 N O, mfg=71.49, tgt=, overall=71.49 ]" "(280.60413, 1164.48)(281.10522, 505.57)(560.20404, 880.975)(561.20355, 222.03499)" C42 H25 N O + 15.130333 FindByFormula + 559.1959 15.130333 C42 H25 N5 O " [ C42 H25 N5 O, mfg=58.77, tgt=, overall=58.77 ]" "(616.2156, 936.97)(617.2149, 510.375)" C42 H25 N5 O FindByFormula + 615.2053 13.7315 C42 H27 N3 S " [ C42 H27 N3 S, mfg=90.20, tgt=, overall=90.20 ]" "(606.20026, 4279.776)(607.2042, 1176.51)(608.21704, 723.57996)(628.18274, 2087.2498)(629.1841, 824.06494)(630.18835, 282.79)" C42 H27 N3 S FindByFormula + 605.1927 15.229199 C42 H33 Cl N2 O2 " [ C42 H33 Cl N2 O2, mfg=64.26, tgt=, overall=64.26 ]" "(633.2266, 1063.2267)(634.233, 540.2233)(635.2385, 472.79)" C42 H33 Cl N2 O2 FindByFormula + 632.2204 27.072334 C42 H34 N4 O4 " [ C42 H34 N4 O4, mfg=87.44, tgt=, overall=87.44 ]" "(659.2667, 2513.1)(660.26965, 1095.395)(661.2599, 206.885)" C42 H34 N4 O4 FindByFormula + 658.2576 22.810501 C42 H39 N O2 " [ C42 H39 N O2, mfg=61.00, tgt=, overall=61.00 ]" "(588.29224, 687.155)(589.2947, 409.43)" C42 H39 N O2 FindByFormula - 589.2995 7.5645 C42 H42 N2 S " [ C42 H42 N2 S, mfg=70.67, tgt=, overall=70.67 ]" "(607.313, 3505.8633)(608.3174, 1895.3033)(609.3241, 1119.2)(629.2979, 361.34)(630.285, 67.6)" C42 H42 N2 S FindByFormula + 606.3089 8.728667 C42 H45 N3 O " [ C42 H45 N3 O, mfg=62.55, tgt=, overall=62.55 ]" "(608.362, 1303.23)(609.369, 662.715)" C42 H45 N3 O FindByFormula + 607.354 23.227 C42 H51 N9 O2 " [ C42 H51 N9 O2, mfg=57.16, tgt=, overall=57.16 ]" "(714.4265, 456.03665)(715.42267, 250.94667)" C42 H51 N9 O2 FindByFormula + 713.42 18.208 C42 H52 N8 O " [ C42 H52 N8 O, mfg=93.80, tgt=, overall=93.80 ]" "(685.43463, 6372.267)(686.43787, 3160.1511)(687.44354, 577.5755)(688.437, 249.53)" C42 H52 N8 O FindByFormula + 684.4269 25.6301 C42 H52 N8 O + 25.5901 " [ C42 H52 N8 O, mfg=96.73, tgt=, overall=96.73 ]" "(685.4336, 5322.3857)(686.43726, 2663.9988)(687.44226, 509.83005)(688.4383, 97.0)" C42 H52 N8 O + 25.5901 FindByFormula + 684.4269 25.5901 C42 H55 Cl N6 O4 " [ C42 H55 Cl N6 O4, mfg=68.08, tgt=, overall=68.08 ]" "(743.4025, 2758.3352)(744.4053, 1416.9366)(745.41266, 1363.1351)(765.389, 253.58)" C42 H55 Cl N6 O4 FindByFormula + 742.3963 10.545833 C42 H58 N6 O4 S " [ C42 H58 N6 O4 S, mfg=90.65, tgt=, overall=90.65 ]" "(741.41614, 1016.41)(742.4225, 449.03497)(743.4211, 173.29)" C42 H58 N6 O4 S FindByFormula - 742.4268 6.842 C42 H64 O9 " [ C42 H64 O9, mfg=87.50, tgt=, overall=87.50 ]" "(357.2382, 2412.85)(357.7409, 1292.07)(358.238, 666.96)(713.46405, 7788.525)(714.46545, 3474.65)(715.4586, 965.515)(735.44653, 3275.63)(736.43945, 1942.9651)" C42 H64 O9 FindByFormula + 712.4585 1.8195 C42 H72 O7 S " [ C42 H72 O7 S, mfg=92.61, tgt=, overall=92.61 ]" "(721.5067, 4989.94)(722.5115, 2263.116)(723.514, 854.76404)" C42 H72 O7 S FindByFormula + 720.499 20.5522 C42 H81 N O6 S " [ C42 H81 N O6 S, mfg=87.57, tgt=, overall=87.57 ]" "(728.58734, 5559.6123)(729.5863, 2422.5625)(730.58777, 748.7875)" C42 H81 N O6 S FindByFormula + 727.5811 25.877499 C43 H18 N2 " [ C43 H18 N2, mfg=51.39, tgt=, overall=51.39 ]" "(563.15857, 1630.3899)(564.15424, 954.85)" C43 H18 N2 FindByFormula + 562.1554 1.3315 C43 H27 N7 O4 " [ C43 H27 N7 O4, mfg=64.66, tgt=, overall=64.66 ]" "(706.2196, 593.25)(707.2219, 331.695)" C43 H27 N7 O4 FindByFormula + 705.2096 15.8685 C43 H30 N2 O9 " [ C43 H30 N2 O9, mfg=66.62, tgt=, overall=66.62 ]" "(719.2027, 1750.3049)(720.20483, 839.795)" C43 H30 N2 O9 FindByFormula + 718.1948 24.245998 C43 H36 O5 " [ C43 H36 O5, mfg=65.63, tgt=, overall=65.63 ]" "(633.26416, 1124.09)(634.26575, 570.375)(655.24634, 461.4)" C43 H36 O5 FindByFormula + 632.2582 24.8395 C43 H4 N4 O5 " [ C43 H4 N4 O5, mfg=65.71, tgt=, overall=65.71 ]" "(657.02563, 1380.2524)(658.02625, 596.56)" C43 H4 N4 O5 FindByFormula + 656.0193 2.01475 C43 H40 O4 " [ C43 H40 O4, mfg=96.92, tgt=, overall=96.92 ]" "(1263.5593, 323.58)(621.29614, 3367.5867)(622.2994, 947.75336)(623.2981, 1026.02)(643.2818, 8608.5)(644.287, 4013.21)(645.2881, 1071.32)" C43 H40 O4 FindByFormula + 620.2917 17.462334 C43 H40 O5 " [ C43 H40 O5, mfg=96.38, tgt=, overall=96.38 ]" "(637.29504, 5384.35)(638.29785, 2219.255)(639.3027, 526.99)(659.2741, 1359.7)(660.2739, 642.57)(661.2768, 153.78)" C43 H40 O5 FindByFormula + 636.289 12.018499 C43 H41 N11 O2 " [ C43 H41 N11 O2, mfg=63.15, tgt=, overall=63.15 ]" "(744.3532, 1849.1635)(745.3535, 997.7766)" C43 H41 N11 O2 FindByFormula + 743.3502 14.575999 C43 H42 O2 S " [ C43 H42 O2 S, mfg=66.23, tgt=, overall=66.23 ]" "(623.30023, 3077.875)(624.2984, 1983.985)(625.2951, 788.12)(626.3059, 373.35)(645.2836, 3257.79)(646.2858, 2364.17)(647.2769, 1197.05)" C43 H42 O2 S FindByFormula + 622.2916 10.5005 C43 H43 N11 O " [ C43 H43 N11 O, mfg=68.35, tgt=, overall=68.35 ]" "(728.35767, 2499.3398)(729.3602, 1203.825)" C43 H43 N11 O FindByFormula - 729.3642 7.314 C43 H54 N6 O4 " [ C43 H54 N6 O4, mfg=96.36, tgt=, overall=96.36 ]" "(717.4132, 2671.3281)(718.41614, 1150.6641)(719.4204, 277.174)" C43 H54 N6 O4 FindByFormula - 718.4193 13.889 C43 H59 N O S " [ C43 H59 N O S, mfg=86.01, tgt=, overall=86.01 ]" "(636.42554, 813.29)(637.4274, 479.9633)(638.43085, 176.15666)" C43 H59 N O S FindByFormula - 637.4335 24.303001 C43 H6 N6 O " [ C43 H6 N6 O, mfg=69.81, tgt=, overall=69.81 ]" "(623.0681, 1154.465)(624.07135, 511.90503)" C43 H6 N6 O FindByFormula + 622.062 12.3654995 C43 H64 O6 " [ C43 H64 O6, mfg=87.14, tgt=, overall=87.14 ]" "(677.47864, 4893.669)(678.4833, 2084.8228)(679.4717, 561.29285)" C43 H64 O6 FindByFormula + 676.4708 20.660429 C43 H80 O4 S2 + 26.604198 " [ C43 H80 O4 S2, mfg=77.51, tgt=, overall=38.76 ]" "(725.5558, 11227.358)(726.5587, 5052.4097)(727.5668, 3476.7397)(728.5658, 1219.075)" C43 H80 O4 S2 + 26.604198 FindByFormula + 724.5501 26.604198 C44 H26 N8 " [ C44 H26 N8, mfg=62.48, tgt=, overall=62.48 ]" "(667.2345, 1269.8501)(668.2408, 676.31)" C44 H26 N8 FindByFormula + 666.2286 24.0085 C44 H28 N10 " [ C44 H28 N10, mfg=53.42, tgt=, overall=53.42 ]" "(697.2599, 936.96497)(698.2573, 632.485)" C44 H28 N10 FindByFormula + 696.2541 1.3055 C44 H30 N2 O5 S2 " [ C44 H30 N2 O5 S2, mfg=88.62, tgt=, overall=88.62 ]" "(731.1673, 873.42)(732.1721, 395.71002)(733.1657, 193.265)" C44 H30 N2 O5 S2 FindByFormula + 730.1631 16.717499 C44 H48 N4 O S " [ C44 H48 N4 O S, mfg=92.71, tgt=, overall=92.71 ]" "(681.36255, 7064.645)(682.36694, 3222.35)(683.36414, 1332.875)(703.34326, 4132.59)(704.3473, 1515.815)(705.3276, 253.61)" C44 H48 N4 O S FindByFormula + 680.3537 13.144 C44 H50 N4 O " [ C44 H50 N4 O, mfg=60.03, tgt=, overall=60.03 ]" "(651.4043, 799.30505)(652.41345, 391.35)" C44 H50 N4 O FindByFormula + 650.397 16.3975 C44 H58 N2 O3 " [ C44 H58 N2 O3, mfg=98.00, tgt=, overall=98.00 ]" "(1347.8759, 302.27)(663.453, 16571.967)(664.4561, 8474.258)(665.45996, 2310.3206)(666.46204, 582.5257)(701.4091, 350.25)(702.41144, 146.22667)(703.4018, 43.59)(685.4349, 5850.379)(686.43896, 2838.757)(687.44653, 1089.1621)(688.4366, 260.76)" C44 H58 N2 O3 FindByFormula + 662.4458 25.378948 C44 H58 N2 O3 + 25.370815 " [ C44 H58 N2 O3, mfg=99.31, tgt=, overall=99.31 ]" "(663.45264, 18299.922)(664.45575, 9005.108)(665.4591, 2215.002)(666.4596, 607.79004)(701.412, 764.22003)(702.4105, 321.724)(703.4029, 207.94)(685.4345, 6619.9688)(686.4379, 3217.5298)(687.4438, 1050.6049)(688.44574, 243.25667)" C44 H58 N2 O3 + 25.370815 FindByFormula + 662.4452 25.370815 C44 H58 N2 O3 + 25.372917 " [ C44 H58 N2 O3, mfg=99.06, tgt=, overall=99.06 ]" "(663.45215, 17663.662)(664.4553, 8487.336)(665.4584, 2355.477)(666.4569, 646.48663)(701.4096, 560.12286)(702.41327, 421.21667)(703.4004, 295.43)(685.4342, 7765.089)(686.4374, 4148.9204)(687.4428, 890.3034)(688.4429, 265.21335)" C44 H58 N2 O3 + 25.372917 FindByFormula + 662.4436 25.372917 C44 H58 N2 O3 + 25.40306 " [ C44 H58 N2 O3, mfg=99.29, tgt=, overall=99.29 ]" "(1347.8833, 457.26334)(663.4525, 18107.15)(664.45557, 9231.051)(665.45935, 2224.5625)(666.4608, 529.9725)(701.4096, 753.7073)(702.4099, 327.90442)(703.4029, 207.30501)(685.4343, 8910.201)(686.4382, 3991.4614)(687.4452, 1388.1599)(688.44104, 378.78998)" C44 H58 N2 O3 + 25.40306 FindByFormula + 662.4446 25.40306 C44 H58 N2 O3 + 25.726 " [ C44 H58 N2 O3, mfg=97.02, tgt=, overall=97.02 ]" "(663.4535, 13792.275)(664.45654, 6786.4297)(665.46045, 1791.815)(666.46094, 291.335)(685.43506, 9460.515)(686.43835, 4017.585)(687.4433, 952.345)(688.4426, 377.49)" C44 H58 N2 O3 + 25.726 FindByFormula + 662.4461 25.726 C44 H58 N2 O3 + 25.760714 " [ C44 H58 N2 O3, mfg=98.95, tgt=, overall=98.95 ]" "(1347.8752, 91.68)(663.4515, 16872.074)(664.455, 7785.344)(665.45844, 1979.9286)(666.46106, 385.90598)(701.4103, 363.19)(702.4085, 214.05)(685.4331, 10818.597)(686.4368, 4784.9336)(687.44147, 1140.59)(688.44037, 350.435)" C44 H58 N2 O3 + 25.760714 FindByFormula + 662.444 25.760714 C44 H58 N2 O3 + 25.778666 " [ C44 H58 N2 O3, mfg=99.57, tgt=, overall=99.57 ]" "(1347.9053, 209.88)(663.45215, 14161.054)(664.4551, 7089.9067)(665.45917, 1659.21)(666.4599, 318.505)(701.4068, 453.49)(702.4109, 242.435)(703.4016, 56.67)(685.43384, 9287.693)(686.43744, 3904.4133)(687.4419, 1100.2433)(688.4356, 373.22)" C44 H58 N2 O3 + 25.778666 FindByFormula + 662.4414 25.778666 C44 H58 O5 " [ C44 H58 O5, mfg=94.12, tgt=, overall=47.06 ]" "(667.43536, 2101.956)(668.4396, 921.536)(669.43835, 188.90399)" C44 H58 O5 FindByFormula + 666.4307 19.182001 C44 H88 N2 O2 S " [ C44 H88 N2 O2 S, mfg=47.50, tgt=, overall=47.50 ]" "(709.6616, 14014.508)(710.65375, 9934.798)(711.65735, 667.24)(747.6195, 596.225)" C44 H88 N2 O2 S FindByFormula + 708.6537 7.20175 C44 H88 N6 O " [ C44 H88 N6 O, mfg=60.15, tgt=, overall=60.15 ]" "(717.7069, 1364.025)(718.7147, 705.85)" C44 H88 N6 O FindByFormula + 716.6964 7.418 C45 H22 O3 S2 " [ C45 H22 O3 S2, mfg=77.15, tgt=, overall=77.15 ]" "(675.1052, 887.46497)(676.1109, 444.89)(677.11554, 244.405)" C45 H22 O3 S2 FindByFormula + 674.0956 15.2205 C45 H23 N5 O4 " [ C45 H23 N5 O4, mfg=65.16, tgt=, overall=65.16 ]" "(698.1827, 1086.2201)(699.18524, 599.56665)" C45 H23 N5 O4 FindByFormula + 697.179 13.516666 C45 H49 N5 O5 " [ C45 H49 N5 O5, mfg=62.65, tgt=, overall=62.65 ]" "(740.3799, 958.18005)(741.3838, 580.095)" C45 H49 N5 O5 FindByFormula + 739.3759 8.5105 C45 H51 N9 O " [ C45 H51 N9 O, mfg=91.34, tgt=, overall=91.34 ]" "(734.42914, 3620.03)(735.43475, 1775.5712)(736.43756, 556.6763)" C45 H51 N9 O FindByFormula + 733.4218 24.210999 C45 H52 N6 O4 " [ C45 H52 N6 O4, mfg=57.32, tgt=, overall=57.32 ]" "(741.41327, 1094.6034)(742.41327, 743.2134)(763.3918, 793.76666)" C45 H52 N6 O4 FindByFormula + 740.4059 13.922666 C45 H56 N6 O3 " [ C45 H56 N6 O3, mfg=86.50, tgt=, overall=86.50 ]" "(365.22864, 2468.1226)(365.73178, 1250.6176)(366.22534, 314.16)(729.44385, 1751.9023)(730.4521, 774.81)(751.4316, 3084.914)(752.4333, 1346.666)" C45 H56 N6 O3 FindByFormula + 728.4455 4.3228 C45 H60 N6 O2 S " [ C45 H60 N6 O2 S, mfg=96.46, tgt=, overall=96.46 ]" "(749.4575, 14705.352)(750.4598, 7452.6357)(751.4579, 2262.622)(752.45435, 651.605)" C45 H60 N6 O2 S FindByFormula + 748.4482 8.1406 C45 H87 N O " [ C45 H87 N O, mfg=46.44, tgt=, overall=46.44 ]" "(658.6909, 1289.11)(659.69305, 613.01)" C45 H87 N O FindByFormula + 657.6821 7.5655 C46 H20 N10 O2 " [ C46 H20 N10 O2, mfg=65.88, tgt=, overall=65.88 ]" "(745.1836, 1714.06)(746.18805, 801.93)" C46 H20 N10 O2 FindByFormula + 744.1763 25.619 C46 H38 N2 " [ C46 H38 N2, mfg=62.86, tgt=, overall=62.86 ]" "(619.31067, 665.14)(620.31177, 362.53)" C46 H38 N2 FindByFormula + 618.3008 20.2085 C46 H44 N2 O S " [ C46 H44 N2 O S, mfg=91.97, tgt=, overall=91.97 ]" "(673.3255, 2915.0735)(674.3274, 1598.855)(675.32715, 636.9267)(695.31195, 6216.1)(696.30914, 2492.0566)(697.3122, 2189.175)" C46 H44 N2 O S FindByFormula + 672.3241 8.8689995 C46 H44 N8 O " [ C46 H44 N8 O, mfg=57.33, tgt=, overall=57.33 ]" "(725.36993, 1445.885)(726.37195, 1031.125)" C46 H44 N8 O FindByFormula + 724.3708 7.186 C46 H56 N2 O3 " [ C46 H56 N2 O3, mfg=94.00, tgt=, overall=94.00 ]" "(685.43506, 9175.225)(686.4387, 4567.7725)(687.4444, 923.54004)(688.43945, 399.83002)" C46 H56 N2 O3 FindByFormula + 684.4293 25.574001 C46 H58 N4 O5 " [ C46 H58 N4 O5, mfg=65.96, tgt=, overall=65.96 ]" "(747.4482, 1265.3059)(748.4505, 645.07996)" C46 H58 N4 O5 FindByFormula + 746.4421 16.1516 C47 H46 S " [ C47 H46 S, mfg=87.43, tgt=, overall=87.43 ]" "(643.33746, 4545.64)(644.343, 2108.1934)(645.34467, 911.7933)" C47 H46 S FindByFormula + 642.3305 8.303666 C47 H48 N4 O2 " [ C47 H48 N4 O2, mfg=86.33, tgt=, overall=86.33 ]" "(701.3865, 4293.61)(702.3873, 2265.0)(703.3864, 398.98)" C47 H48 N4 O2 FindByFormula + 700.3792 7.2855 C48 H23 Cl N4 O " [ C48 H23 Cl N4 O, mfg=83.35, tgt=, overall=83.35 ]" "(707.16693, 1437.7108)(708.16693, 896.0899)(709.1657, 777.5342)(710.16034, 271.53714)" C48 H23 Cl N4 O FindByFormula + 706.1596 25.078833 C48 H26 N6 S " [ C48 H26 N6 S, mfg=92.57, tgt=, overall=92.57 ]" "(719.2029, 1804.1768)(720.2043, 923.84326)(721.2066, 358.71)" C48 H26 N6 S FindByFormula + 718.1953 24.247665 C48 H31 N O3 S " [ C48 H31 N O3 S, mfg=63.32, tgt=, overall=63.32 ]" "(702.2131, 948.1667)(703.2144, 678.31)(704.2122, 490.55835)" C48 H31 N O3 S FindByFormula + 701.2014 25.084833 C48 H55 N3 S2 " [ C48 H55 N3 S2, mfg=91.76, tgt=, overall=91.76 ]" "(738.3908, 3025.351)(739.39185, 1572.9999)(740.3907, 770.91113)(741.4017, 103.66001)" C48 H55 N3 S2 FindByFormula + 737.3838 22.469887 C49 H16 N6 " [ C49 H16 N6, mfg=65.46, tgt=, overall=65.46 ]" "(689.15094, 1117.24)(690.15466, 609.73)" C49 H16 N6 FindByFormula + 688.1411 20.4945 C49 H25 N3 O3 " [ C49 H25 N3 O3, mfg=53.66, tgt=, overall=53.66 ]" "(704.2005, 1034.8934)(705.1917, 606.47)" C49 H25 N3 O3 FindByFormula + 703.1913 13.613 C49 H6 " [ C49 H6, mfg=61.17, tgt=, overall=61.17 ]" "(595.0551, 1002.0801)(596.05475, 419.04333)" C49 H6 FindByFormula + 594.0486 1.9446667 C49 H64 O3 " [ C49 H64 O3, mfg=95.81, tgt=, overall=95.81 ]" "(1403.0312, 295.06)(701.4927, 3204.72)(702.4964, 1896.1001)(703.4994, 574.74)" C49 H64 O3 FindByFormula + 700.4862 8.4235 C5 H10 Cl2 O3 S5 " [ C5 H10 Cl2 O3 S5, mfg=47.51, tgt=, overall=47.51 ]" "(696.7291, 458.67)(348.86743, 1344.8234)(349.86377, 227.97667)" C5 H10 Cl2 O3 S5 FindByFormula + 347.8604 27.353666 C5 H10 N4 O4 " [ C5 H10 N4 O4, mfg=85.83, tgt=, overall=85.83 ]" "(191.07692, 21991.562)(192.07959, 1667.6873)" C5 H10 N4 O4 FindByFormula + 190.0695 0.75883335 C5 H10 N6 O4 " [ C5 H10 N6 O4, mfg=83.95, tgt=, overall=83.95 ]" "(219.0839, 5202.745)(220.08429, 498.41998)" C5 H10 N6 O4 FindByFormula + 218.0763 0.75699997 C5 H11 N O2 S " [ C5 H11 N O2 S, mfg=94.34, tgt=, overall=94.34 ]" "(150.0592, 58413.582)(151.06189, 3985.9849)(152.05763, 2703.2048)(188.01842, 214.404)(172.04112, 573.75714)" C5 H11 N O2 S FindByFormula + 149.0508 1.0756668 C5 H11 N O4 S2 " [ C5 H11 N O4 S2, mfg=59.64, tgt=, overall=59.64 ]" "(212.00461, 4279.885)(213.00821, 435.02002)" C5 H11 N O4 S2 FindByFormula - 213.0121 7.3225 C5 H12 N6 O S3 " [ C5 H12 N6 O S3, mfg=85.62, tgt=, overall=85.62 ]" "(269.03046, 1971.5701)(270.03186, 94.310005)(271.028, 149.63)" C5 H12 N6 O S3 FindByFormula + 268.0217 1.938 C5 H13 N O2 " [ C5 H13 N O2, mfg=87.39, tgt=, overall=87.39 ]" "(120.102165, 11038.974)(121.10477, 638.57855)" C5 H13 N O2 FindByFormula + 119.0947 0.9024616 C5 H13 N O6 S " [ C5 H13 N O6 S, mfg=94.36, tgt=, overall=94.36 ]" "(453.0798, 341.49)(216.05415, 7468.354)(217.05693, 517.9131)(218.0489, 184.46286)(254.00842, 326.049)(238.03581, 2573.904)" C5 H13 N O6 S FindByFormula + 215.0466 1.2685 C5 H13 N3 O7 S " [ C5 H13 N3 O7 S, mfg=78.60, tgt=, overall=39.30 ]" "(260.0535, 3658.7834)(261.05383, 399.50668)(262.05585, 371.5983)" C5 H13 N3 O7 S FindByFormula + 259.0452 0.9371667 C5 H3 N3 S2 " [ C5 H3 N3 S2, mfg=78.82, tgt=, overall=78.82 ]" "(169.98584, 3448.8806)(170.98654, 150.4475)(171.98204, 189.47153)" C5 H3 N3 S2 FindByFormula + 168.9786 0.85537505 C5 H4 N2 O4 S5 " [ C5 H4 N2 O4 S5, mfg=46.78, tgt=, overall=46.78 ]" "(316.88132, 2889.3215)(317.8817, 541.425)(318.8796, 388.04)" C5 H4 N2 O4 S5 FindByFormula + 315.8751 27.365166 C5 H4 N4 O " [ C5 H4 N4 O, mfg=82.85, tgt=, overall=82.85 ]" "(273.08524, 3914.7961)(274.08633, 679.796)(311.04166, 1090.5377)(295.06757, 59163.65)(296.06903, 6673.673)(297.06946, 600.935)(137.04659, 231928.0)(138.04948, 16170.59)(175.00291, 28146.627)(176.0059, 2227.2444)(177.00188, 3103.1685)(178.0013, 333.65335)(159.02824, 177466.47)(160.03093, 12306.384)(161.04, 252.05)" C5 H4 N4 O FindByFormula + 136.0394 1.1539642 C5 H4 N4 O - 1.0837393 " [ C5 H4 N4 O, mfg=74.30, tgt=, overall=74.30 ]" "(135.03276, 23575.459)(136.03549, 1553.2548)" C5 H4 N4 O - 1.0837393 FindByFormula - 136.0392 1.0837393 C5 H4 N4 O + 1.1132174 " [ C5 H4 N4 O, mfg=82.04, tgt=, overall=82.04 ]" "(273.08566, 2436.52)(274.0855, 430.61337)(311.04208, 1063.7001)(295.06732, 45266.92)(296.0687, 5563.3486)(297.06842, 654.06287)(137.04666, 230018.88)(138.04956, 16505.102)(175.00293, 31217.75)(176.00488, 1910.5256)(177.00157, 2527.5854)(178.0039, 321.77)(159.0283, 216528.06)(160.03091, 15008.542)(161.03015, 801.545)" C5 H4 N4 O + 1.1132174 FindByFormula + 136.039 1.1132174 C5 H4 N4 O2 " [ C5 H4 N4 O2, mfg=73.52, tgt=, overall=73.52 ]" "(151.02757, 18706.963)(152.03094, 1478.5479)" C5 H4 N4 O2 FindByFormula - 152.0348 1.129421 C5 H4 N4 O2 - 1.1250952 " [ C5 H4 N4 O2, mfg=73.57, tgt=, overall=73.57 ]" "(151.02756, 20819.385)(152.03099, 1622.5029)" C5 H4 N4 O2 - 1.1250952 FindByFormula - 152.0356 1.1250952 C5 H4 N4 O3 " [ C5 H4 N4 O3, mfg=72.58, tgt=, overall=72.58 ]" "(335.05344, 1318.3755)(336.05655, 533.61566)(167.02266, 17635.668)(168.02618, 1101.6616)" C5 H4 N4 O3 FindByFormula - 168.0306 1.0508261 C5 H5 N5 O S " [ C5 H5 N5 O S, mfg=68.84, tgt=, overall=68.84 ]" "(184.02847, 1722.7126)(185.02516, 124.965)" C5 H5 N5 O S FindByFormula + 183.0199 1.3692499 C5 H7 N O3 " [ C5 H7 N O3, mfg=81.55, tgt=, overall=81.55 ]" "(128.0363, 9134.448)(129.03839, 594.40204)" C5 H7 N O3 FindByFormula - 129.043 1.0937499 C5 H7 N O3 - 0.92559993 " [ C5 H7 N O3, mfg=73.21, tgt=, overall=73.21 ]" "(128.03691, 4876.914)(129.03844, 301.83398)" C5 H7 N O3 - 0.92559993 FindByFormula - 129.0449 0.92559993 C5 H8 O2 S " [ C5 H8 O2 S, mfg=94.55, tgt=, overall=94.55 ]" "(303.0191, 114.11001)(133.03255, 21481.96)(134.03522, 1718.8876)(135.02658, 954.51996)" C5 H8 O2 S FindByFormula + 132.0244 1.0681539 C5 H9 N O " [ C5 H9 N O, mfg=84.14, tgt=, overall=84.14 ]" "(221.1338, 70.94)(100.076485, 4904.279)(101.08033, 405.456)(122.05868, 12190.07)(123.05612, 835.7625)(124.056946, 290.535)" C5 H9 N O FindByFormula + 99.0689 1.9933333 C5 H9 N O2 " [ C5 H9 N O2, mfg=85.17, tgt=, overall=85.17 ]" "(231.13501, 312.733)(116.07123, 22344.025)(117.07443, 1435.9808)(138.05429, 1156.5005)" C5 H9 N O2 FindByFormula + 115.0636 0.9525171 C5 H9 N3 " [ C5 H9 N3, mfg=95.96, tgt=, overall=95.96 ]" "(112.08764, 14103.26)(113.08978, 964.8818)(114.0913, 217.035)(134.06795, 411.635)" C5 H9 N3 FindByFormula + 111.0798 0.7444118 C5 H9 N3 O4 " [ C5 H9 N3 O4, mfg=87.31, tgt=, overall=87.31 ]" "(351.1218, 1024.8778)(389.0777, 246.16)(373.10403, 1404.1332)(176.06537, 9816.775)(177.06714, 802.4608)(178.06497, 261.6331)" C5 H9 N3 O4 FindByFormula + 175.0583 1.275077 C5 H9 N3 O4 + 1.2904999 " [ C5 H9 N3 O4, mfg=66.94, tgt=, overall=66.94 ]" "(351.1156, 2180.845)(176.06364, 10057.814)(177.06775, 721.31)(178.08, 207.97)" C5 H9 N3 O4 + 1.2904999 FindByFormula + 175.0536 1.2904999 C5 H9 N5 O4 " [ C5 H9 N5 O4, mfg=76.22, tgt=, overall=76.22 ]" "(202.05771, 3160.415)(203.0605, 415.39)" C5 H9 N5 O4 FindByFormula - 203.0653 7.6800003 C50 H56 O3 S " [ C50 H56 O3 S, mfg=87.36, tgt=, overall=87.36 ]" "(737.40173, 2518.8574)(738.40784, 1213.09)(739.40967, 496.61996)" C50 H56 O3 S FindByFormula + 736.3986 20.5095 C50 H67 N5 " [ C50 H67 N5, mfg=90.11, tgt=, overall=90.11 ]" "(738.54517, 737.18)(739.55365, 427.245)(740.5532, 117.74)" C50 H67 N5 FindByFormula + 737.5403 23.936 C50 H96 O " [ C50 H96 O, mfg=58.60, tgt=, overall=58.60 ]" "(713.756, 2064.1)(714.7571, 1161.185)" C50 H96 O FindByFormula + 712.7518 7.943 C52 H52 N2 " [ C52 H52 N2, mfg=78.11, tgt=, overall=78.11 ]" "(705.4247, 6947.795)(706.4212, 4212.9697)(707.4343, 930.16)" C52 H52 N2 FindByFormula + 704.4109 7.585 C52 H66 N2 O " [ C52 H66 N2 O, mfg=86.93, tgt=, overall=86.93 ]" "(735.52606, 2895.5151)(736.5292, 1482.7)(737.5185, 478.53)" C52 H66 N2 O FindByFormula + 734.5206 21.904999 C55 H42 N2 " [ C55 H42 N2, mfg=91.46, tgt=, overall=91.46 ]" "(731.3417, 1833.275)(732.34424, 1163.7051)(733.3536, 314.925)" C55 H42 N2 FindByFormula + 730.3342 24.355999 C56 H14 " [ C56 H14, mfg=63.43, tgt=, overall=63.43 ]" "(687.1128, 7672.0356)(688.1141, 5655.596)(689.1185, 1746.8871)" C56 H14 FindByFormula + 686.1014 8.6474285 C56 H68 " [ C56 H68, mfg=66.93, tgt=, overall=66.93 ]" "(741.53503, 1272.3301)(742.55084, 719.04504)(743.54626, 413.86)" C56 H68 FindByFormula + 740.5313 26.583 C57 H8 N2 " [ C57 H8 N2, mfg=60.83, tgt=, overall=60.83 ]" "(721.07544, 1920.87)(722.0775, 1131.6001)" C57 H8 N2 FindByFormula + 720.076 7.917 C57 H9 N " [ C57 H9 N, mfg=52.60, tgt=, overall=52.60 ]" "(708.08655, 1275.2251)(709.07605, 809.64)" C57 H9 N FindByFormula + 707.0822 8.684 C6 Cl N O3 S " [ C6 Cl N O3 S, mfg=68.87, tgt=, overall=68.87 ]" "(201.93507, 6907.6772)(202.93654, 185.505)(203.93257, 1078.4325)" C6 Cl N O3 S FindByFormula + 200.9264 0.88275003 C6 H10 N2 O2 " [ C6 H10 N2 O2, mfg=94.56, tgt=, overall=94.56 ]" "(307.13785, 13666.219)(308.14075, 2236.1438)(309.14508, 303.7725)(143.08195, 7854.7646)(144.08293, 506.24765)(181.03734, 3504.1978)(182.04375, 394.31)(183.0432, 438.39)(165.06424, 93683.695)(166.06796, 7552.308)(167.07045, 786.755)" C6 H10 N2 O2 FindByFormula + 142.0746 8.672192 C6 H10 N8 " [ C6 H10 N8, mfg=81.57, tgt=, overall=81.57 ]" "(195.111, 23578.28)(196.11105, 2519.795)" C6 H10 N8 FindByFormula + 194.1039 1.7315 C6 H11 N O2 " [ C6 H11 N O2, mfg=78.60, tgt=, overall=78.60 ]" "(130.08748, 11435.919)(131.08943, 813.70905)" C6 H11 N O2 FindByFormula + 129.0796 0.7656452 C6 H11 N O2 + 0.8071818 " [ C6 H11 N O2, mfg=78.36, tgt=, overall=78.36 ]" "(130.0874, 10610.211)(131.08907, 842.0217)" C6 H11 N O2 + 0.8071818 FindByFormula + 129.08 0.8071818 C6 H11 N O3 S3 " [ C6 H11 N O3 S3, mfg=88.24, tgt=, overall=88.24 ]" "(241.99849, 4659.265)(243.0017, 478.06165)(243.99646, 713.95996)" C6 H11 N O3 S3 FindByFormula + 240.9914 1.9510001 C6 H12 N2 O9 S " [ C6 H12 N2 O9 S, mfg=91.79, tgt=, overall=91.79 ]" "(289.03357, 6877.9844)(290.03625, 942.5677)(291.03043, 458.46667)" C6 H12 N2 O9 S FindByFormula + 288.0256 2.3515558 C6 H12 N6 O3 " [ C6 H12 N6 O3, mfg=84.03, tgt=, overall=84.03 ]" "(217.10492, 5572.3076)(218.10747, 593.2483)" C6 H12 N6 O3 FindByFormula + 216.0978 2.3083887 C6 H12 O3 " [ C6 H12 O3, mfg=80.32, tgt=, overall=80.32 ]" "(131.07248, 7174.367)(132.07536, 537.6362)" C6 H12 O3 FindByFormula - 132.0791 7.4701247 C6 H12 O3 - 6.965 " [ C6 H12 O3, mfg=76.73, tgt=, overall=76.73 ]" "(131.07274, 1065.9366)(132.07536, 80.96333)" C6 H12 O3 - 6.965 FindByFormula - 132.0789 6.965 C6 H12 O3 - 6.965 :1 " [ C6 H12 O3, mfg=76.73, tgt=, overall=76.73 ]" "(131.07274, 1065.9366)(132.07536, 80.96333)" C6 H12 O3 - 6.965 :1 FindByFormula - 132.0812 6.965 C6 H12 O3 - 7.4658337 " [ C6 H12 O3, mfg=77.83, tgt=, overall=77.83 ]" "(131.0727, 3765.2969)(132.07552, 243.06334)" C6 H12 O3 - 7.4658337 FindByFormula - 132.0809 7.4658337 C6 H13 N O2 " [ C6 H13 N O2, mfg=90.38, tgt=, overall=90.38 ]" "(263.19278, 293.93)(132.10066, 711190.4)(133.10461, 40540.465)(134.10625, 3995.9617)(135.10513, 444.94498)(154.08197, 978.1433)" C6 H13 N O2 FindByFormula + 131.0942 1.2465262 C6 H13 N O2 + 1.087 " [ C6 H13 N O2, mfg=63.65, tgt=, overall=63.65 ]" "(132.09964, 430675.6)(133.10385, 25201.994)" C6 H13 N O2 + 1.087 FindByFormula + 131.0929 1.087 C6 H13 N O3 S " [ C6 H13 N O3 S, mfg=73.70, tgt=, overall=73.70 ]" "(178.05342, 5228.0425)(179.05652, 484.5875)" C6 H13 N O3 S FindByFormula - 179.0605 7.05225 C6 H2 Cl2 N4 " [ C6 H2 Cl2 N4, mfg=47.48, tgt=, overall=47.48 ]" "(200.97195, 5643.202)(201.9744, 1583.798)(202.97052, 1820.1394)(203.9718, 330.82)(238.92863, 355.38284)" C6 H2 Cl2 N4 FindByFormula + 199.965 27.144049 C6 H2 N2 S " [ C6 H2 N2 S, mfg=55.14, tgt=, overall=55.14 ]" "(135.00305, 1701.5951)(136.00781, 114.490005)" C6 H2 N2 S FindByFormula + 133.9957 1.4230001 C6 H2 O7 S3 " [ C6 H2 O7 S3, mfg=87.47, tgt=, overall=87.47 ]" "(282.9051, 3131.98)(283.90842, 198.37285)(284.9024, 463.85498)" C6 H2 O7 S3 FindByFormula + 281.8979 27.319714 C6 H2 O7 S3 + 27.503668 " [ C6 H2 O7 S3, mfg=72.56, tgt=, overall=72.56 ]" "(282.905, 9670.776)(283.90686, 426.74667)(284.90433, 616.70667)" C6 H2 O7 S3 + 27.503668 FindByFormula + 281.8979 27.503668 C6 H2 O7 S3 + 27.579908 " [ C6 H2 O7 S3, mfg=71.28, tgt=, overall=71.28 ]" "(282.90506, 5948.912)(283.90732, 310.75095)(284.89984, 249.78)" C6 H2 O7 S3 + 27.579908 FindByFormula + 281.8976 27.579908 C6 H2 O7 S3 + 28.149801 " [ C6 H2 O7 S3, mfg=73.18, tgt=, overall=73.18 ]" "(282.9054, 2044.5)(283.9079, 135.31)(284.90332, 141.69)" C6 H2 O7 S3 + 28.149801 FindByFormula + 281.8984 28.149801 C6 H2 O7 S3 + 28.21375 " [ C6 H2 O7 S3, mfg=61.31, tgt=, overall=61.31 ]" "(282.90527, 2577.854)(283.90726, 163.7175)(284.90982, 122.41333)" C6 H2 O7 S3 + 28.21375 FindByFormula + 281.8981 28.21375 C6 H2 O7 S3 + 28.6145 " [ C6 H2 O7 S3, mfg=69.52, tgt=, overall=69.52 ]" "(282.90448, 4450.015)(283.90704, 322.265)(284.90863, 172.55)" C6 H2 O7 S3 + 28.6145 FindByFormula + 281.8969 28.6145 C6 H3 Cl N2 O4 S2 " [ C6 H3 Cl N2 O4 S2, mfg=77.32, tgt=, overall=77.32 ]" "(266.92847, 1030.3539)(267.92877, 127.874)(268.92487, 533.862)" C6 H3 Cl N2 O4 S2 FindByFormula + 265.9212 0.43319997 C6 H3 Cl N2 O4 S2 + 0.71500003 " [ C6 H3 Cl N2 O4 S2, mfg=75.57, tgt=, overall=75.57 ]" "(266.9285, 2889.4888)(267.92972, 644.87006)(268.926, 1338.39)" C6 H3 Cl N2 O4 S2 + 0.71500003 FindByFormula + 265.9211 0.71500003 C6 H4 N2 O5 S2 " [ C6 H4 N2 O5 S2, mfg=71.36, tgt=, overall=71.36 ]" "(246.95094, 89978.836)(247.95352, 3725.3997)(248.9495, 4272.136)" C6 H4 N2 O5 S2 FindByFormula - 247.9584 9.349935 C6 H4 N2 O5 S2 - 9.3393345 " [ C6 H4 N2 O5 S2, mfg=78.54, tgt=, overall=78.54 ]" "(246.95006, 65020.547)(247.9525, 2729.3955)(248.95058, 2954.179)" C6 H4 N2 O5 S2 - 9.3393345 FindByFormula - 247.9567 9.3393345 C6 H4 N2 O5 S5 " [ C6 H4 N2 O5 S5, mfg=47.77, tgt=, overall=47.77 ]" "(344.87634, 19231.023)(345.87952, 1300.1213)(346.8772, 1055.8158)" C6 H4 N2 O5 S5 FindByFormula + 343.8685 27.31927 C6 H4 N2 O6 S " [ C6 H4 N2 O6 S, mfg=90.36, tgt=, overall=90.36 ]" "(232.98682, 6189.8203)(233.9871, 525.816)(234.9816, 482.7)" C6 H4 N2 O6 S FindByFormula + 231.9803 8.138 C6 H5 Cl N4 O S5 " [ C6 H5 Cl N4 O S5, mfg=47.62, tgt=, overall=47.62 ]" "(726.6935, 605.61395)(344.8761, 19115.43)(345.87927, 1322.7958)(346.87695, 1053.9443)(347.8877, 195.37666)(366.8648, 738.02)" C6 H5 Cl N4 O S5 FindByFormula + 343.8689 27.288502 C6 H5 Cl N4 O S5 + 27.484833 " [ C6 H5 Cl N4 O S5, mfg=47.62, tgt=, overall=47.62 ]" "(344.87552, 21739.89)(345.8782, 1353.9833)(346.87515, 1200.5166)(347.876, 207.07)(366.8648, 1037.88)" C6 H5 Cl N4 O S5 + 27.484833 FindByFormula + 343.868 27.484833 C6 H5 Cl O7 S2 " [ C6 H5 Cl O7 S2, mfg=47.61, tgt=, overall=47.61 ]" "(614.79614, 215.50221)(288.9226, 3656.9988)(289.9253, 209.92946)" C6 H5 Cl O7 S2 FindByFormula + 287.9158 0.5200526 C6 H5 N3 O " [ C6 H5 N3 O, mfg=71.15, tgt=, overall=71.15 ]" "(136.0497, 14144.124)(137.05843, 311.73)(138.0621, 561.64)(158.0333, 334.5)" C6 H5 N3 O FindByFormula + 135.0428 0.91033334 C6 H5 N5 " [ C6 H5 N5, mfg=86.37, tgt=, overall=86.37 ]" "(146.04745, 2315.1409)(147.04893, 151.972)" C6 H5 N5 FindByFormula - 147.0544 0.8566667 C6 H6 O2 " [ C6 H6 O2, mfg=75.52, tgt=, overall=75.52 ]" "(111.04325, 1786.335)(112.04815, 185.995)" C6 H6 O2 FindByFormula + 110.0362 3.189 C6 H7 N3 O2 " [ C6 H7 N3 O2, mfg=72.91, tgt=, overall=72.91 ]" "(154.05939, 15107.705)(155.0615, 1202.0801)(176.0412, 2196.05)" C6 H7 N3 O2 FindByFormula + 153.0517 0.88049996 C6 H9 N3 O5 S " [ C6 H9 N3 O5 S, mfg=91.70, tgt=, overall=91.70 ]" "(236.033, 3082.145)(237.0346, 372.93625)(238.03195, 280.12753)" C6 H9 N3 O5 S FindByFormula + 235.0254 4.9789996 C6 H9 N5 O2 S " [ C6 H9 N5 O2 S, mfg=89.39, tgt=, overall=89.39 ]" "(216.05481, 4684.8)(217.0539, 409.75497)(218.0512, 100.1)(254.0087, 213.81)(238.0372, 3796.53)" C6 H9 N5 O2 S FindByFormula + 215.0472 1.2465 C7 H10 N4 O4 S " [ C7 H10 N4 O4 S, mfg=68.01, tgt=, overall=68.01 ]" "(515.0749, 498.625)(247.04845, 1820.155)(248.0523, 326.58502)(269.0315, 3739.94)(270.02866, 339.765)" C7 H10 N4 O4 S FindByFormula + 246.0433 1.3945 C7 H10 N8 " [ C7 H10 N8, mfg=82.02, tgt=, overall=82.02 ]" "(207.11081, 11622.008)(208.11365, 1370.3997)" C7 H10 N8 FindByFormula + 206.103 3.053 C7 H11 Cl N2 O8 " [ C7 H11 Cl N2 O8, mfg=88.64, tgt=, overall=88.64 ]" "(285.0124, 6677.345)(286.0147, 887.115)(287.00928, 2622.575)" C7 H11 Cl N2 O8 FindByFormula - 286.019 10.048 C7 H11 N7 O2 " [ C7 H11 N7 O2, mfg=54.82, tgt=, overall=27.41 ]" "(226.10522, 4200.6626)(227.10321, 1015.2825)" C7 H11 N7 O2 FindByFormula + 225.0976 1.0175 C7 H13 N " [ C7 H13 N, mfg=84.91, tgt=, overall=84.91 ]" "(112.111465, 7430.751)(113.11414, 598.9937)" C7 H13 N FindByFormula + 111.1039 0.76437503 C7 H13 N + 0.71375006 " [ C7 H13 N, mfg=83.56, tgt=, overall=83.56 ]" "(112.11143, 5089.403)(113.11478, 525.21246)" C7 H13 N + 0.71375006 FindByFormula + 111.1045 0.71375006 C7 H13 N + 1.203 " [ C7 H13 N, mfg=76.92, tgt=, overall=76.92 ]" "(112.111824, 2169.64)(113.11451, 306.74332)" C7 H13 N + 1.203 FindByFormula + 111.1045 1.203 C7 H13 N + 1.3665 " [ C7 H13 N, mfg=86.63, tgt=, overall=86.63 ]" "(112.11177, 2546.35)(113.11478, 169.8875)" C7 H13 N + 1.3665 FindByFormula + 111.1055 1.3665 C7 H13 N5 O6 S " [ C7 H13 N5 O6 S, mfg=94.54, tgt=, overall=94.54 ]" "(296.0667, 16766.08)(297.0695, 1755.1215)(298.06482, 1470.4305)" C7 H13 N5 O6 S FindByFormula + 295.0603 0.7912273 C7 H13 N5 O6 S + 0.7912083 " [ C7 H13 N5 O6 S, mfg=95.10, tgt=, overall=95.10 ]" "(296.06668, 15586.133)(297.06937, 1636.6683)(298.0643, 1355.2867)" C7 H13 N5 O6 S + 0.7912083 FindByFormula + 295.0589 0.7912083 C7 H14 N2 S " [ C7 H14 N2 S, mfg=77.03, tgt=, overall=77.03 ]" "(159.09346, 19524.117)(160.09547, 819.3575)(161.09915, 418.93)(197.05176, 130.48001)" C7 H14 N2 S FindByFormula + 158.0859 1.1055001 C7 H15 N " [ C7 H15 N, mfg=87.23, tgt=, overall=87.23 ]" "(114.12766, 3994.5654)(115.130394, 364.87167)" C7 H15 N FindByFormula + 113.1203 22.373085 C7 H15 N + 20.496 " [ C7 H15 N, mfg=86.11, tgt=, overall=86.11 ]" "(114.12817, 4117.7534)(115.13058, 334.22)" C7 H15 N + 20.496 FindByFormula + 113.1208 20.496 C7 H15 N + 20.936 " [ C7 H15 N, mfg=78.90, tgt=, overall=78.90 ]" "(114.12799, 2206.0417)(115.12887, 228.33167)" C7 H15 N + 20.936 FindByFormula + 113.1205 20.936 C7 H15 N + 23.4935 " [ C7 H15 N, mfg=82.71, tgt=, overall=82.71 ]" "(114.127525, 661.735)(115.12895, 56.980003)" C7 H15 N + 23.4935 FindByFormula + 113.1201 23.4935 C7 H15 N O2 " [ C7 H15 N O2, mfg=73.41, tgt=, overall=73.41 ]" "(146.1185, 2779.4102)(147.11737, 317.79666)" C7 H15 N O2 FindByFormula + 145.1112 2.6163332 C7 H15 N O3 " [ C7 H15 N O3, mfg=98.69, tgt=, overall=98.69 ]" "(162.11295, 49867.727)(163.1162, 4116.691)(164.11644, 584.7579)" C7 H15 N O3 FindByFormula + 161.1055 0.9391538 C7 H15 N O3 + 0.95320827 " [ C7 H15 N O3, mfg=99.34, tgt=, overall=99.34 ]" "(162.11281, 50325.035)(163.11601, 4185.9893)(164.11703, 546.0779)" C7 H15 N O3 + 0.95320827 FindByFormula + 161.1054 0.95320827 C7 H16 N2 " [ C7 H16 N2, mfg=97.36, tgt=, overall=97.36 ]" "(129.13889, 13031.156)(130.14107, 1229.8165)(131.13808, 170.45857)" C7 H16 N2 FindByFormula + 128.1319 1.0439287 C7 H16 N2 + 0.7510834 " [ C7 H16 N2, mfg=96.22, tgt=, overall=96.22 ]" "(129.13902, 35293.785)(130.14107, 3741.295)(131.1448, 137.0)" C7 H16 N2 + 0.7510834 FindByFormula + 128.1313 0.7510834 C7 H16 N2 + 0.7701539 " [ C7 H16 N2, mfg=84.59, tgt=, overall=84.59 ]" "(129.13907, 34316.695)(130.14127, 3601.518)" C7 H16 N2 + 0.7701539 FindByFormula + 128.1324 0.7701539 C7 H16 N2 + 1.0046428 " [ C7 H16 N2, mfg=96.52, tgt=, overall=96.52 ]" "(129.13924, 16493.512)(130.14192, 1623.3392)(131.1382, 203.27748)" C7 H16 N2 + 1.0046428 FindByFormula + 128.1322 1.0046428 C7 H16 N2 + 1.3158001 " [ C7 H16 N2, mfg=84.87, tgt=, overall=84.87 ]" "(129.13864, 8089.1377)(130.14151, 937.54004)(151.1182, 160.56)" C7 H16 N2 + 1.3158001 FindByFormula + 128.1308 1.3158001 C7 H16 N2 + 1.317 " [ C7 H16 N2, mfg=96.96, tgt=, overall=96.96 ]" "(129.13878, 7658.7544)(130.14166, 782.84283)(131.13884, 144.45332)(151.1181, 235.33)" C7 H16 N2 + 1.317 FindByFormula + 128.1322 1.317 C7 H17 N O " [ C7 H17 N O, mfg=55.99, tgt=, overall=55.99 ]" "(132.13625, 9026.501)(133.13608, 349.30252)(170.09201, 884.0101)" C7 H17 N O FindByFormula + 131.1302 0.952375 C7 H17 N3 S " [ C7 H17 N3 S, mfg=41.08, tgt=, overall=41.08 ]" "(176.12326, 1311.5349)(177.13165, 195.375)" C7 H17 N3 S FindByFormula + 175.1167 0.982 C7 H19 N3 O5 S " [ C7 H19 N3 O5 S, mfg=92.55, tgt=, overall=92.55 ]" "(258.11044, 2743.209)(259.1131, 609.54004)(260.1159, 31.78)(296.06683, 17876.646)(297.06958, 1874.1829)(298.06418, 1683.7404)(280.09274, 7749.8096)(281.09457, 766.4847)" C7 H19 N3 O5 S FindByFormula + 257.1042 0.7905834 C7 H4 N2 O4 " [ C7 H4 N2 O4, mfg=81.33, tgt=, overall=81.33 ]" "(181.02356, 10715.66)(182.02704, 1196.09)" C7 H4 N2 O4 FindByFormula + 180.0138 8.974334 C7 H4 N4 O3 " [ C7 H4 N4 O3, mfg=40.76, tgt=, overall=40.76 ]" "(191.02095, 4286.66)(192.0326, 1032.28)" C7 H4 N4 O3 FindByFormula - 192.0281 0.97099996 C7 H4 N4 O6 S2 " [ C7 H4 N4 O6 S2, mfg=66.24, tgt=, overall=66.24 ]" "(304.96457, 5203.54)(305.9668, 614.99426)" C7 H4 N4 O6 S2 FindByFormula + 303.9565 8.953429 C7 H5 Cl N2 O2 S5 " [ C7 H5 Cl N2 O2 S5, mfg=47.62, tgt=, overall=47.62 ]" "(726.6918, 145.81)(344.87598, 18189.658)(345.87894, 1158.8195)(346.87698, 894.42596)(347.87622, 238.73001)(366.8645, 335.1)" C7 H5 Cl N2 O2 S5 FindByFormula + 343.8683 27.278963 C7 H6 N4 O S4 " [ C7 H6 N4 O S4, mfg=77.07, tgt=, overall=77.07 ]" "(288.93646, 3028.5378)(289.93784, 587.509)(290.9351, 536.2436)" C7 H6 N4 O S4 FindByFormula - 289.9437 27.25986 C7 H8 O " [ C7 H8 O, mfg=77.29, tgt=, overall=77.29 ]" "(107.05155, 11814.115)(108.05483, 968.8039)" C7 H8 O FindByFormula - 108.0588 8.1755 C7 H8 O - 8.194726 " [ C7 H8 O, mfg=76.50, tgt=, overall=76.50 ]" "(107.051605, 11634.084)(108.05488, 951.34174)" C7 H8 O - 8.194726 FindByFormula - 108.059 8.194726 C7 H9 N O2 " [ C7 H9 N O2, mfg=42.73, tgt=, overall=42.73 ]" "(140.069, 4620.4707)(141.0688, 767.4623)(178.02037, 660.98755)(162.05116, 1278.7772)(163.05638, 252.9175)" C7 H9 N O2 FindByFormula + 139.0619 0.96771425 C7 H9 N O2 + 0.9285555 " [ C7 H9 N O2, mfg=46.47, tgt=, overall=46.47 ]" "(140.06885, 5158.5034)(141.06796, 716.1145)" C7 H9 N O2 + 0.9285555 FindByFormula + 139.0603 0.9285555 C7 H9 N O2 + 1.5713334 " [ C7 H9 N O2, mfg=44.48, tgt=, overall=44.48 ]" "(140.06891, 891.74664)(141.06976, 151.99666)" C7 H9 N O2 + 1.5713334 FindByFormula + 139.0613 1.5713334 C-8 Ceramide-1-phosphate "C-8 Ceramide-1-phosphate [ C26 H52 N O6 P, db=66.20, tgt=, overall=66.20, CAS ID=158983-53-0, METLIN ID=63016 ]" 158983-53-0 "(528.34033, 17044.91)(529.3417, 5020.19)" C-8 Ceramide-1-phosphate FindByFormula + 527.3355 16.1465 C8 H10 N4 O4 " [ C8 H10 N4 O4, mfg=71.81, tgt=, overall=71.81 ]" "(475.13083, 348.4406)(227.0793, 7014.7124)(228.08232, 920.30035)(265.034, 1071.489)(249.06137, 8335.563)(250.06401, 1070.8121)" C8 H10 N4 O4 FindByFormula + 226.0723 4.440964 C8 H11 N3 O2 S " [ C8 H11 N3 O2 S, mfg=88.31, tgt=, overall=88.31 ]" "(214.06453, 6771.8574)(215.06778, 855.4875)(216.0625, 797.45746)" C8 H11 N3 O2 S FindByFormula + 213.0575 0.9575 C8 H12 N2 " [ C8 H12 N2, mfg=70.44, tgt=, overall=70.44 ]" "(137.10648, 16450.209)(138.1053, 1204.1201)" C8 H12 N2 FindByFormula + 136.0994 1.1523333 C8 H12 O3 S " [ C8 H12 O3 S, mfg=67.93, tgt=, overall=67.93 ]" "(187.04387, 3998.6702)(188.05054, 304.4469)" C8 H12 O3 S FindByFormula - 188.0518 1.0737692 C8 H15 N O5 " [ C8 H15 N O5, mfg=76.14, tgt=, overall=76.14 ]" "(206.10068, 4472.175)(207.10384, 435.27667)(228.08243, 838.2093)" C8 H15 N O5 FindByFormula + 205.0934 4.4413996 C8 H16 N6 O " [ C8 H16 N6 O, mfg=64.54, tgt=, overall=64.54 ]" "(213.14626, 2283.1067)(214.14917, 520.11005)" C8 H16 N6 O FindByFormula + 212.1388 10.287667 C8 H16 N8 O2 " [ C8 H16 N8 O2, mfg=66.07, tgt=, overall=66.07 ]" "(257.14896, 1192.525)(258.1449, 199.58499)" C8 H16 N8 O2 FindByFormula + 256.1413 0.9735 C8 H19 N5 O6 " [ C8 H19 N5 O6, mfg=63.41, tgt=, overall=63.41 ]" "(282.1408, 2560.435)(283.14438, 597.8975)" C8 H19 N5 O6 FindByFormula + 281.1347 10.133 C8 H22 N4 O4 " [ C8 H22 N4 O4, mfg=54.11, tgt=, overall=54.11 ]" "(239.16861, 2772.0552)(240.17114, 461.10498)" C8 H22 N4 O4 FindByFormula + 238.162 8.4645 C8 H4 N4 S " [ C8 H4 N4 S, mfg=97.46, tgt=, overall=97.46 ]" "(187.00815, 64891.945)(188.01091, 5568.0737)(189.00583, 3382.6013)(190.00867, 326.935)" C8 H4 N4 S FindByFormula - 188.0147 8.161 C8 H4 N4 S - 8.154834 " [ C8 H4 N4 S, mfg=97.50, tgt=, overall=97.50 ]" "(187.00836, 65705.98)(188.01128, 5630.967)(189.00566, 3098.7083)(190.00919, 305.76498)" C8 H4 N4 S - 8.154834 FindByFormula - 188.0159 8.154834 C8 H5 N5 S " [ C8 H5 N5 S, mfg=62.66, tgt=, overall=62.66 ]" "(407.06604, 992.9832)(204.03394, 3012.064)(205.03215, 517.368)" C8 H5 N5 S FindByFormula + 203.0268 1.9506 C8 H6 " [ C8 H6, mfg=74.62, tgt=, overall=74.62 ]" "(205.0988, 178.04)(103.054214, 7410.246)(104.05702, 690.084)(105.04364, 426.62402)" C8 H6 FindByFormula + 102.0469 1.9314 C8 H6 N2 O4 " [ C8 H6 N2 O4, mfg=77.17, tgt=, overall=77.17 ]" "(195.03915, 4702.8896)(196.03995, 406.375)" C8 H6 N2 O4 FindByFormula + 194.0333 9.7645 C8 H6 N4 O S " [ C8 H6 N4 O S, mfg=69.77, tgt=, overall=69.77 ]" "(207.03365, 3500.88)(208.03555, 640.76)" C8 H6 N4 O S FindByFormula + 206.0263 9.757999 C8 H6 N4 O2 S " [ C8 H6 N4 O2 S, mfg=98.48, tgt=, overall=98.48 ]" "(221.01381, 36237.117)(222.01578, 4218.672)(223.01341, 1900.1025)" C8 H6 N4 O2 S FindByFormula - 222.0205 1.1018928 C8 H6 N4 O2 S - 1.1027777 " [ C8 H6 N4 O2 S, mfg=98.23, tgt=, overall=98.23 ]" "(221.01402, 33944.363)(222.01593, 3971.5598)(223.01353, 1821.3124)" C8 H6 N4 O2 S - 1.1027777 FindByFormula - 222.0219 1.1027777 C8 H6 O " [ C8 H6 O, mfg=74.06, tgt=, overall=74.06 ]" "(237.08496, 262.24667)(119.04783, 10583.62)(120.05326, 949.29407)" C8 H6 O FindByFormula + 118.042 1.1556 C8 H7 N " [ C8 H7 N, mfg=70.31, tgt=, overall=70.31 ]" "(118.06648, 4018.4077)(119.06718, 476.24005)" C8 H7 N FindByFormula + 117.0593 4.3566003 C8 H7 N3 O4 " [ C8 H7 N3 O4, mfg=98.20, tgt=, overall=98.20 ]" "(210.05043, 34366.324)(211.05367, 3759.7285)(212.05687, 580.7777)" C8 H7 N3 O4 FindByFormula + 209.0436 1.9500002 C8 H8 N2 O2 " [ C8 H8 N2 O2, mfg=72.13, tgt=, overall=72.13 ]" "(165.0646, 5106.9004)(166.06534, 432.37)" C8 H8 N2 O2 FindByFormula + 164.0573 9.879 C8 H8 O " [ C8 H8 O, mfg=75.03, tgt=, overall=75.03 ]" "(121.065796, 3294.205)(122.06709, 371.94)" C8 H8 O FindByFormula + 120.058 1.183 C8 H8 O + 11.36375 " [ C8 H8 O, mfg=63.97, tgt=, overall=63.97 ]" "(121.063644, 1232.8076)(122.06735, 217.12)" C8 H8 O + 11.36375 FindByFormula + 120.0575 11.36375 C8 H8 O + 12.419333 " [ C8 H8 O, mfg=46.74, tgt=, overall=46.74 ]" "(121.06376, 1644.91)(122.064095, 313.54666)" C8 H8 O + 12.419333 FindByFormula + 120.0574 12.419333 C8 H9 N " [ C8 H9 N, mfg=99.32, tgt=, overall=99.32 ]" "(120.08109, 338905.7)(121.084206, 29767.316)(122.08679, 1306.7744)(123.0984, 53.24)(158.03731, 277.58334)" C8 H9 N FindByFormula + 119.0746 1.9496844 C8 H9 N + 6.6556664 " [ C8 H9 N, mfg=86.34, tgt=, overall=86.34 ]" "(120.08106, 1459.8033)(121.08447, 156.01332)" C8 H9 N + 6.6556664 FindByFormula + 119.0741 6.6556664 C8 H9 N + 8.062 " [ C8 H9 N, mfg=79.56, tgt=, overall=79.56 ]" "(120.08145, 1682.68)(121.0824, 162.055)" C8 H9 N + 8.062 FindByFormula + 119.0743 8.062 C8 H9 N + 8.429001 " [ C8 H9 N, mfg=78.93, tgt=, overall=78.93 ]" "(120.081406, 865.56)(121.081604, 73.09)" C8 H9 N + 8.429001 FindByFormula + 119.0739 8.429001 C8 H9 N O5 S " [ C8 H9 N O5 S, mfg=88.96, tgt=, overall=88.96 ]" "(230.01129, 10948.175)(231.01419, 893.29504)(232.00975, 724.735)" C8 H9 N O5 S FindByFormula - 231.019 2.6525002 C8 O5 S2 " [ C8 O5 S2, mfg=57.36, tgt=, overall=57.36 ]" "(240.92683, 2209.5566)(241.92241, 223.03833)" C8 O5 S2 FindByFormula + 239.9199 28.319834 C8 O5 S2 + 29.1525 " [ C8 O5 S2, mfg=55.62, tgt=, overall=55.62 ]" "(240.92715, 1050.88)(241.92221, 79.29)" C8 O5 S2 + 29.1525 FindByFormula + 239.9199 29.1525 C9 H10 Cl N5 S " [ C9 H10 Cl N5 S, mfg=68.04, tgt=, overall=68.04 ]" "(256.04297, 1440.0251)(257.0436, 374.42752)(258.04083, 440.77502)" C9 H10 Cl N5 S FindByFormula + 255.035 2.021 C9 H10 N4 O2 S3 " [ C9 H10 N4 O2 S3, mfg=73.53, tgt=, overall=73.53 ]" "(605.0088, 662.05)(303.00296, 4152.25)(304.00452, 1076.87)(305.00342, 933.885)" C9 H10 N4 O2 S3 FindByFormula + 301.9968 9.75325 C9 H10 O3 " [ C9 H10 O3, mfg=79.97, tgt=, overall=79.97 ]" "(165.05695, 6850.2466)(166.06024, 674.65894)" C9 H10 O3 FindByFormula - 166.0634 8.166222 C9 H10 O4 S " [ C9 H10 O4 S, mfg=92.33, tgt=, overall=92.33 ]" "(213.0215, 8897.45)(214.02475, 1089.55)(215.02216, 451.805)" C9 H10 O4 S FindByFormula - 214.0298 9.7335 C9 H10 O4 S - 9.718667 " [ C9 H10 O4 S, mfg=70.84, tgt=, overall=70.84 ]" "(213.02156, 7271.0234)(214.02428, 866.18335)" C9 H10 O4 S - 9.718667 FindByFormula - 214.0293 9.718667 C9 H11 N O2 " [ C9 H11 N O2, mfg=91.65, tgt=, overall=91.65 ]" "(164.07298, 23075.89)(165.07613, 2489.323)(166.07771, 304.72003)" C9 H11 N O2 FindByFormula - 165.0809 1.9286875 C9 H11 N O3 S " [ C9 H11 N O3 S, mfg=81.07, tgt=, overall=81.07 ]" "(214.05107, 3516.0078)(215.05283, 370.24802)(216.05191, 276.9278)(252.00761, 521.82336)(236.03293, 3693.1719)(237.03593, 432.29498)(238.03085, 287.905)" C9 H11 N O3 S FindByFormula + 213.043 4.9976997 C9 H11 N5 " [ C9 H11 N5, mfg=85.48, tgt=, overall=85.48 ]" "(188.09415, 2950.5276)(189.0973, 280.8267)" C9 H11 N5 FindByFormula - 189.1026 6.988 C9 H11 N5 S " [ C9 H11 N5 S, mfg=97.06, tgt=, overall=97.06 ]" "(220.06659, 4468.1816)(221.06921, 450.95334)(222.06429, 234.75334)" C9 H11 N5 S FindByFormula - 221.0745 6.6553326 C9 H12 N2 O2 S " [ C9 H12 N2 O2 S, mfg=85.54, tgt=, overall=85.54 ]" "(213.0689, 6785.4346)(214.06992, 388.36407)(215.06325, 372.68182)" C9 H12 N2 O2 S FindByFormula + 212.0616 11.846 C9 H12 N2 O2 S + 12.460501 " [ C9 H12 N2 O2 S, mfg=75.77, tgt=, overall=75.77 ]" "(213.0686, 2258.865)(214.0773, 98.615005)(215.0616, 99.42)" C9 H12 N2 O2 S + 12.460501 FindByFormula + 212.0608 12.460501 C9 H16 N2 O2 " [ C9 H16 N2 O2, mfg=97.51, tgt=, overall=97.51 ]" "(185.12836, 1147.5037)(223.08473, 796.1786)(207.11084, 9958.859)(208.11385, 1181.6859)(209.1189, 223.06201)" C9 H16 N2 O2 FindByFormula + 184.1217 3.0509999 C9 H16 O14 " [ C9 H16 O14, mfg=81.93, tgt=, overall=81.93 ]" "(347.04666, 2915.5999)(348.0509, 357.44998)" C9 H16 O14 FindByFormula - 348.0516 0.97033334 C9 H17 N O " [ C9 H17 N O, mfg=65.68, tgt=, overall=65.68 ]" "(156.1401, 1075.335)(157.1357, 177.465)" C9 H17 N O FindByFormula + 155.1321 1.809 C9 H17 N3 O2 S2 " [ C9 H17 N3 O2 S2, mfg=63.96, tgt=, overall=63.96 ]" "(264.08237, 2613.3252)(265.08267, 286.54498)(266.07492, 448.29834)" C9 H17 N3 O2 S2 FindByFormula + 263.0749 2.4593332 C9 H18 N2 O " [ C9 H18 N2 O, mfg=80.96, tgt=, overall=80.96 ]" "(171.14938, 3565.9172)(172.15154, 537.4375)" C9 H18 N2 O FindByFormula + 170.1424 0.77487504 C9 H18 N2 O3 " [ C9 H18 N2 O3, mfg=75.96, tgt=, overall=75.96 ]" "(201.1261, 5526.7437)(202.12866, 650.9167)" C9 H18 N2 O3 FindByFormula - 202.1335 1.8646666 C9 H18 N2 O4 " [ C9 H18 N2 O4, mfg=77.76, tgt=, overall=38.88 ]" "(219.13527, 8390.317)(220.13403, 952.39667)(221.1321, 414.3275)(241.11545, 4346.765)" C9 H18 N2 O4 FindByFormula + 218.1282 1.162 C9 H19 N O5 S " [ C9 H19 N O5 S, mfg=74.88, tgt=, overall=74.88 ]" "(252.09088, 2036.6088)(253.09406, 285.14874)" C9 H19 N O5 S FindByFormula - 253.0976 6.99225 C9 H2 N2 O4 " [ C9 H2 N2 O4, mfg=76.22, tgt=, overall=76.22 ]" "(203.00714, 3275.121)(204.01065, 310.14874)" C9 H2 N2 O4 FindByFormula + 202.0015 1.41975 C9 H2 N2 O9 S3 " [ C9 H2 N2 O9 S3, mfg=60.48, tgt=, overall=60.48 ]" "(378.8997, 6010.074)(379.90283, 458.98715)" C9 H2 N2 O9 S3 FindByFormula + 377.8936 0.76828575 C9 H2 O9 S3 " [ C9 H2 O9 S3, mfg=60.01, tgt=, overall=60.01 ]" "(350.89325, 1498.4343)(351.89487, 151.805)" C9 H2 O9 S3 FindByFormula + 349.886 0.38031253 C9 H2 O9 S3 + 0.65559995 " [ C9 H2 O9 S3, mfg=60.65, tgt=, overall=60.65 ]" "(350.89313, 4658.038)(351.8965, 363.244)" C9 H2 O9 S3 + 0.65559995 FindByFormula + 349.8858 0.65559995 C9 H2 O9 S3 + 27.542168 " [ C9 H2 O9 S3, mfg=77.67, tgt=, overall=77.67 ]" "(350.8921, 3938.8582)(351.89502, 250.21333)(352.8882, 295.48)" C9 H2 O9 S3 + 27.542168 FindByFormula + 349.8847 27.542168 C9 H2 O9 S3 + 28.202 " [ C9 H2 O9 S3, mfg=75.45, tgt=, overall=75.45 ]" "(350.8927, 2088.945)(351.89447, 133.36499)(352.89734, 169.425)" C9 H2 O9 S3 + 28.202 FindByFormula + 349.8854 28.202 C9 H20 N2 O " [ C9 H20 N2 O, mfg=98.77, tgt=, overall=98.77 ]" "(173.16524, 18306.684)(174.168, 2128.2065)(175.16997, 250.51001)(195.14693, 2507.304)(196.1476, 205.275)" C9 H20 N2 O FindByFormula + 172.1578 1.7085714 C9 H20 N2 O + 1.7165 " [ C9 H20 N2 O, mfg=98.38, tgt=, overall=98.38 ]" "(173.16501, 13353.635)(174.16742, 1509.663)(175.17197, 271.0643)(195.14651, 2414.1538)(196.14557, 341.35)" C9 H20 N2 O + 1.7165 FindByFormula + 172.1575 1.7165 C9 H20 N2 O + 1.74225 " [ C9 H20 N2 O, mfg=87.15, tgt=, overall=87.15 ]" "(173.16513, 29622.457)(174.16821, 3408.4023)" C9 H20 N2 O + 1.74225 FindByFormula + 172.1579 1.74225 C9 H20 N2 O + 2.133 " [ C9 H20 N2 O, mfg=83.49, tgt=, overall=83.49 ]" "(173.16464, 2495.465)(174.16895, 315.24)(195.1465, 382.08)" C9 H20 N2 O + 2.133 FindByFormula + 172.1574 2.133 C9 H20 N4 O4 " [ C9 H20 N4 O4, mfg=83.43, tgt=, overall=83.43 ]" "(249.15582, 24517.225)(250.15848, 3708.0815)(271.13687, 378.60336)" C9 H20 N4 O4 FindByFormula + 248.1503 1.0283333 C9 H21 N O3 " [ C9 H21 N O3, mfg=98.64, tgt=, overall=98.64 ]" "(192.15948, 16237.711)(193.16205, 1728.8037)(194.16069, 270.29776)(230.1174, 622.45776)(214.14055, 1078.8431)" C9 H21 N O3 FindByFormula + 191.1521 1.0045415 C9 H25 N5 " [ C9 H25 N5, mfg=43.59, tgt=, overall=43.59 ]" "(204.2213, 1835.875)(205.2273, 263.46002)" C9 H25 N5 FindByFormula + 203.2147 1.2065 C9 H3 Cl N2 O6 S2 " [ C9 H3 Cl N2 O6 S2, mfg=47.36, tgt=, overall=47.36 ]" "(690.813, 532.72)(334.91602, 1752.49)(335.91876, 711.165)(336.9135, 954.025)" C9 H3 Cl N2 O6 S2 FindByFormula + 333.9073 0.7005 C9 H4 N2 S5 " [ C9 H4 N2 S5, mfg=53.67, tgt=, overall=53.67 ]" "(300.90314, 4128.9272)(301.90167, 1032.6433)(302.90182, 748.51447)" C9 H4 N2 S5 FindByFormula + 299.896 27.20881 C9 H4 N2 S5 + 27.17278 " [ C9 H4 N2 S5, mfg=50.34, tgt=, overall=50.34 ]" "(300.9028, 3680.592)(301.90158, 972.78784)(302.90063, 705.546)" C9 H4 N2 S5 + 27.17278 FindByFormula + 299.8953 27.17278 C9 H4 N2 S5 + 27.206682 " [ C9 H4 N2 S5, mfg=52.55, tgt=, overall=52.55 ]" "(300.903, 3840.3784)(301.90158, 955.87524)(302.90192, 703.2748)" C9 H4 N2 S5 + 27.206682 FindByFormula + 299.8957 27.206682 C9 H6 N4 S " [ C9 H6 N4 S, mfg=76.41, tgt=, overall=76.41 ]" "(201.02379, 7292.6426)(202.02737, 690.3375)" C9 H6 N4 S FindByFormula - 202.0334 9.243 C9 H6 O " [ C9 H6 O, mfg=97.35, tgt=, overall=97.35 ]" "(299.0471, 106.65715)(283.0737, 219.66667)(131.04942, 17791.037)(132.0518, 1682.158)(133.05565, 255.0425)" C9 H6 O FindByFormula + 130.0424 1.950107 C9 H7 N3 O3 " [ C9 H7 N3 O3, mfg=79.26, tgt=, overall=79.26 ]" "(206.05547, 5524.7188)(207.05411, 665.365)(208.05574, 226.99)(244.01228, 575.0971)(228.03613, 485.4707)" C9 H7 N3 O3 FindByFormula + 205.0482 0.91969997 C9 H7 N3 O3 + 0.81657135 " [ C9 H7 N3 O3, mfg=82.68, tgt=, overall=82.68 ]" "(206.0555, 9988.022)(207.05397, 1151.5914)(208.05342, 235.37598)(244.0102, 645.90497)(228.03639, 589.8414)" C9 H7 N3 O3 + 0.81657135 FindByFormula + 205.0484 0.81657135 C9 H8 N4 O4 S2 " [ C9 H8 N4 O4 S2, mfg=92.32, tgt=, overall=92.32 ]" "(298.9915, 6927.2603)(299.9928, 1207.5452)(300.98978, 662.1889)" C9 H8 N4 O4 S2 FindByFormula - 299.9977 1.0970743 C9 H8 N4 O5 " [ C9 H8 N4 O5, mfg=71.53, tgt=, overall=71.53 ]" "(253.05655, 4619.935)(254.05751, 851.67)" C9 H8 N4 O5 FindByFormula + 252.049 1.96775 C9 H8 N6 O6 S " [ C9 H8 N6 O6 S, mfg=95.96, tgt=, overall=95.96 ]" "(679.0205, 235.68666)(329.0296, 2894.8516)(330.03177, 443.34167)(331.03043, 233.15666)(351.01077, 494.895)" C9 H8 N6 O6 S FindByFormula + 328.0246 1.1701666 C9 O S " [ C9 O S, mfg=46.93, tgt=, overall=46.93 ]" "(156.97496, 1766.7612)(157.97423, 195.02876)(158.96587, 668.3888)(178.95657, 483.9475)" C9 O S FindByFormula + 155.9679 0.503625 Cadiamine "Cadiamine [ C15 H26 N2 O3, db=81.27, tgt=, overall=81.27, CAS ID=58071-45-7, KEGG ID=C10756, METLIN ID=68553 ]" 58071-45-7 "(283.2043, 571.17)(305.18454, 4925.0547)(306.18817, 941.6616)" Cadiamine FindByFormula + C10756 282.1959 7.584833 Caffeoylcycloartenol "Caffeoylcycloartenol [ C39 H56 O4, db=84.68, tgt=, overall=84.68, CAS ID=75884-34-3, HMP ID=HMDB40807, METLIN ID=95271 ]" 75884-34-3 "(589.4272, 4693.409)(590.4307, 1630.892)(591.42865, 373.77353)" Caffeoylcycloartenol FindByFormula HMDB40807 + 588.4203 20.915352 Caffeoylcycloartenol + 20.925201 "Caffeoylcycloartenol [ C39 H56 O4, db=83.09, tgt=, overall=83.09, CAS ID=75884-34-3, HMP ID=HMDB40807, METLIN ID=95271 ]" 75884-34-3 "(589.42773, 4749.3877)(590.4307, 1711.2263)(591.43036, 493.47998)" Caffeoylcycloartenol + 20.925201 FindByFormula HMDB40807 + 588.4211 20.925201 Caffeoylcycloartenol + 20.97143 "Caffeoylcycloartenol [ C39 H56 O4, db=84.53, tgt=, overall=84.53, CAS ID=75884-34-3, HMP ID=HMDB40807, METLIN ID=95271 ]" 75884-34-3 "(589.42725, 5222.54)(590.4318, 1980.467)(591.4292, 532.44006)" Caffeoylcycloartenol + 20.97143 FindByFormula HMDB40807 + 588.4191 20.97143 Calafatimine "Calafatimine [ C38 H40 N2 O7, mfg=81.81, db=81.87, tgt=, overall=81.84, CAS ID=77793-42-1, KEGG ID=C09369, METLIN ID=67637 ]" 77793-42-1 "(637.28937, 2562.43)(638.2923, 957.17)(639.2912, 377.83667)" Calafatimine FindByFormula + C09369 636.2796 25.595667 Calafatimine - 7.1315 "Calafatimine [ C38 H40 N2 O7, db=69.51, tgt=, overall=69.51, CAS ID=77793-42-1, KEGG ID=C09369, METLIN ID=67637 ]" 77793-42-1 "(635.27515, 932.265)(636.2778, 348.0975)" Calafatimine - 7.1315 FindByFormula - C09369 636.2831 7.1315 Calafatimine - 7.194 "Calafatimine [ C38 H40 N2 O7, db=69.06, tgt=, overall=69.06, CAS ID=77793-42-1, KEGG ID=C09369, METLIN ID=67637 ]" 77793-42-1 "(635.2748, 690.015)(636.2784, 246.82501)" Calafatimine - 7.194 FindByFormula - C09369 636.2835 7.194 Calcimycin "Calcimycin [ C29 H37 N3 O6, db=53.36, tgt=, overall=53.36, CAS ID=52665-69-7, KEGG ID=C11309, METLIN ID=68980 ]" 52665-69-7 "(524.27466, 835.405)(525.2813, 530.065)" Calcimycin FindByFormula + C11309 523.2671 14.8685 Calcium-dependent antibiotic "Calcium-dependent antibiotic [ C67 H80 N14 O26, db=68.54, tgt=, overall=68.54, KEGG ID=C12024, METLIN ID=69261 ]" "(1497.5415, 16010.923)(1498.5443, 3940.0566)(1499.5479, 932.0967)(1519.5332, 912.9033)" Calcium-dependent antibiotic FindByFormula + C12024 1496.5376 9.8 Canaliculatol "Canaliculatol [ C42 H32 O9, db=71.97, tgt=, overall=71.97, CAS ID=114488-83-4, KEGG ID=C10249, METLIN ID=68198 ]" 114488-83-4 "(703.1955, 2260.142)(704.2009, 839.36)(705.1987, 494.43)" Canaliculatol FindByFormula + C10249 702.1898 13.7572 Canaliculatol + 13.571401 "Canaliculatol [ C42 H32 O9, db=66.36, tgt=, overall=66.36, CAS ID=114488-83-4, KEGG ID=C10249, METLIN ID=68198 ]" 114488-83-4 "(703.1951, 3582.912)(704.1962, 1415.258)" Canaliculatol + 13.571401 FindByFormula + C10249 702.1863 13.571401 Canaliculatol + 13.665112 "Canaliculatol [ C42 H32 O9, db=66.03, tgt=, overall=66.03, CAS ID=114488-83-4, KEGG ID=C10249, METLIN ID=68198 ]" 114488-83-4 "(681.2019, 1607.0645)(682.203, 776.80664)(683.2032, 467.28668)(703.1949, 2364.693)(704.1994, 981.6743)" Canaliculatol + 13.665112 FindByFormula + C10249 680.1909 13.665112 Candicidin D "Candicidin D [ C59 H84 N2 O18, db=58.66, tgt=, overall=58.66, CAS ID=39372-30-0, KEGG ID=C06690, METLIN ID=66494 ]" 39372-30-0 "(555.2943, 827.715)(555.7879, 324.865)(556.3004, 583.9)" Candicidin D FindByFormula + C06690 1108.5712 8.464001 Canthiumine "Canthiumine [ C33 H36 N4 O4, db=90.78, tgt=, overall=90.78, CAS ID=26195-90-4, KEGG ID=C10000, METLIN ID=68079 ]" 26195-90-4 "(551.26776, 14968.451)(552.27014, 5024.5)(553.27747, 1261.655)" Canthiumine FindByFormula - C10000 552.2734 10.6135 Capsaicin "Capsaicin [ C18 H27 N O3, db=66.73, tgt=, overall=66.73, CAS ID=404-86-4, Lipid ID=LMFA08020085, KEGG ID=C06866, HMP ID=HMDB02227, METLIN ID=43476, AGILENTID=3145 ]" 404-86-4 "(328.1877, 3337.938)(329.18683, 808.938)(366.14764, 356.53998)(350.17075, 1407.1024)(351.1654, 380.70334)" Capsaicin FindByFormula HMDB02227 + C06866 LMFA08020085 327.1812 3.5040002 Capsiamide "Capsiamide [ C17 H35 N O, db=78.48, tgt=, overall=78.48, CAS ID=64317-66-4, KEGG ID=C17515, METLIN ID=71748 ]" 64317-66-4 "(270.27884, 2375.0188)(271.28122, 580.43713)" Capsiamide FindByFormula + C17515 269.27 20.598713 Carbaprostacyclin-biotin "Carbaprostacyclin-biotin [ C36 H60 N4 O5 S, db=61.37, tgt=, overall=61.37, METLIN ID=45625 ]" "(661.43524, 877.43)(662.44006, 222.375)" Carbaprostacyclin-biotin FindByFormula + 660.4278 23.9275 Carbetapentane "Carbetapentane [ C20 H31 N O3, db=64.77, tgt=, overall=64.77, CAS ID=77-23-6, METLIN ID=43477 ]" 77-23-6 "(356.22003, 3042.992)(357.22006, 967.87)" Carbetapentane FindByFormula + 355.2108 9.9828 Cardiogenol C "Cardiogenol C [ C13 H16 N4 O2, db=69.10, tgt=, overall=69.10, CAS ID=671225-39-1, METLIN ID=64802 ]" 671225-39-1 "(283.11734, 2003.9387)(284.121, 487.79874)" Cardiogenol C FindByFormula + 282.1095 11.51875 Carmamycin A "Carmamycin A [ C25 H45 N3 O6 S, db=89.59, tgt=, overall=89.59, METLIN ID=65481 ]" "(516.312, 12275.826)(517.31177, 3604.5276)(518.3101, 1144.0859)(519.319, 208.1)(554.2756, 148.48)(538.2928, 1820.86)(539.2891, 82.9)(540.284, 342.12)" Carmamycin A FindByFormula + 515.3056 7.61775 Carnosifloside VI "Carnosifloside VI [ C48 H80 O18, db=21.22, tgt=, overall=21.22, CAS ID=109985-95-7, KEGG ID=C08792, METLIN ID=67209 ]" 109985-95-7 "(967.5216, 2392.585)(968.51794, 1275.9299)(969.50476, 577.1)" Carnosifloside VI FindByFormula + C08792 966.5134 10.3985 Carvedilol "Carvedilol [ C24 H26 N2 O4, db=65.52, tgt=, overall=65.52, CAS ID=72956-09-3, KEGG ID=C06875, HMP ID=HMDB15267, METLIN ID=1558 ]" 72956-09-3 "(407.1947, 5923.38)(408.2016, 2016.345)" Carvedilol FindByFormula HMDB15267 + C06875 406.1906 8.761999 Caryoptin "Caryoptin [ C26 H36 O9, db=50.55, tgt=, overall=50.55, CAS ID=50645-63-1, KEGG ID=C09070, METLIN ID=67402 ]" 50645-63-1 "(515.2272, 1457.015)(516.2218, 708.29)" Caryoptin FindByFormula + C09070 514.2168 1.272 Cassaidine "Cassaidine [ C24 H41 N O4, db=88.08, tgt=, overall=88.08, CAS ID=26296-41-3, KEGG ID=C08669, METLIN ID=67104 ]" 26296-41-3 "(430.2935, 6895.8184)(431.29575, 2145.9817)(432.30383, 586.00836)" Cassaidine FindByFormula + C08669 429.2862 10.301167 Castamollissin "Castamollissin [ C20 H20 O13, db=81.19, tgt=, overall=81.19, CAS ID=115355-99-2, HMP ID=HMDB38888, METLIN ID=93507 ]" 115355-99-2 "(469.09756, 21194.906)(470.1039, 5063.3667)(471.09885, 2428.0466)(472.0964, 323.44)(491.08252, 194.62)" Castamollissin FindByFormula HMDB38888 + 468.0896 1.2009999 Castillene B "Castillene B [ C19 H18 O4, db=99.71, tgt=, overall=99.71, Lipid ID=LMPK12130062, METLIN ID=52477 ]" "(309.11298, 49866.844)(310.11636, 10408.51)(311.11853, 1471.4976)" Castillene B FindByFormula - LMPK12130062 310.1211 11.615 Catechin pentabenzoate "Catechin pentabenzoate [ C50 H34 O11, db=63.63, tgt=, overall=63.63, CAS ID=191740-94-0, METLIN ID=44064 ]" 191740-94-0 "(1665.9296, 203.125)(1666.4305, 52.77)(833.2024, 2793.1892)(834.2061, 1417.3154)(835.21594, 734.59143)" Catechin pentabenzoate FindByFormula + 832.1934 1.943909 Caulerpin "Caulerpin [ C24 H18 N2 O4, db=86.37, tgt=, overall=86.37, CAS ID=26612-48-6, KEGG ID=C17097, METLIN ID=71556 ]" 26612-48-6 "(377.15192, 5776.0303)(378.16187, 2172.525)(415.10776, 719.21)(416.1148, 276.86)(399.1329, 9621.638)(400.14145, 2215.225)(401.13586, 483.865)" Caulerpin FindByFormula + C17097 376.1413 7.5119996 CAY10470 "CAY10470 [ C22 H22 N4 O, mfg=69.08, db=69.15, tgt=, overall=34.57, CAS ID=545380-34-5, METLIN ID=44946 ]" 545380-34-5 "(381.1676, 1724.8658)(382.16977, 586.6823)" CAY10470 FindByFormula + 380.1612 11.017096 CAY10580 "CAY10580 [ C19 H35 N O4, db=95.79, tgt=, overall=95.79, CAS ID=64054-40-6, METLIN ID=45720 ]" 64054-40-6 "(342.26456, 9644.052)(343.26822, 2007.4033)(344.27124, 534.59503)(364.24515, 1937.29)" CAY10580 FindByFormula + 341.2579 10.998333 CAY10580 + 10.967 "CAY10580 [ C19 H35 N O4, db=97.25, tgt=, overall=97.25, CAS ID=64054-40-6, METLIN ID=45720 ]" 64054-40-6 "(342.26447, 11017.352)(343.2679, 2280.0474)(344.26993, 562.27)(364.2448, 1317.205)" CAY10580 + 10.967 FindByFormula + 341.257 10.967 CAY10594 "CAY10594 [ C26 H28 N4 O2, db=82.29, tgt=, overall=82.29, CAS ID=1130067-34-3, METLIN ID=45492 ]" 1130067-34-3 "(427.21393, 2001.0226)(428.21716, 552.77747)" CAY10594 FindByFormula - 428.2228 11.985499 CAY10594 - 8.025001 "CAY10594 [ C26 H28 N4 O2, db=69.59, tgt=, overall=69.59, CAS ID=1130067-34-3, METLIN ID=45492 ]" 1130067-34-3 "(427.21445, 1602.41)(428.2145, 343.59668)" CAY10594 - 8.025001 FindByFormula - 428.2169 8.025001 CAY10625 "CAY10625 [ C25 H26 N4 O4, db=76.17, tgt=, overall=76.17, CAS ID=137346-42-0, METLIN ID=45600 ]" 137346-42-0 "(445.1891, 2158.46)(446.19357, 547.9875)" CAY10625 FindByFormula - 446.1943 9.555 CAY10625 - 9.9523325 "CAY10625 [ C25 H26 N4 O4, db=80.73, tgt=, overall=80.73, CAS ID=137346-42-0, METLIN ID=45600 ]" 137346-42-0 "(445.1874, 1145.5599)(446.1907, 300.08334)" CAY10625 - 9.9523325 FindByFormula - 446.1949 9.9523325 CAY10650 "CAY10650 [ C28 H25 N O6, db=56.10, tgt=, overall=56.10, CAS ID=1233706-88-1, METLIN ID=96446 ]" 1233706-88-1 "(472.1751, 1449.295)(473.1817, 693.37)" CAY10650 FindByFormula + 471.1698 11.127 CB-13 "CB-13 [ C26 H24 O2, db=73.86, tgt=, overall=73.86, CAS ID=432047-72-8, METLIN ID=64701 ]" 432047-72-8 "(391.16568, 1702.9219)(392.16742, 489.92798)" CB-13 FindByFormula + 390.1562 16.4618 CDP-DG(12:0/12:0) "CDP-DG(12:0/12:0) [ C36 H65 N3 O15 P2, db=84.74, tgt=, overall=84.74, Lipid ID=LMGP13010001, KEGG ID=C13891, METLIN ID=40957 ]" "(840.38306, 2031.8867)(841.383, 875.06)(842.3881, 412.6)" CDP-DG(12:0/12:0) FindByFormula - C13891 LMGP13010001 841.391 7.431333 CE(22:6) "CE(22:6) [ C49 H76 O2, db=74.72, tgt=, overall=74.72, Lipid ID=LMST01020019, METLIN ID=41714 ]" "(719.57086, 1294.475)(720.5755, 809.17)(721.5806, 386.345)" CE(22:6) FindByFormula + LMST01020019 718.5657 26.958 Cefditorin pivoxil "Cefditorin pivoxil [ C25 H28 N6 O7 S3, mfg=67.55, db=67.74, tgt=, overall=67.65, CAS ID=117467-28-4, METLIN ID=43981 ]" 117467-28-4 "(621.12256, 7088.565)(622.1255, 1975.0751)(623.12573, 456.015)(643.1006, 132.42)" Cefditorin pivoxil FindByFormula + 620.1139 1.296 Cefoperazone "Cefoperazone [ C25 H27 N9 O8 S2, db=99.43, tgt=, overall=99.43, CAS ID=62893-19-0, KEGG ID=D07645, HMP ID=HMDB15424, METLIN ID=3952 ]" 62893-19-0 "(1335.3969, 2840.6743)(1336.3333, 2153.4878)(1337.2487, 1847.6726)(687.1108, 6413.9263)(687.6078, 1908.2491)(688.11237, 4543.452)(688.60535, 600.57635)(689.1144, 1701.3489)(679.11725, 683.3075)(679.62164, 461.5225)(680.1131, 54.75)(1373.217, 1355.161)(1374.2163, 722.89905)(1375.2148, 912.4116)(1376.223, 240.03333)(698.0998, 1155.3988)(698.6059, 802.3025)(699.1004, 639.4014)(1357.2372, 12402.856)(1358.239, 8402.601)(1359.2335, 5724.448)(1360.2367, 3180.7366)(1361.2332, 1319.8589)(334.5655, 1613.6049)(335.06555, 650.77203)(335.5632, 640.9862)(668.132, 172623.95)(669.13477, 55732.31)(670.1321, 27209.998)(671.1329, 7221.493)(672.1285, 3200.5972)(706.0858, 3643.1555)(707.08563, 1445.2451)(708.0804, 1081.5056)(690.1137, 50523.812)(691.1166, 17390.8)(692.1145, 7650.1265)(693.1128, 2056.267)" Cefoperazone FindByFormula HMDB15424 + D07645 667.1229 8.662697 Cefoperazone + 8.669154 "Cefoperazone [ C25 H27 N9 O8 S2, db=99.75, tgt=, overall=99.75, CAS ID=62893-19-0, KEGG ID=D07645, HMP ID=HMDB15424, METLIN ID=3952 ]" 62893-19-0 "(1291.2773, 268.73)(1292.3005, 353.08)(1329.242, 6739.9014)(1330.252, 5076.494)(1331.2394, 4047.0266)(1332.2347, 2139.96)(1313.2727, 14034.217)(1314.2765, 9543.616)(1315.2717, 9604.089)(1316.2727, 4120.504)(1317.2734, 2162.5251)(646.1498, 14259.345)(647.15, 4614.4087)(648.14923, 2491.032)(649.15063, 739.0333)(684.1029, 16412.355)(685.1029, 5607.9375)(686.1101, 9367.74)(668.1316, 199401.42)(669.13416, 63601.11)(670.13153, 31010.416)(671.1325, 8145.9375)(672.1283, 3459.2664)" Cefoperazone + 8.669154 FindByFormula HMDB15424 + D07645 645.142 8.669154 Cer(d18:0/12:0) "Cer(d18:0/12:0) [ C30 H61 N O3, db=69.82, tgt=, overall=69.82, HMP ID=HMDB11758, METLIN ID=62472 ]" "(484.4704, 3107.575)(485.47345, 1086.535)" Cer(d18:0/12:0) FindByFormula HMDB11758 + 483.4637 20.5665 Cer(d18:0/14:0) "Cer(d18:0/14:0) [ C32 H65 N O3, db=91.36, tgt=, overall=91.36, Lipid ID=LMSP02020016, METLIN ID=53968 ]" "(512.5024, 6320.8706)(513.5048, 2405.06)(514.50714, 581.8486)" Cer(d18:0/14:0) FindByFormula + LMSP02020016 511.4956 22.313143 Cer(d18:0/14:0) + 22.313143 "Cer(d18:0/14:0) [ C32 H65 N O3, db=91.36, tgt=, overall=91.36, Lipid ID=LMSP02020016, METLIN ID=53968 ]" "(512.5024, 6320.8706)(513.5048, 2405.06)(514.50714, 581.8486)" Cer(d18:0/14:0) + 22.313143 FindByFormula + LMSP02020016 511.4959 22.313143 Cer(d18:0/16:0) "Cer(d18:0/16:0) [ C34 H69 N O3, db=92.00, tgt=, overall=92.00, Lipid ID=LMSP02020001, METLIN ID=41565 ]" "(540.5331, 8327.145)(541.53613, 3297.175)(542.5402, 769.20996)" Cer(d18:0/16:0) FindByFormula + LMSP02020001 539.5242 22.008999 Cer(d18:0/16:0) + 22.184 "Cer(d18:0/16:0) [ C34 H69 N O3, db=86.54, tgt=, overall=86.54, Lipid ID=LMSP02020001, METLIN ID=41565 ]" "(540.5337, 8945.255)(541.5365, 4268.425)(542.54114, 770.64996)" Cer(d18:0/16:0) + 22.184 FindByFormula + LMSP02020001 539.5271 22.184 Cer(d18:0/18:0) "Cer(d18:0/18:0) [ C36 H73 N O3, db=56.07, tgt=, overall=56.07, Lipid ID=LMSP02020008, METLIN ID=41566 ]" "(568.56354, 199.015)(569.56726, 98.955)" Cer(d18:0/18:0) FindByFormula + LMSP02020008 567.5572 26.864 Cer(d18:1/16:0) "Cer(d18:1/16:0) [ C34 H67 N O3, db=94.93, tgt=, overall=94.93, CAS ID=104404-17-3, Lipid ID=LMSP02010004, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=83706 ]" 104404-17-3 "(560.5018, 3871.338)(561.5029, 1563.8422)(562.5095, 374.14874)" Cer(d18:1/16:0) FindByFormula HMDB04949 + C00195 LMSP02010004 559.4936 24.096573 Cer(d18:1/16:0) + 20.727667 "Cer(d18:1/16:0) [ C34 H67 N O3, db=56.87, tgt=, overall=56.87, CAS ID=104404-17-3, Lipid ID=LMSP02010004, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=83706 ]" 104404-17-3 "(538.51715, 724.5833)(539.51953, 342.55667)" Cer(d18:1/16:0) + 20.727667 FindByFormula HMDB04949 + C00195 LMSP02010004 537.5089 20.727667 Cer(d18:1/16:0) + 22.502998 "Cer(d18:1/16:0) [ C34 H67 N O3, db=59.30, tgt=, overall=59.30, CAS ID=104404-17-3, Lipid ID=LMSP02010004, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=83706 ]" 104404-17-3 "(538.5181, 1438.7233)(539.517, 467.93335)" Cer(d18:1/16:0) + 22.502998 FindByFormula HMDB04949 + C00195 LMSP02010004 537.5116 22.502998 Cer(d18:1/16:0) + 24.036856 "Cer(d18:1/16:0) [ C34 H67 N O3, db=89.06, tgt=, overall=89.06, CAS ID=104404-17-3, Lipid ID=LMSP02010004, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=83706 ]" 104404-17-3 "(560.5023, 3680.684)(561.5033, 1654.0271)(562.5101, 462.17334)" Cer(d18:1/16:0) + 24.036856 FindByFormula HMDB04949 + C00195 LMSP02010004 559.496 24.036856 Cer(d18:1/16:0) + 24.068798 "Cer(d18:1/16:0) [ C34 H67 N O3, db=89.40, tgt=, overall=89.40, CAS ID=104404-17-3, Lipid ID=LMSP02010004, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=83706 ]" 104404-17-3 "(560.502, 3965.852)(561.503, 1767.252)(562.5101, 497.54)" Cer(d18:1/16:0) + 24.068798 FindByFormula HMDB04949 + C00195 LMSP02010004 559.4955 24.068798 Cer(d18:1/16:0) + 24.172335 "Cer(d18:1/16:0) [ C34 H67 N O3, mfg=92.34, db=93.44, tgt=, overall=46.72, CAS ID=104404-17-3, Lipid ID=LMSP02010004, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=83706 ]" 104404-17-3 "(560.5017, 3921.8875)(561.50323, 1485.4717)(562.5105, 435.81622)" Cer(d18:1/16:0) + 24.172335 FindByFormula HMDB04949 + C00195 LMSP02010004 559.4938 24.172335 Cer(d18:1/16:0) + 24.631668 "Cer(d18:1/16:0) [ C34 H67 N O3, db=84.49, tgt=, overall=84.49, CAS ID=104404-17-3, Lipid ID=LMSP02010004, KEGG ID=C00195, HMP ID=HMDB04949, METLIN ID=83706 ]" 104404-17-3 "(560.5036, 1535.4332)(561.5009, 696.55835)(562.50916, 147.38501)" Cer(d18:1/16:0) + 24.631668 FindByFormula HMDB04949 + C00195 LMSP02010004 559.4927 24.631668 Cer(t18:0/16:0(2OH)) "Cer(t18:0/16:0(2OH)) [ C34 H69 N O5, db=62.18, tgt=, overall=62.18, Lipid ID=LMSP02030015, METLIN ID=103029 ]" "(572.52423, 1406.825)(573.52686, 740.78)" Cer(t18:0/16:0(2OH)) FindByFormula + LMSP02030015 571.517 26.844 Cer(t18:0/16:0) "Cer(t18:0/16:0) [ C34 H69 N O4, db=68.19, tgt=, overall=68.19, Lipid ID=LMSP02030001, METLIN ID=53971 ]" "(556.52966, 1448.9299)(557.53345, 679.67)" Cer(t18:0/16:0) FindByFormula + LMSP02030001 555.5226 24.922 Cetirizine "Cetirizine [ C21 H25 Cl N2 O3, db=86.44, tgt=, overall=86.44, CAS ID=83881-51-0, KEGG ID=C07778, HMP ID=HMDB05032, METLIN ID=1641 ]" 83881-51-0 "(389.16345, 22764.594)(390.1662, 5583.215)(391.1622, 8229.95)(411.14575, 1191.52)" Cetirizine FindByFormula HMDB05032 + C07778 388.1548 9.924 Cevadine "Cevadine [ C32 H49 N O9, db=90.33, tgt=, overall=90.33, CAS ID=62-59-9, METLIN ID=43815 ]" 62-59-9 "(592.3428, 3145.201)(593.34973, 1249.7101)(594.3497, 840.7434)(630.3043, 8907.277)(631.3072, 2817.2063)(632.3083, 765.1491)" Cevadine FindByFormula + 591.3389 17.268335 Chaetoglobosin A "Chaetoglobosin A [ C32 H36 N2 O5, db=76.21, tgt=, overall=76.21, Lipid ID=LMPK11000003, METLIN ID=46772 ]" "(527.25525, 4317.37)(528.259, 1295.198)" Chaetoglobosin A FindByFormula - LMPK11000003 528.2604 13.706599 Chaetoglobosin A + 13.5515995 "Chaetoglobosin A [ C32 H36 N2 O5, db=49.14, tgt=, overall=49.14, Lipid ID=LMPK11000003, METLIN ID=46772 ]" "(1123.4778, 449.2467)(1124.4573, 436.845)(1125.4592, 309.79)(551.2524, 3709.0266)(552.25195, 1201.98)(553.2387, 772.48)(573.23895, 2839.5442)(574.2417, 1196.032)(575.243, 258.674)" Chaetoglobosin A + 13.5515995 FindByFormula + LMPK11000003 550.2473 13.5515995 Chinenoside VI "Chinenoside VI [ C44 H70 O19, db=67.45, tgt=, overall=67.45, CAS ID=200483-13-2, HMP ID=HMDB32692, METLIN ID=88630 ]" 200483-13-2 "(452.2412, 1674.1)(452.7395, 560.96)(453.2407, 306.5)(903.46106, 1704.325)(904.463, 2034.26)(905.466, 622.38)" Chinenoside VI FindByFormula HMDB32692 + 902.4511 7.079 Chloramphenicol alcohol "Chloramphenicol alcohol [ C11 H14 N2 O6, db=96.34, tgt=, overall=96.34, CAS ID=23885-72-5, METLIN ID=638 ]" 23885-72-5 "(293.07498, 16822.592)(294.07782, 2329.624)(295.07498, 617.03815)" Chloramphenicol alcohol FindByFormula + 292.0677 1.41025 Chloramphenicol alcohol + 1.4002173 "Chloramphenicol alcohol [ C11 H14 N2 O6, mfg=97.41, db=97.38, tgt=, overall=97.39, CAS ID=23885-72-5, METLIN ID=638 ]" 23885-72-5 "(563.1626, 314.44)(564.1505, 112.13)(271.09125, 1610.0524)(272.0926, 1577.0)(273.0873, 1424.62)(274.0921, 269.62)(309.04733, 5214.7964)(293.07486, 20378.154)(294.07785, 2800.687)(295.07498, 677.0047)" Chloramphenicol alcohol + 1.4002173 FindByFormula + 270.0844 1.4002173 Chlorophyll b "Chlorophyll b [ C55 H70 Mg N4 O6, db=71.86, tgt=, overall=71.86, CAS ID=519-62-0, KEGG ID=C05307, METLIN ID=3704 ]" 519-62-0 "(907.5224, 1249.77)(908.5237, 907.03)(909.531, 337.615)" Chlorophyll b FindByFormula + C05307 906.5149 21.916 "cholesta-5,7,8(14),22E-tetraen-3-one" "cholesta-5,7,8(14),22E-tetraen-3-one [ C27 H38 O, db=71.65, tgt=, overall=71.65, Lipid ID=LMST01010295, METLIN ID=83897 ]" "(401.28284, 1301.1901)(402.2826, 434.145)" "cholesta-5,7,8(14),22E-tetraen-3-one" FindByFormula + LMST01010295 400.2751 20.6545 cholesterol sulfate "cholesterol sulfate [ C27 H46 O4 S, db=65.81, tgt=, overall=65.81, CAS ID=1256-86-6, Lipid ID=LMST05020016, KEGG ID=C18043, HMP ID=HMDB00653, METLIN ID=5625 ]" 1256-86-6 "(465.3049, 2174.155)(466.30853, 796.245)" cholesterol sulfate FindByFormula HMDB00653 - C18043 LMST05020016 466.3127 26.9275 cholesterol sulfate - 26.653 "cholesterol sulfate [ C27 H46 O4 S, db=71.27, tgt=, overall=71.27, CAS ID=1256-86-6, Lipid ID=LMST05020016, KEGG ID=C18043, HMP ID=HMDB00653, METLIN ID=5625 ]" 1256-86-6 "(465.30457, 3892.455)(466.3079, 1095.06)" cholesterol sulfate - 26.653 FindByFormula HMDB00653 - C18043 LMST05020016 466.3131 26.653 cholesterol sulfate - 27.048334 "cholesterol sulfate [ C27 H46 O4 S, db=67.92, tgt=, overall=67.92, CAS ID=1256-86-6, Lipid ID=LMST05020016, KEGG ID=C18043, HMP ID=HMDB00653, METLIN ID=5625 ]" 1256-86-6 "(465.30478, 2475.1868)(466.30835, 846.39996)" cholesterol sulfate - 27.048334 FindByFormula HMDB00653 - C18043 LMST05020016 466.3133 27.048334 cholesterol sulfate - 27.14575 "cholesterol sulfate [ C27 H46 O4 S, db=77.39, tgt=, overall=77.39, CAS ID=1256-86-6, Lipid ID=LMST05020016, KEGG ID=C18043, HMP ID=HMDB00653, METLIN ID=5625 ]" 1256-86-6 "(465.30457, 2553.6775)(466.30844, 725.605)(467.3025, 537.32)(468.3011, 83.02)" cholesterol sulfate - 27.14575 FindByFormula HMDB00653 - C18043 LMST05020016 466.3103 27.14575 cholesterol sulfate - 27.381 "cholesterol sulfate [ C27 H46 O4 S, db=75.99, tgt=, overall=75.99, CAS ID=1256-86-6, Lipid ID=LMST05020016, KEGG ID=C18043, HMP ID=HMDB00653, METLIN ID=5625 ]" 1256-86-6 "(465.30267, 1089.41)(466.30573, 342.702)(467.2991, 169.29)" cholesterol sulfate - 27.381 FindByFormula HMDB00653 - C18043 LMST05020016 466.3103 27.381 Cholesteryl 11-hydroperoxy-eicosatetraenoate "Cholesteryl 11-hydroperoxy-eicosatetraenoate [ C47 H76 O4, db=69.46, tgt=, overall=69.46, Lipid ID=LMST01020029, METLIN ID=41724 ]" "(727.5651, 11291.371)(728.56604, 2953.7688)(729.57336, 649.6413)" Cholesteryl 11-hydroperoxy-eicosatetraenoate FindByFormula + LMST01020029 726.5551 26.816376 Cholic acid glucuronide "Cholic acid glucuronide [ C30 H48 O11, db=82.08, tgt=, overall=82.08, CAS ID=76060-22-5, Lipid ID=LMST05010044, KEGG ID=C03033, HMP ID=HMDB02577, METLIN ID=57962 ]" 76060-22-5 "(607.30975, 10166.153)(608.3114, 2232.2988)(609.31256, 330.97504)" Cholic acid glucuronide FindByFormula HMDB02577 + C03033 LMST05010044 606.3013 15.389 Chymostatin "Chymostatin [ C31 H41 N7 O6, mfg=54.15, db=54.18, tgt=, overall=54.16, CAS ID=9076-44-2, KEGG ID=C11308, METLIN ID=68979 ]" 9076-44-2 "(1215.6528, 459.79254)(1216.6482, 523.275)(1217.6508, 473.03)(1237.6233, 226.89)(608.32214, 23280.727)(609.3328, 7239.3325)(610.3323, 2092.0862)(646.2825, 258.38666)(630.30396, 11003.033)(631.30676, 3463.1748)(632.31024, 946.9642)(633.32355, 552.925)" Chymostatin FindByFormula + C11308 607.3159 17.254152 Ciclesonide "Ciclesonide [ C32 H44 O7, db=75.03, tgt=, overall=75.03, CAS ID=141845-82-1, HMP ID=HMDB15480, METLIN ID=85511 ]" 141845-82-1 "(539.3002, 1968.8534)(540.30273, 730.12335)(541.29785, 269.995)" Ciclesonide FindByFormula HMDB15480 - 540.3087 10.331 Cimifugin "Cimifugin [ C16 H18 O6, db=96.38, tgt=, overall=96.38, CAS ID=37921-38-3, KEGG ID=C09000, METLIN ID=67340 ]" 37921-38-3 "(307.11673, 21060.19)(308.12, 3487.2666)(309.1206, 630.01)" Cimifugin FindByFormula + C09000 306.1093 7.978 Cincassiol B "Cincassiol B [ C20 H32 O8, mfg=63.83, db=63.82, tgt=, overall=63.83, CAS ID=73599-13-0, HMP ID=HMDB36855, METLIN ID=91863 ]" 73599-13-0 "(839.39935, 132.02333)(401.215, 2409.855)(402.22665, 870.1875)(403.22232, 488.22498)(439.17212, 160.755)(423.1933, 546.505)" Cincassiol B FindByFormula HMDB36855 + 400.2072 1.3345001 Cinegalline "Cinegalline [ C23 H30 N2 O6, db=49.14, tgt=, overall=49.14, CAS ID=20772-38-7, KEGG ID=C10762, METLIN ID=68558 ]" 20772-38-7 "(453.19778, 2673.1567)(454.19376, 767.78)" Cinegalline FindByFormula + C10762 452.1911 2.702 Cinnamyl benzoate "Cinnamyl benzoate [ C16 H14 O2, db=66.96, tgt=, overall=66.96, CAS ID=50555-04-9, HMP ID=HMDB29700, METLIN ID=86431 ]" 50555-04-9 "(237.09311, 4238.502)(238.0946, 402.39398)(239.08855, 297.19)" Cinnamyl benzoate FindByFormula HMDB29700 - 238.0996 1.3539999 Cinnzeylanol "Cinnzeylanol [ C20 H32 O7, db=75.36, tgt=, overall=75.36, CAS ID=62394-04-1, HMP ID=HMDB36010, METLIN ID=91189 ]" 62394-04-1 "(407.20438, 4099.435)(408.20462, 1004.7783)(429.1889, 311.53)" Cinnzeylanol FindByFormula HMDB36010 + 406.1939 17.5165 Cinnzeylanol + 17.512001 "Cinnzeylanol [ C20 H32 O7, db=78.18, tgt=, overall=78.18, CAS ID=62394-04-1, HMP ID=HMDB36010, METLIN ID=91189 ]" 62394-04-1 "(385.222, 1747.8)(407.2039, 5801.1953)(408.20575, 1470.695)" Cinnzeylanol + 17.512001 FindByFormula HMDB36010 + 384.2155 17.512001 Ciprofloxacin "Ciprofloxacin [ C17 H18 F N3 O3, db=97.29, tgt=, overall=97.29, CAS ID=85721-33-1, KEGG ID=C05349, HMP ID=HMDB14677, METLIN ID=1772 ]" 85721-33-1 "(685.2603, 1826.12)(686.2604, 775.29)(166.5761, 1775.4567)(167.07625, 381.81335)(332.1414, 187148.27)(333.14453, 36953.883)(334.14728, 5314.296)(335.1484, 666.87)(370.098, 5079.0566)(354.12338, 69746.74)(355.12643, 14341.427)(356.12927, 2206.544)" Ciprofloxacin FindByFormula HMDB14677 + C05349 331.1347 7.6010003 Ciprofloxacin + 7.6043997 "Ciprofloxacin [ C17 H18 F N3 O3, db=95.38, tgt=, overall=95.38, CAS ID=85721-33-1, KEGG ID=C05349, HMP ID=HMDB14677, METLIN ID=1772 ]" 85721-33-1 "(354.1236, 69869.766)(355.12656, 14570.553)(356.13043, 2060.5698)(376.1058, 1420.166)" Ciprofloxacin + 7.6043997 FindByFormula HMDB14677 + C05349 353.1164 7.6043997 "cis,cis-3,6-Dodecadienoyl-CoA" "cis,cis-3,6-Dodecadienoyl-CoA [ C33 H54 N7 O17 P3 S, db=54.26, tgt=, overall=54.26, KEGG ID=C05280, HMP ID=HMDB03952, METLIN ID=58193 ]" "(946.2576, 2090.2441)(947.25635, 1423.2)(948.2538, 908.43396)(968.24884, 843.375)" "cis,cis-3,6-Dodecadienoyl-CoA" FindByFormula HMDB03952 + C05280 945.2543 1.9434 cis-4-octenedioic acid "cis-4-octenedioic acid [ C8 H12 O4, mfg=94.02, db=94.02, tgt=, overall=94.02, Lipid ID=LMFA01170078, METLIN ID=45920 ]" "(173.08089, 5360.9463)(174.08331, 666.2051)(175.08612, 135.335)(211.0384, 533.01)(195.06282, 3653.1306)(196.06693, 468.471)(197.06934, 84.356)" cis-4-octenedioic acid FindByFormula + LMFA01170078 172.0738 2.981857 "cis-9,10-Epoxystearic acid" "cis-9,10-Epoxystearic acid [ C18 H34 O3, db=74.79, tgt=, overall=74.79, CAS ID=2443-39-2, Lipid ID=LMFA02000001, KEGG ID=C19418, METLIN ID=36008 ]" 2443-39-2 "(299.25742, 1574.7318)(300.2652, 397.008)(321.23917, 2540.0618)(322.24225, 668.796)" "cis-9,10-Epoxystearic acid" FindByFormula + C19418 LMFA02000001 298.2507 18.203165 cis-Ferulic acid [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester "cis-Ferulic acid [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester [ C27 H38 O18, db=60.91, tgt=, overall=60.91, CAS ID=, HMP ID=HMDB34682, METLIN ID=90133 ]" "(651.2149, 3688.0625)(652.2185, 1483.81)" cis-Ferulic acid [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester FindByFormula HMDB34682 + 650.2067 24.26975 cis-Zeatin "cis-Zeatin [ C10 H13 N5 O, db=97.61, tgt=, overall=97.61, CAS ID=, KEGG ID=C15545, METLIN ID=64074 ]" "(477.1805, 271.59)(220.11873, 3091.4917)(221.11972, 380.9823)(258.06992, 3055.023)(259.0701, 280.03)(242.10098, 16402.527)(243.10385, 1831.258)(244.10243, 338.27112)" cis-Zeatin FindByFormula + C15545 219.1114 2.4673336 Citranaxanthin "Citranaxanthin [ C33 H44 O, db=81.20, tgt=, overall=81.20, CAS ID=3604-90-8, HMP ID=HMDB36883, METLIN ID=91883 ]" 3604-90-8 "(457.3475, 3925.3767)(458.3509, 1024.1824)(459.34796, 271.30844)" Citranaxanthin FindByFormula HMDB36883 + 456.3402 21.200693 Citranaxanthin + 21.18091 "Citranaxanthin [ C33 H44 O, db=81.18, tgt=, overall=81.18, CAS ID=3604-90-8, HMP ID=HMDB36883, METLIN ID=91883 ]" 3604-90-8 "(457.34814, 3519.8452)(458.35202, 977.6254)(459.35037, 271.88818)" Citranaxanthin + 21.18091 FindByFormula HMDB36883 + 456.3411 21.18091 Citronellyl beta-sophoroside "Citronellyl beta-sophoroside [ C22 H40 O11, db=97.03, tgt=, overall=97.03, CAS ID=209681-41-4, HMP ID=HMDB32839, METLIN ID=88759 ]" 209681-41-4 "(481.26404, 47975.96)(482.2664, 11765.418)(483.26614, 2394.912)(484.28125, 229.59999)" Citronellyl beta-sophoroside FindByFormula HMDB32839 + 480.2537 7.7094736 Clarithromycin "Clarithromycin [ C38 H69 N O13, db=48.20, tgt=, overall=48.20, CAS ID=81103-11-9, Lipid ID=LMPK04000014, KEGG ID=C06912, HMP ID=HMDB15342, METLIN ID=1786 ]" 81103-11-9 "(770.46716, 14545.516)(771.46063, 7539.9053)" Clarithromycin FindByFormula HMDB15342 + C06912 LMPK04000014 769.4607 7.1165 Clo?sone butyrate "Clo?sone butyrate [ C26 H32 Cl F O5, db=41.09, tgt=, overall=41.09, CAS ID=25122-57-0, METLIN ID=1868 ]" 25122-57-0 "(479.1991, 909.315)(480.19534, 290.47)" Clo?sone butyrate FindByFormula + 478.1894 20.642502 Clocapramine "Clocapramine [ C28 H37 Cl N4 O, db=48.53, tgt=, overall=48.53, CAS ID=47739-98-0, KEGG ID=D07718, METLIN ID=69511 ]" 47739-98-0 "(481.2727, 3525.19)(482.28033, 1042.36)(483.2845, 316.065)" Clocapramine FindByFormula + D07718 480.2679 12.285 Cloethocarb "Cloethocarb [ C11 H14 Cl N O4, db=71.80, tgt=, overall=71.80, CAS ID=51487-69-5, KEGG ID=C18951, METLIN ID=72711 ]" 51487-69-5 "(282.05, 2314.09)(283.0522, 132.525)(284.0459, 351.18)" Cloethocarb FindByFormula + C18951 281.0426 2.023 Cloversaponin I "Cloversaponin I [ C36 H56 O9, db=83.78, tgt=, overall=83.78, CAS ID=143519-22-6, HMP ID=HMDB39892, METLIN ID=94436 ]" 143519-22-6 "(655.38116, 88038.92)(656.3842, 33532.88)(657.38257, 14511.349)" Cloversaponin I FindByFormula HMDB39892 + 654.3754 17.11575 Cloversaponin I + 10.8405 "Cloversaponin I [ C36 H56 O9, db=93.87, tgt=, overall=93.87, CAS ID=143519-22-6, HMP ID=HMDB39892, METLIN ID=94436 ]" 143519-22-6 "(655.38135, 13680.455)(656.38367, 5495.775)(657.39233, 1636.04)(658.4002, 263.845)" Cloversaponin I + 10.8405 FindByFormula HMDB39892 + 654.3742 10.8405 CMP "CMP [ C9 H14 N3 O8 P, db=58.21, tgt=, overall=58.21, CAS ID=63-37-6, Lipid ID=, KEGG ID=C00055, HMP ID=HMDB00095, METLIN ID=3452, AGILENTID=6567 ]" 63-37-6 "(324.059, 2686.8835)(325.06042, 503.0133)(326.05774, 528.73663)" CMP FindByFormula HMDB00095 + C00055 323.0528 2.1283333 Coagulin R 3-glucoside "Coagulin R 3-glucoside [ C34 H48 O11, db=83.63, tgt=, overall=83.63, CAS ID=221695-66-5, HMP ID=HMDB33207, METLIN ID=89077 ]" 221695-66-5 "(631.31274, 4816.56)(632.3177, 1501.335)(633.313, 596.78)" Coagulin R 3-glucoside FindByFormula HMDB33207 - 632.3241 9.037001 Collettiside I "Collettiside I [ C34 H56 O8, db=93.06, tgt=, overall=93.06, Lipid ID=LMST01080092, METLIN ID=84243 ]" "(591.3888, 6097.9204)(592.391, 2299.106)(593.3942, 544.334)" Collettiside I FindByFormula - LMST01080092 592.3976 24.284 Compound III(S) "Compound III(S) [ C22 H30 N2 O3, db=82.27, tgt=, overall=82.27, KEGG ID=C06495, METLIN ID=66417 ]" "(393.2154, 2215.29)(394.2208, 636.265)(395.2201, 240.19)(415.19873, 1666.8201)(416.2035, 204.54)" Compound III(S) FindByFormula + C06495 392.2077 7.74 Compound IV "Compound IV [ C20 H26 N2 O3, db=2.38, tgt=, overall=2.38, KEGG ID=C06496, METLIN ID=66418 ]" "(343.2012, 2627.34)(343.70218, 1128.602)(344.19415, 470.585)(685.3917, 1608.39)(686.3933, 535.31)(687.3829, 347.5)(708.385, 741.5)" Compound IV FindByFormula + C06496 684.3908 2.9208 Convallamaroside "Convallamaroside [ C57 H94 O27, db=55.94, tgt=, overall=55.94, CAS ID=52591-05-6, KEGG ID=C08892, METLIN ID=67249 ]" 52591-05-6 "(628.2876, 3004.085)(628.77856, 421.655)(629.29236, 818.67)" Convallamaroside FindByFormula + C08892 1254.561 15.046 Coproporphyrin "Coproporphyrin [ C36 H44 N4 O8, db=91.38, tgt=, overall=91.38, CAS ID=27121-71-7, KEGG ID=C03263, METLIN ID=80 ]" 27121-71-7 "(639.33875, 8037.6396)(640.34644, 3842.255)(641.3402, 1394.53)(677.29175, 2473.91)(678.2864, 1102.01)(679.29504, 379.82)(661.32324, 9579.97)(662.3255, 3957.165)(663.32306, 1107.68)" Coproporphyrin FindByFormula + C03263 638.3363 10.1525 Corchorusoside D "Corchorusoside D [ C35 H54 O14, db=79.84, tgt=, overall=79.84, CAS ID=210637-18-6, HMP ID=HMDB33085, METLIN ID=88977 ]" 210637-18-6 "(699.36, 20073.066)(700.36176, 9304.749)(701.3629, 4667.725)(702.3626, 1601.5869)(703.353, 532.09)" Corchorusoside D FindByFormula HMDB33085 + 698.3515 18.292347 Cortisone "Cortisone [ C21 H28 O5, db=83.02, tgt=, overall=83.02, CAS ID=53-06-5, Lipid ID=LMST02030090, KEGG ID=C00762, HMP ID=HMDB02802, METLIN ID=271, AGILENTID=4286 ]" 53-06-5 "(361.20102, 6235.11)(362.2044, 1552.9539)" Cortisone FindByFormula HMDB02802 + C00762 LMST02030090 360.193 9.556399 Cortolone-3-glucuronide "Cortolone-3-glucuronide [ C27 H42 O11, db=75.57, tgt=, overall=75.57, CAS ID=56162-46-0, KEGG ID=C03033, HMP ID=HMDB10320, METLIN ID=61643 ]" 56162-46-0 "(541.26666, 2045.905)(542.2698, 594.14)" Cortolone-3-glucuronide FindByFormula HMDB10320 - C03033 542.2783 9.0585 coumarin-SAHA "coumarin-SAHA [ C18 H22 N2 O5, db=92.39, tgt=, overall=92.39, METLIN ID=64949 ]" "(693.3177, 572.16)(347.1589, 6742.363)(348.16385, 1547.9451)(349.1623, 189.23)(369.1386, 966.13)" coumarin-SAHA FindByFormula + 346.1524 8.29175 coumarin-SAHA + 8.4244995 "coumarin-SAHA [ C18 H22 N2 O5, db=71.54, tgt=, overall=71.54, METLIN ID=64949 ]" "(687.2811, 212.09)(327.1702, 2092.82)(363.13245, 3206.81)(364.133, 1246.2)(347.1591, 6263.97)(348.1672, 1558.99)" coumarin-SAHA + 8.4244995 FindByFormula + 324.1681 8.4244995 "CPA(18:2(9Z,12Z)/0:0)" "CPA(18:2(9Z,12Z)/0:0) [ C21 H37 O6 P, db=74.81, tgt=, overall=74.81, HMP ID=HMDB07007, METLIN ID=58642 ]" "(415.2255, 1804.39)(416.22595, 467.8775)" "CPA(18:2(9Z,12Z)/0:0)" FindByFormula HMDB07007 - 416.2331 7.80875 "CPA(18:2(9Z,12Z)/0:0) - 7.80875" "CPA(18:2(9Z,12Z)/0:0) [ C21 H37 O6 P, db=74.81, tgt=, overall=74.81, HMP ID=HMDB07007, METLIN ID=58642 ]" "(415.2255, 1804.39)(416.22595, 467.8775)" "CPA(18:2(9Z,12Z)/0:0) - 7.80875" FindByFormula HMDB07007 - 416.2333 7.80875 Creatine "Creatine [ C4 H9 N3 O2, db=86.28, tgt=, overall=86.28, CAS ID=57-00-1, KEGG ID=C00300, HMP ID=HMDB00064, METLIN ID=7, AGILENTID=5827 ]" 57-00-1 "(345.06787, 504.52002)(154.05911, 12810.454)(155.06029, 766.94037)(176.03992, 2595.783)" Creatine FindByFormula HMDB00064 + C00300 153.0518 0.90232146 Creatine + 1.2946666 "Creatine [ C4 H9 N3 O2, db=71.00, tgt=, overall=71.00, CAS ID=57-00-1, KEGG ID=C00300, HMP ID=HMDB00064, METLIN ID=7, AGILENTID=5827 ]" 57-00-1 "(154.05922, 1788.2334)(155.05821, 188.84499)(192.0173, 204.07)" Creatine + 1.2946666 FindByFormula HMDB00064 + C00300 153.0525 1.2946666 Cryptophycin 1 "Cryptophycin 1 [ C35 H43 Cl N2 O8, db=58.54, tgt=, overall=58.54, CAS ID=124689-65-2, KEGG ID=C16877, METLIN ID=71402 ]" 124689-65-2 "(655.27795, 2049.15)(656.2817, 984.07245)(657.2639, 589.84)" Cryptophycin 1 FindByFormula + C16877 654.2709 10.7765 Cuauchichicine "Cuauchichicine [ C22 H33 N O2, db=81.39, tgt=, overall=81.39, CAS ID=545-60-8, KEGG ID=C08672, METLIN ID=67107 ]" 545-60-8 "(342.24295, 2046.1699)(343.2459, 452.3725)" Cuauchichicine FindByFormula - C08672 343.2504 7.96125 Cucurbitacin P "Cucurbitacin P [ C30 H48 O7, db=89.55, tgt=, overall=89.55, Lipid ID=LMST01010114, KEGG ID=C08804, METLIN ID=41677 ]" "(521.34485, 20221.914)(522.3486, 7307.908)(523.3499, 1269.4467)(524.3664, 446.49)" Cucurbitacin P FindByFormula + C08804 LMST01010114 520.3384 18.299198 Cucurbitacin P + 18.285933 "Cucurbitacin P [ C30 H48 O7, db=89.66, tgt=, overall=89.66, Lipid ID=LMST01010114, KEGG ID=C08804, METLIN ID=41677 ]" "(521.3449, 19727.47)(522.3486, 7175.343)(523.35004, 1266.762)(524.36475, 508.0167)" Cucurbitacin P + 18.285933 FindByFormula + C08804 LMST01010114 520.3383 18.285933 Cucurbitacin P + 18.68 "Cucurbitacin P [ C30 H48 O7, db=82.93, tgt=, overall=82.93, Lipid ID=LMST01010114, KEGG ID=C08804, METLIN ID=41677 ]" "(521.3449, 19250.756)(522.34875, 5778.2007)(523.34955, 2132.0078)(524.3654, 487.68597)" Cucurbitacin P + 18.68 FindByFormula + C08804 LMST01010114 520.3389 18.68 Cucurbitacin P + 18.681715 "Cucurbitacin P [ C30 H48 O7, db=81.29, tgt=, overall=81.29, Lipid ID=LMST01010114, KEGG ID=C08804, METLIN ID=41677 ]" "(521.3447, 17538.842)(522.3485, 5317.971)(523.3494, 1990.9742)(524.3652, 528.35834)" Cucurbitacin P + 18.681715 FindByFormula + C08804 LMST01010114 520.3389 18.681715 Cucurbitacin P + 18.681934 "Cucurbitacin P [ C30 H48 O7, db=80.15, tgt=, overall=80.15, Lipid ID=LMST01010114, KEGG ID=C08804, METLIN ID=41677 ]" "(521.3447, 16456.06)(522.3485, 5017.709)(523.34937, 1900.8624)(524.3639, 731.72)" Cucurbitacin P + 18.681934 FindByFormula + C08804 LMST01010114 520.338 18.681934 Cyclomorusin "Cyclomorusin [ C25 H22 O6, db=74.13, tgt=, overall=74.13, Lipid ID=LMPK12110913, METLIN ID=49341 ]" "(441.13138, 2854.65)(442.13513, 839.30365)(443.13275, 489.47003)" Cyclomorusin FindByFormula + LMPK12110913 440.1235 11.575728 Cyclopamine "Cyclopamine [ C27 H41 N O2, db=99.38, tgt=, overall=99.38, CAS ID=4449-51-8, KEGG ID=C10798, METLIN ID=68586 ]" 4449-51-8 "(412.3209, 53288.54)(413.32382, 16366.96)(414.32614, 2727.3408)(415.32465, 452.5477)" Cyclopamine FindByFormula + C10798 411.3131 13.654364 Cyclopamine + 13.65225 "Cyclopamine [ C27 H41 N O2, db=99.46, tgt=, overall=99.46, CAS ID=4449-51-8, KEGG ID=C10798, METLIN ID=68586 ]" 4449-51-8 "(412.32098, 53727.15)(413.3239, 16530.422)(414.32617, 2757.7092)(415.3249, 423.07404)" Cyclopamine + 13.65225 FindByFormula + C10798 411.3136 13.65225 Cyclopamine + 26.483276 "Cyclopamine [ C27 H41 N O2, db=95.69, tgt=, overall=95.69, CAS ID=4449-51-8, KEGG ID=C10798, METLIN ID=68586 ]" 4449-51-8 "(412.3208, 3369.3896)(413.32364, 1075.7445)(414.32495, 259.99448)" Cyclopamine + 26.483276 FindByFormula + C10798 411.3134 26.483276 Cyclopamine + 26.505148 "Cyclopamine [ C27 H41 N O2, db=96.13, tgt=, overall=96.13, CAS ID=4449-51-8, KEGG ID=C10798, METLIN ID=68586 ]" 4449-51-8 "(412.3207, 3376.8262)(413.32364, 1043.7021)(414.325, 255.309)" Cyclopamine + 26.505148 FindByFormula + C10798 411.3129 26.505148 Cyclopassifloside II "Cyclopassifloside II [ C37 H62 O11, db=88.35, tgt=, overall=88.35, CAS ID=292167-39-6, HMP ID=HMDB38389, METLIN ID=93096 ]" 292167-39-6 "(683.4335, 931581.56)(684.4373, 353004.53)(685.4397, 88169.57)(686.4422, 17102.127)(687.44446, 2775.99)(688.44666, 481.16187)" Cyclopassifloside II FindByFormula HMDB38389 + 682.4258 17.012808 Cyclopassifloside II + 17.012808 "Cyclopassifloside II [ C37 H62 O11, db=88.43, tgt=, overall=88.43, CAS ID=292167-39-6, HMP ID=HMDB38389, METLIN ID=93096 ]" 292167-39-6 "(683.4335, 928973.2)(684.4373, 351995.38)(685.4397, 87927.4)(686.4422, 17056.229)" Cyclopassifloside II + 17.012808 FindByFormula HMDB38389 + 682.4271 17.012808 Cyphenothrin "Cyphenothrin [ C24 H25 N O3, db=64.84, tgt=, overall=64.84, CAS ID=39515-40-7, KEGG ID=C12962, METLIN ID=69518 ]" 39515-40-7 "(398.17383, 1787.0)(399.18045, 529.87)" Cyphenothrin FindByFormula + C12962 397.1671 21.984001 Cyproterone acetate "Cyproterone acetate [ C24 H29 Cl O4, db=98.96, tgt=, overall=98.96, CAS ID=427-51-0, KEGG ID=D01368, METLIN ID=701 ]" 427-51-0 "(439.16452, 34445.65)(440.16797, 9815.084)(441.1628, 12166.773)(442.16223, 3373.0203)(443.17163, 633.995)(461.14655, 13196.311)(462.1513, 3689.2798)(463.1441, 4569.605)(464.1535, 1284.205)" Cyproterone acetate FindByFormula + D01368 438.1578 9.120334 Cyproterone acetate + 9.103 "Cyproterone acetate [ C24 H29 Cl O4, db=97.95, tgt=, overall=97.95, CAS ID=427-51-0, KEGG ID=D01368, METLIN ID=701 ]" 427-51-0 "(439.16412, 50170.508)(440.1677, 14186.801)(441.16354, 17706.91)(442.16486, 4972.735)" Cyproterone acetate + 9.103 FindByFormula + D01368 438.1581 9.103 Cyrneine A "Cyrneine A [ C20 H28 O3, db=94.73, tgt=, overall=94.73, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21118, 7314.215)(318.21362, 1872.4487)(319.2172, 443.34)" Cyrneine A FindByFormula + LMPR0104260001 316.2054 9.43425 Cyrneine A - 10.447445 "Cyrneine A [ C20 H28 O3, db=83.74, tgt=, overall=83.74, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(315.19583, 3871.3364)(316.19952, 820.5388)" Cyrneine A - 10.447445 FindByFormula - LMPR0104260001 316.2052 10.447445 Cyrneine A - 10.461428 "Cyrneine A [ C20 H28 O3, db=82.22, tgt=, overall=82.22, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(315.1956, 3779.361)(316.1989, 823.5693)" Cyrneine A - 10.461428 FindByFormula - LMPR0104260001 316.2044 10.461428 Cyrneine A - 10.472399 "Cyrneine A [ C20 H28 O3, db=82.93, tgt=, overall=82.93, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(315.19574, 4106.362)(316.19897, 894.963)" Cyrneine A - 10.472399 FindByFormula - LMPR0104260001 316.2022 10.472399 Cyrneine A - 11.821111 "Cyrneine A [ C20 H28 O3, db=83.81, tgt=, overall=83.81, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(315.196, 3824.3833)(316.19962, 883.5911)" Cyrneine A - 11.821111 FindByFormula - LMPR0104260001 316.2043 11.821111 Cyrneine A - 11.823111 "Cyrneine A [ C20 H28 O3, db=82.86, tgt=, overall=82.86, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(315.1958, 3626.7434)(316.1993, 842.04114)" Cyrneine A - 11.823111 FindByFormula - LMPR0104260001 316.2032 11.823111 Cyrneine A - 14.746666 "Cyrneine A [ C20 H28 O3, db=82.39, tgt=, overall=82.39, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(315.1957, 1885.1832)(316.199, 374.96)" Cyrneine A - 14.746666 FindByFormula - LMPR0104260001 316.2032 14.746666 Cyrneine A + 10.445 "Cyrneine A [ C20 H28 O3, db=68.37, tgt=, overall=68.37, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21118, 3658.94)(318.21478, 964.47003)(319.21246, 629.57996)" Cyrneine A + 10.445 FindByFormula + LMPR0104260001 316.2023 10.445 Cyrneine A + 10.45625 "Cyrneine A [ C20 H28 O3, db=79.07, tgt=, overall=79.07, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21158, 4801.56)(318.2141, 1285.9225)" Cyrneine A + 10.45625 FindByFormula + LMPR0104260001 316.2052 10.45625 Cyrneine A + 10.464363 "Cyrneine A [ C20 H28 O3, db=79.29, tgt=, overall=79.29, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21155, 4577.7544)(318.21442, 1132.6637)(319.2088, 453.4275)" Cyrneine A + 10.464363 FindByFormula + LMPR0104260001 316.2041 10.464363 Cyrneine A + 10.4847 "Cyrneine A [ C20 H28 O3, db=88.73, tgt=, overall=88.73, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21143, 5190.427)(318.21454, 1308.2941)(319.2114, 350.3)" Cyrneine A + 10.4847 FindByFormula + LMPR0104260001 316.2035 10.4847 Cyrneine A + 10.498571 "Cyrneine A [ C20 H28 O3, mfg=69.57, db=73.23, tgt=, overall=71.40, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.2122, 5124.5312)(318.21558, 1265.76)(319.1983, 398.99)" Cyrneine A + 10.498571 FindByFormula + LMPR0104260001 316.2049 10.498571 Cyrneine A + 11.8005 "Cyrneine A [ C20 H28 O3, db=82.12, tgt=, overall=82.12, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21112, 4028.5498)(318.2133, 963.12)" Cyrneine A + 11.8005 FindByFormula + LMPR0104260001 316.2037 11.8005 Cyrneine A + 11.8005 :1 "Cyrneine A [ C20 H28 O3, db=82.12, tgt=, overall=82.12, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21112, 4028.5498)(318.2133, 963.12)" Cyrneine A + 11.8005 :1 FindByFormula + LMPR0104260001 316.2038 11.8005 Cyrneine A + 11.81725 "Cyrneine A [ C20 H28 O3, mfg=98.63, db=98.63, tgt=, overall=98.63, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21136, 4639.115)(318.21533, 1058.9325)(319.2199, 121.93)" Cyrneine A + 11.81725 FindByFormula + LMPR0104260001 316.2039 11.81725 Cyrneine A + 11.861667 "Cyrneine A [ C20 H28 O3, db=80.34, tgt=, overall=80.34, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21042, 3773.8965)(318.21335, 949.68)" Cyrneine A + 11.861667 FindByFormula + LMPR0104260001 316.2032 11.861667 Cyrneine A + 12.3155 "Cyrneine A [ C20 H28 O3, mfg=68.34, db=68.19, tgt=, overall=68.27, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21194, 1603.235)(318.2168, 479.3)" Cyrneine A + 12.3155 FindByFormula + LMPR0104260001 316.2049 12.3155 Cyrneine A + 12.319333 "Cyrneine A [ C20 H28 O3, db=76.53, tgt=, overall=76.53, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21185, 1473.6432)(318.21555, 408.94666)" Cyrneine A + 12.319333 FindByFormula + LMPR0104260001 316.204 12.319333 Cyrneine A + 12.651601 "Cyrneine A [ C20 H28 O3, db=71.67, tgt=, overall=71.67, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21194, 2050.5)(318.2134, 599.32196)" Cyrneine A + 12.651601 FindByFormula + LMPR0104260001 316.204 12.651601 Cyrneine A + 12.738001 "Cyrneine A [ C20 H28 O3, db=76.07, tgt=, overall=76.07, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.2118, 1560.385)(318.21246, 396.35498)" Cyrneine A + 12.738001 FindByFormula + LMPR0104260001 316.204 12.738001 Cyrneine A + 14.703286 "Cyrneine A [ C20 H28 O3, db=98.58, tgt=, overall=98.58, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.2108, 3220.8542)(318.21503, 732.1758)(319.2131, 126.884995)(355.16217, 1158.324)(339.19287, 5371.747)(340.19626, 1195.4071)(341.20102, 251.57)" Cyrneine A + 14.703286 FindByFormula + LMPR0104260001 316.2048 14.703286 Cyrneine A + 14.714888 "Cyrneine A [ C20 H28 O3, db=84.08, tgt=, overall=84.08, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(339.19293, 5786.2017)(340.19693, 1358.5967)(361.1744, 1064.8099)" Cyrneine A + 14.714888 FindByFormula + LMPR0104260001 338.1865 14.714888 Cyrneine A + 9.4021435 "Cyrneine A [ C20 H28 O3, db=93.20, tgt=, overall=93.20, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.21133, 7000.02)(318.21396, 1770.2058)(319.2136, 398.11798)" Cyrneine A + 9.4021435 FindByFormula + LMPR0104260001 316.2061 9.4021435 Cyrneine A + 9.40475 "Cyrneine A [ C20 H28 O3, db=94.00, tgt=, overall=94.00, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.2109, 6412.192)(318.2136, 1570.5801)(319.2142, 374.70776)" Cyrneine A + 9.40475 FindByFormula + LMPR0104260001 316.2042 9.40475 Cyrneine A + 9.427099 "Cyrneine A [ C20 H28 O3, db=89.58, tgt=, overall=89.58, Lipid ID=LMPR0104260001, METLIN ID=53673 ]" "(317.211, 6832.0796)(318.21387, 1733.807)(319.21002, 371.71997)" Cyrneine A + 9.427099 FindByFormula + LMPR0104260001 316.2049 9.427099 Cys Lys Met "Cys Lys Met [ C14 H28 N4 O4 S2, db=58.76, tgt=, overall=58.76, METLIN ID=17653 ]" "(213.06677, 1546.3625)(213.56744, 560.49)" Cys Lys Met FindByFormula + 424.1241 11.299749 Cys Trp Pro "Cys Trp Pro [ C19 H24 N4 O4 S, db=97.53, tgt=, overall=97.53, METLIN ID=20098 ]" "(405.16068, 1526.1566)(406.16245, 333.77783)(407.1504, 196.77)(443.11456, 2281.3572)(444.11636, 555.45447)(445.11426, 392.02054)(427.14203, 14632.685)(428.14496, 3528.98)(429.14203, 1167.4666)(430.1385, 317.93)" Cys Trp Pro FindByFormula + 404.1523 2.49265 Cys Trp Pro + 2.491389 "Cys Trp Pro [ C19 H24 N4 O4 S, db=96.07, tgt=, overall=96.07, METLIN ID=20098 ]" "(427.14172, 13993.673)(428.14474, 3375.3618)(429.14246, 1443.5376)(449.1226, 572.03)" Cys Trp Pro + 2.491389 FindByFormula + 426.1338 2.491389 Cytarabine "Cytarabine [ C9 H13 N3 O5, mfg=90.18, db=90.28, tgt=, overall=90.23, CAS ID=147-94-4, KEGG ID=C02961, METLIN ID=567 ]" 147-94-4 "(487.17804, 1952.458)(488.1789, 602.01196)(525.1298, 1439.2933)(509.16016, 2658.4119)(510.16388, 675.822)(244.09055, 7179.765)(245.0921, 800.995)(246.09705, 477.1)(282.04984, 14938.627)(283.05115, 2199.11)(284.0491, 1412.349)(285.049, 365.74)(266.0758, 12017.519)(267.07486, 1532.3744)(268.06732, 787.486)" Cytarabine FindByFormula + C02961 243.0849 0.9312 Cytarabine + 0.502 "Cytarabine [ C9 H13 N3 O5, mfg=65.84, db=65.82, tgt=, overall=65.83, CAS ID=147-94-4, KEGG ID=C02961, METLIN ID=567 ]" 147-94-4 "(282.04675, 545.655)(283.054, 66.55)(266.0755, 728.935)(267.08084, 118.07001)(268.0707, 76.7)" Cytarabine + 0.502 FindByFormula + C02961 243.0844 0.502 Cytarabine + 0.9505 "Cytarabine [ C9 H13 N3 O5, mfg=79.23, db=82.67, tgt=, overall=41.33, CAS ID=147-94-4, KEGG ID=C02961, METLIN ID=567 ]" 147-94-4 "(266.07544, 34012.395)(267.07263, 4257.4053)(268.06628, 972.06494)" Cytarabine + 0.9505 FindByFormula + C02961 265.0675 0.9505 Cytochalasin H "Cytochalasin H [ C30 H39 N O5, db=65.78, tgt=, overall=65.78, METLIN ID=85119 ]" "(492.2776, 1836.6499)(493.28226, 633.97003)" Cytochalasin H FindByFormula - 493.2854 9.3605 Cytochalasin Opho "Cytochalasin Opho [ C28 H37 N O4, db=70.93, tgt=, overall=70.93, CAS ID=108050-26-6, HMP ID=HMDB35366, METLIN ID=90664 ]" 108050-26-6 "(474.26068, 3118.7224)(475.26257, 1131.6176)" Cytochalasin Opho FindByFormula HMDB35366 + 473.2542 13.18825 D1927 "D1927 [ C21 H36 N4 O5 S, db=80.79, tgt=, overall=80.79, KEGG ID=C11717, METLIN ID=69174 ]" "(479.22922, 14384.828)(480.2319, 4897.2197)(481.23346, 2671.4602)(482.23184, 577.27496)" D1927 FindByFormula + C11717 478.2212 18.801428 D-1-Aminopropan-2-ol O-phosphate "D-1-Aminopropan-2-ol O-phosphate [ C3 H10 N O4 P, db=75.03, tgt=, overall=75.03, CAS ID=, KEGG ID=C04122, METLIN ID=63967 ]" "(156.04262, 8249.764)(157.0447, 534.75806)(158.04018, 667.1067)(193.99524, 231.595)" D-1-Aminopropan-2-ol O-phosphate FindByFormula + C04122 155.035 0.90020007 Daphnandrine "Daphnandrine [ C36 H38 N2 O6, db=71.09, tgt=, overall=71.09, CAS ID=1183-76-2, KEGG ID=C09415, METLIN ID=67677 ]" 1183-76-2 "(595.2831, 3915.476)(596.28375, 1197.836)(597.2803, 460.94598)(617.2668, 3346.8887)(618.26935, 1146.337)" Daphnandrine FindByFormula + C09415 594.2764 16.690624 "DAT(16:0/23:0(2Me[S],4Me[S]))" "DAT(16:0/23:0(2Me[S],4Me[S])) [ C53 H100 O13, db=70.17, tgt=, overall=70.17, Lipid ID=LMSL03000006, METLIN ID=82434 ]" "(945.7267, 5789.528)(946.7328, 2825.916)(947.73737, 1137.0732)(948.728, 681.58)(967.716, 1188.2234)(968.719, 786.75836)" "DAT(16:0/23:0(2Me[S],4Me[S]))" FindByFormula + LMSL03000006 944.7325 26.455332 "DAT(16:0/23:0(2Me[S],4Me[S])) + 24.014" "DAT(16:0/23:0(2Me[S],4Me[S])) [ C53 H100 O13, db=79.25, tgt=, overall=79.25, Lipid ID=LMSL03000006, METLIN ID=82434 ]" "(945.7244, 5904.5864)(946.732, 2907.7002)(947.72906, 1488.23)" "DAT(16:0/23:0(2Me[S],4Me[S])) + 24.014" FindByFormula + LMSL03000006 944.7203 24.014 "DAT(16:0/25:0(2Me[S],3OH[S],4Me[S],6Me[S]))" "DAT(16:0/25:0(2Me[S],3OH[S],4Me[S],6Me[S])) [ C56 H106 O14, db=59.87, tgt=, overall=59.87, Lipid ID=LMSL03000004, METLIN ID=82432 ]" "(524.3683, 6050.54)(524.8616, 483.77997)(525.3706, 2952.225)(1047.7312, 4647.384)(1048.7332, 2766.336)(1049.7278, 1171.5139)" "DAT(16:0/25:0(2Me[S],3OH[S],4Me[S],6Me[S]))" FindByFormula + LMSL03000004 1046.7227 17.284 "DAT(16:0/25:0(2Me[S],3OH[S],4Me[S],6Me[S])) + 17.278221" "DAT(16:0/25:0(2Me[S],3OH[S],4Me[S],6Me[S])) [ C56 H106 O14, db=59.87, tgt=, overall=59.87, Lipid ID=LMSL03000004, METLIN ID=82432 ]" "(524.3683, 6050.54)(524.8616, 483.77997)(525.3706, 2952.225)(1047.7307, 3744.7473)(1048.7303, 2235.017)(1049.7264, 928.9171)" "DAT(16:0/25:0(2Me[S],3OH[S],4Me[S],6Me[S])) + 17.278221" FindByFormula + LMSL03000004 1046.7196 17.278221 Deacetoxy(7)-7-oxokhivorinic acid "Deacetoxy(7)-7-oxokhivorinic acid [ C27 H36 O10, db=34.51, tgt=, overall=34.51, CAS ID=, METLIN ID=43753 ]" "(543.2182, 1105.5349)(544.2124, 419.82)(565.2068, 982.24335)(566.2063, 379.56998)" Deacetoxy(7)-7-oxokhivorinic acid FindByFormula + 542.2124 13.901666 Deaminohydroxyblasticidin S "Deaminohydroxyblasticidin S [ C17 H25 N7 O6, db=66.30, tgt=, overall=66.30, KEGG ID=C03860, METLIN ID=66067 ]" "(446.1754, 5059.7275)(447.17798, 1724.88)(468.16003, 234.055)" Deaminohydroxyblasticidin S FindByFormula + C03860 445.1674 8.4405 Deaminohydroxyblasticidin S + 9.836 "Deaminohydroxyblasticidin S [ C17 H25 N7 O6, db=40.87, tgt=, overall=40.87, KEGG ID=C03860, METLIN ID=66067 ]" "(446.1745, 1181.1799)(447.17365, 529.845)" Deaminohydroxyblasticidin S + 9.836 FindByFormula + C03860 445.1632 9.836 Debromoaplysiatoxin "Debromoaplysiatoxin [ C32 H48 O10, db=60.88, tgt=, overall=60.88, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(593.33264, 26086.754)(594.3356, 10880.701)(595.34436, 2859.8025)(615.3143, 26518.85)(616.3163, 13997.218)" Debromoaplysiatoxin FindByFormula + C05148 592.328 11.984 Debromoaplysiatoxin - 12.144666 "Debromoaplysiatoxin [ C32 H48 O10, db=93.40, tgt=, overall=93.40, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(591.31647, 15199.246)(592.319, 5700.89)(593.32684, 1329.11)(594.3299, 597.82)" Debromoaplysiatoxin - 12.144666 FindByFormula - C05148 592.3241 12.144666 Debromoaplysiatoxin - 12.144666 :1 "Debromoaplysiatoxin [ C32 H48 O10, db=93.30, tgt=, overall=93.30, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(591.31647, 15199.246)(592.319, 5700.89)(593.32684, 1329.11)" Debromoaplysiatoxin - 12.144666 :1 FindByFormula - C05148 592.321 12.144666 Debromoaplysiatoxin + 10.081666 "Debromoaplysiatoxin [ C32 H48 O10, db=94.40, tgt=, overall=94.40, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(593.3313, 10539.743)(594.33624, 3604.343)(595.338, 1143.235)(596.3444, 439.51)" Debromoaplysiatoxin + 10.081666 FindByFormula + C05148 592.3234 10.081666 Debromoaplysiatoxin + 12.0113 "Debromoaplysiatoxin [ C32 H48 O10, db=82.67, tgt=, overall=82.67, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(593.3322, 14867.464)(594.3345, 6092.0347)(595.34174, 1830.21)(596.334, 414.54)(615.31354, 24327.996)(616.3162, 11083.922)(617.3152, 1228.02)" Debromoaplysiatoxin + 12.0113 FindByFormula + C05148 592.3266 12.0113 Debromoaplysiatoxin + 9.088334 "Debromoaplysiatoxin [ C32 H48 O10, db=87.22, tgt=, overall=87.22, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(593.3303, 49345.11)(594.3343, 14228.503)(595.3415, 4047.1934)" Debromoaplysiatoxin + 9.088334 FindByFormula + C05148 592.324 9.088334 Debromoaplysiatoxin + 9.882 "Debromoaplysiatoxin [ C32 H48 O10, db=94.99, tgt=, overall=94.99, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(593.33105, 6088.45)(594.3356, 2077.3374)(595.33624, 675.4167)" Debromoaplysiatoxin + 9.882 FindByFormula + C05148 592.323 9.882 Debromoaplysiatoxin + 9.898251 "Debromoaplysiatoxin [ C32 H48 O10, db=85.67, tgt=, overall=85.67, CAS ID=52423-28-6, KEGG ID=C05148, METLIN ID=66295 ]" 52423-28-6 "(593.32947, 10538.93)(594.3319, 3552.245)(595.33575, 1103.1434)" Debromoaplysiatoxin + 9.898251 FindByFormula + C05148 592.3225 9.898251 Deferoxamine "Deferoxamine [ C25 H48 N6 O8, db=67.17, tgt=, overall=67.17, CAS ID=70-51-9, KEGG ID=C06940, HMP ID=HMDB14884, METLIN ID=1946 ]" 70-51-9 "(583.34326, 2784.1418)(584.345, 1123.5718)" Deferoxamine FindByFormula HMDB14884 + C06940 582.3362 13.091271 Dehydroamlodipine "Dehydroamlodipine [ C20 H23 Cl N2 O5, db=69.55, tgt=, overall=69.55, CAS ID=113994-41-5, METLIN ID=969 ]" 113994-41-5 "(407.1371, 3395.3599)(408.13956, 1053.5)(409.1387, 1736.735)(429.11908, 946.26)" Dehydroamlodipine FindByFormula + 406.1303 9.3215 Dehydrofalcarinone "Dehydrofalcarinone [ C17 H20 O, db=72.80, tgt=, overall=72.80, CAS ID=4117-05-9, KEGG ID=C08445, METLIN ID=66981 ]" 5/9/4117 "(263.14127, 2207.1455)(264.14426, 599.2075)(285.1216, 376.62668)(286.1236, 81.49)" Dehydrofalcarinone FindByFormula + C08445 262.1343 7.0235553 Dehydrotomatine "Dehydrotomatine [ C50 H81 N O21, db=66.07, tgt=, overall=66.07, CAS ID=157604-98-3, HMP ID=HMDB32002, METLIN ID=88109 ]" 157604-98-3 "(1054.5151, 1269.935)(1055.5164, 721.145)(1056.5159, 343.63998)" Dehydrotomatine FindByFormula HMDB32002 + 1053.5099 22.238499 Dehydrotomatine + 22.032751 "Dehydrotomatine [ C50 H81 N O21, db=65.72, tgt=, overall=65.72, CAS ID=157604-98-3, HMP ID=HMDB32002, METLIN ID=88109 ]" 157604-98-3 "(1054.5154, 2691.095)(1055.5154, 1577.18)(1056.5151, 622.175)(1076.5009, 341.80334)" Dehydrotomatine + 22.032751 FindByFormula HMDB32002 + 1053.5096 22.032751 Demethyl-desacetyl-rifamycin S "Demethyl-desacetyl-rifamycin S [ C34 H41 N O11, db=68.85, tgt=, overall=68.85, CAS ID=, KEGG ID=C14724, METLIN ID=63724 ]" "(640.2728, 2146.77)(641.28094, 1045.105)(642.2791, 560.045)" Demethyl-desacetyl-rifamycin S FindByFormula + C14724 639.2651 14.755501 Denticulaflavonol "Denticulaflavonol [ C35 H42 O6, db=79.20, tgt=, overall=79.20, Lipid ID=LMPK12111996, METLIN ID=50412 ]" "(1139.5867, 13818.99)(1140.5884, 8216.3955)(1141.5825, 2871.145)(570.3004, 1788.74)(571.3136, 642.34)" Denticulaflavonol FindByFormula + LMPK12111996 569.292 8.3295 Deoxygedunin "Deoxygedunin [ C28 H34 O6, db=62.87, tgt=, overall=62.87, CAS ID=21963-95-1, METLIN ID=43749 ]" 21963-95-1 "(467.24255, 3414.06)(468.2552, 1041.88)" Deoxygedunin FindByFormula + 466.2386 7.899 Deoxystreptomycin "Deoxystreptomycin [ C21 H39 N7 O11, db=67.93, tgt=, overall=67.93, CAS ID=34097-34-2, KEGG ID=C03755, METLIN ID=2505 ]" 34097-34-2 "(566.27673, 1751.4373)(567.2745, 257.625)(568.26953, 747.27)(604.232, 500.22202)(588.2575, 6496.5137)(589.26135, 1954.6818)(590.2487, 650.65875)(591.24585, 81.104996)" Deoxystreptomycin FindByFormula + C03755 565.2671 16.772823 Deoxystreptomycin + 16.812117 "Deoxystreptomycin [ C21 H39 N7 O11, db=75.09, tgt=, overall=75.09, CAS ID=34097-34-2, KEGG ID=C03755, METLIN ID=2505 ]" 34097-34-2 "(588.25806, 5886.4595)(589.2599, 1644.0203)(590.2456, 405.45)" Deoxystreptomycin + 16.812117 FindByFormula + C03755 587.2499 16.812117 DEPMPO-biotin "DEPMPO-biotin [ C24 H42 N5 O8 P S, mfg=93.49, db=96.87, tgt=, overall=48.43, CAS ID=936224-52-1, METLIN ID=64809 ]" 936224-52-1 "(592.2563, 5034.63)(593.2602, 1346.4343)(594.25604, 521.6486)" DEPMPO-biotin FindByFormula + 591.2396 15.1 D-Erythroascorbic acid 1'-a-D-glucoside "D-Erythroascorbic acid 1'-a-D-glucoside [ C11 H16 O10, db=72.83, tgt=, overall=72.83, CAS ID=174339-86-7, HMP ID=HMDB33627, METLIN ID=89427 ]" 174339-86-7 "(309.08304, 4022.0684)(310.0856, 692.715)" D-Erythroascorbic acid 1'-a-D-glucoside FindByFormula HMDB33627 + 308.0746 7.240667 D-erythro-Sphingosine C-15 "D-erythro-Sphingosine C-15 [ C15 H31 N O2, db=98.84, tgt=, overall=98.84, CAS ID=86555-28-4, METLIN ID=64626 ]" 86555-28-4 "(258.24292, 9587.39)(259.24594, 1715.9901)(260.24454, 226.70332)" D-erythro-Sphingosine C-15 FindByFormula + 257.2352 10.555 Descinolone acetonide "Descinolone acetonide [ C24 H31 F O5, db=65.66, tgt=, overall=65.66, CAS ID=2135-14-0, KEGG ID=C14653, METLIN ID=70236 ]" 2135-14-0 "(441.20654, 3184.99)(442.20804, 1112.64)" Descinolone acetonide FindByFormula + C14653 440.1969 15.7045 Deserpidine "Deserpidine [ C32 H38 N2 O8, mfg=65.33, db=67.14, tgt=, overall=66.24, CAS ID=131-01-1, KEGG ID=C06541, METLIN ID=3603 ]" 131-01-1 "(579.2689, 3105.8052)(580.2719, 263.28998)(581.2834, 123.53)(601.24945, 1507.5366)(602.2573, 531.8133)" Deserpidine FindByFormula + C06541 578.262 17.23 Deserpidine + 17.288334 "Deserpidine [ C32 H38 N2 O8, db=57.76, tgt=, overall=57.76, CAS ID=131-01-1, KEGG ID=C06541, METLIN ID=3603 ]" 131-01-1 "(601.25104, 1122.0801)(602.25366, 662.37335)" Deserpidine + 17.288334 FindByFormula + C06541 600.2433 17.288334 Desmethyldihydrocapsaicin "Desmethyldihydrocapsaicin [ C17 H27 N O3, db=51.51, tgt=, overall=51.51, CAS ID=2444-46-4, METLIN ID=44179 ]" 2444-46-4 "(316.1889, 3383.01)(317.1856, 1139.5)(338.1718, 2025.945)(339.16962, 718.635)" Desmethyldihydrocapsaicin FindByFormula + 315.1814 1.8659999 Dethiobiotin "Dethiobiotin [ C10 H18 N2 O3, db=56.85, tgt=, overall=56.85, CAS ID=533-48-2, KEGG ID=C01909, HMP ID=HMDB03581, METLIN ID=3351 ]" 533-48-2 "(215.14005, 2450.72)(216.1389, 590.505)" Dethiobiotin FindByFormula HMDB03581 + C01909 214.1317 1.1935 "DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0)" "DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0) [ C41 H72 O5, db=82.13, tgt=, overall=82.13, HMP ID=HMDB07339, METLIN ID=58878 ]" "(667.5256, 2967.5361)(668.5284, 1396.8782)(669.53296, 640.9909)(705.48, 207.54)(706.4917, 161.29)" "DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0)" FindByFormula HMDB07339 + 666.5177 26.604725 "DG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" "DG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) [ C45 H68 O5, db=85.34, tgt=, overall=85.34, HMP ID=HMDB07556, METLIN ID=59044 ]" "(689.51544, 10229.159)(690.51874, 4124.3237)(691.5156, 997.0796)(692.5176, 348.48898)" "DG(20:4(8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" FindByFormula HMDB07556 + 688.51 25.958565 D-Glucosyldihydrosphingosine "D-Glucosyldihydrosphingosine [ C24 H49 N O7, db=92.05, tgt=, overall=92.05, KEGG ID=C03858, METLIN ID=66066 ]" "(486.34003, 7041.7573)(487.3413, 1972.4531)(488.34097, 429.3273)" D-Glucosyldihydrosphingosine FindByFormula + C03858 485.3314 13.349345 DHAP(18:0) "DHAP(18:0) [ C21 H41 O7 P, db=0.00, tgt=, overall=0.00, KEGG ID=C03805, HMP ID=HMDB11133, METLIN ID=61995 ]" "(955.4365, 549.11)(955.9202, 89.19)(459.2467, 8416.766)(459.7484, 3970.97)" DHAP(18:0) FindByFormula HMDB11133 + C03805 916.4633 6.8535 Diatrizoate "Diatrizoate [ C11 H9 I3 N2 O4, db=98.73, tgt=, overall=98.73, CAS ID=117-96-4, KEGG ID=D02240, HMP ID=HMDB14416, METLIN ID=1990 ]" 117-96-4 "(1272.5201, 1217.33)(1273.5107, 576.17)(1310.4825, 1258.0)(1311.476, 399.01)(1294.4927, 4130.3647)(1295.5078, 1239.595)(1296.5121, 235.34)(636.7595, 41674.21)(637.76184, 5641.8896)(638.7644, 1092.3999)(674.7163, 10527.695)(675.7206, 1580.325)(676.71924, 1015.985)(658.74133, 32954.78)(659.7425, 4492.4053)(660.7488, 995.36)" Diatrizoate FindByFormula HMDB14416 + D02240 635.7536 1.9305 Diatrizoate + 1.947 "Diatrizoate [ C11 H9 I3 N2 O4, db=99.23, tgt=, overall=99.23, CAS ID=117-96-4, KEGG ID=D02240, HMP ID=HMDB14416, METLIN ID=1990 ]" 117-96-4 "(1266.5109, 179.34)(614.778, 2536.27)(615.7734, 427.61)(636.7593, 37089.125)(637.7623, 5009.42)(638.7671, 851.43)" Diatrizoate + 1.947 FindByFormula HMDB14416 + D02240 613.7687 1.947 Dicrocin "Dicrocin [ C32 H44 O14, db=73.07, tgt=, overall=73.07, CAS ID=57710-64-2, KEGG ID=C19868, HMP ID=HMDB02353, METLIN ID=58121 ]" 57710-64-2 "(1305.552, 297.952)(1306.5508, 363.61502)(1327.5345, 1737.1222)(1328.532, 1507.0677)(1329.5288, 871.3974)(1330.549, 589.61664)(653.28156, 11128.057)(654.2853, 4421.64)(655.2885, 1430.7329)(656.2875, 479.22104)(691.2379, 2467.6628)(692.2387, 1069.1638)(693.23834, 679.8593)(694.2386, 263.28668)(675.2642, 12748.5625)(676.26715, 4871.677)(677.27893, 1977.5994)(678.2844, 579.7009)" Dicrocin FindByFormula HMDB02353 + C19868 652.2744 22.825314 Dicrocin + 22.834877 "Dicrocin [ C32 H44 O14, db=82.25, tgt=, overall=82.25, CAS ID=57710-64-2, KEGG ID=C19868, HMP ID=HMDB02353, METLIN ID=58121 ]" 57710-64-2 "(675.2631, 11970.335)(676.2666, 4518.475)(677.27405, 2059.0488)" Dicrocin + 22.834877 FindByFormula HMDB02353 + C19868 674.2564 22.834877 Dicrocin + 27.2485 "Dicrocin [ C32 H44 O14, db=54.79, tgt=, overall=54.79, CAS ID=57710-64-2, KEGG ID=C19868, HMP ID=HMDB02353, METLIN ID=58121 ]" 57710-64-2 "(675.2643, 1594.61)(676.2639, 869.70496)(677.25574, 505.305)" Dicrocin + 27.2485 FindByFormula HMDB02353 + C19868 674.2556 27.2485 Diderroside "Diderroside [ C19 H28 O13, db=62.60, tgt=, overall=62.60, CAS ID=86989-19-7, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29165 ]" 86989-19-7 "(487.14362, 16716.48)(488.1482, 3787.3599)(489.1514, 3849.19)" Diderroside FindByFormula + 486.1369 1.7025001 Diderroside + 2.1025 "Diderroside [ C19 H28 O13, db=90.55, tgt=, overall=90.55, CAS ID=86989-19-7, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29165 ]" 86989-19-7 "(487.143, 5590.75)(488.14706, 1368.6399)(489.1506, 506.71)" Diderroside + 2.1025 FindByFormula + 486.1358 2.1025 Diethofencarb "Diethofencarb [ C14 H21 N O4, mfg=98.18, db=98.18, tgt=, overall=98.18, CAS ID=87130-20-9, KEGG ID=C11077, METLIN ID=68820 ]" 87130-20-9 "(268.1541, 17415.309)(269.1568, 2711.1477)(270.1563, 459.93198)" Diethofencarb FindByFormula + C11077 267.146 7.0108747 Diferuloylputrescine "Diferuloylputrescine [ C24 H28 N2 O6, db=58.54, tgt=, overall=58.54, CAS ID=42369-86-8, HMP ID=HMDB33468, METLIN ID=89295 ]" 42369-86-8 "(441.2011, 1870.1381)(442.20157, 697.078)" Diferuloylputrescine FindByFormula HMDB33468 + 440.1915 20.1302 Digitoxigenin monodigitoxoside "Digitoxigenin monodigitoxoside [ C29 H44 O7, db=82.08, tgt=, overall=82.08, CAS ID=18404-43-8, METLIN ID=2043 ]" 18404-43-8 "(505.3144, 4273.068)(506.3178, 1288.944)(507.31366, 382.97998)" Digitoxigenin monodigitoxoside FindByFormula + 504.3077 16.631199 Diglycidyl resorcinol ether "Diglycidyl resorcinol ether [ C12 H14 O4, db=95.33, tgt=, overall=95.33, CAS ID=101-90-6, KEGG ID=C19228, METLIN ID=72951 ]" 101-90-6 "(223.09723, 4338.095)(224.10023, 643.7875)(225.09529, 103.450005)" Diglycidyl resorcinol ether FindByFormula + C19228 222.0895 10.539249 Digoxigenin bisdigitoxoside "Digoxigenin bisdigitoxoside [ C35 H54 O11, db=46.11, tgt=, overall=46.11, CAS ID=5297-05-2, METLIN ID=2058 ]" 5/2/5297 "(651.3659, 1469.725)(652.3706, 865.04)(653.37054, 553.23)(673.3538, 1950.2)(674.3543, 1070.21)" Digoxigenin bisdigitoxoside FindByFormula + 650.3649 10.3255005 Diguanosine triphosphate "Diguanosine triphosphate [ C20 H27 N10 O18 P3, db=22.72, tgt=, overall=22.72, CAS ID=6674-45-9, HMP ID=HMDB01379, METLIN ID=58040 ]" 6674-45-9 "(811.0636, 7522.105)(812.0841, 2256.945)(813.0744, 2698.865)" Diguanosine triphosphate FindByFormula HMDB01379 + 810.058 9.6695 Dihydroaceanthrylene "Dihydroaceanthrylene [ C16 H12, db=85.69, tgt=, overall=85.69, CAS ID=641-48-5, KEGG ID=C19401, METLIN ID=73104 ]" 641-48-5 "(227.0826, 5732.37)(228.0863, 913.76)" Dihydroaceanthrylene FindByFormula + C19401 226.0759 7.6140003 Dihydrocelastryl diacetate "Dihydrocelastryl diacetate [ C33 H44 O6, db=71.25, tgt=, overall=71.25, CAS ID=1262-14-2, METLIN ID=44211 ]" 1262-14-2 "(537.32117, 1662.596)(538.32434, 618.11)(539.3153, 305.298)" Dihydrocelastryl diacetate FindByFormula + 536.3119 18.269001 Dihydrocelastryl diacetate - 15.9522 "Dihydrocelastryl diacetate [ C33 H44 O6, db=99.46, tgt=, overall=99.46, CAS ID=1262-14-2, METLIN ID=44211 ]" 1262-14-2 "(535.3066, 3149.778)(536.30963, 1142.7361)(537.3124, 233.21799)" Dihydrocelastryl diacetate - 15.9522 FindByFormula - 536.3143 15.9522 Dihydroergocornine "Dihydroergocornine [ C31 H41 N5 O5, db=86.37, tgt=, overall=86.37, CAS ID=25447-65-8, KEGG ID=C14053, METLIN ID=4040 ]" 25447-65-8 "(1127.6218, 465.58096)(1128.6305, 711.16)(1129.6245, 743.98)(1165.5815, 1054.4879)(1166.5754, 366.23584)(1167.5815, 412.92374)(1149.615, 1939.526)(1150.6182, 1550.276)(564.3144, 7244.521)(565.3173, 2909.367)(566.31586, 1444.6832)(567.3182, 388.93283)(602.2741, 23853.502)(603.2782, 6856.75)(604.2803, 1736.1068)(605.27893, 481.3944)" Dihydroergocornine FindByFormula + C14053 563.3108 14.777715 Dihydroergocornine + 14.755637 "Dihydroergocornine [ C31 H41 N5 O5, db=64.85, tgt=, overall=64.85, CAS ID=25447-65-8, KEGG ID=C14053, METLIN ID=4040 ]" 25447-65-8 "(564.31354, 7322.316)(565.3162, 2752.3994)(566.31573, 1922.126)(602.2738, 16631.277)(603.27686, 5185.4717)" Dihydroergocornine + 14.755637 FindByFormula + C14053 563.3082 14.755637 Dihydroergocornine + 14.790646 "Dihydroergocornine [ C31 H41 N5 O5, db=79.99, tgt=, overall=79.99, CAS ID=25447-65-8, KEGG ID=C14053, METLIN ID=4040 ]" 25447-65-8 "(1149.6241, 115.52)(1150.5851, 335.1)(564.31415, 6071.655)(565.3161, 2412.2192)(566.3146, 1224.1538)(602.27374, 14784.437)(603.27765, 4377.6685)(604.2822, 367.86002)(605.2764, 148.46)" Dihydroergocornine + 14.790646 FindByFormula + C14053 563.3083 14.790646 Dihydromikanolide "Dihydromikanolide [ C15 H16 O6, db=72.54, tgt=, overall=72.54, CAS ID=23758-04-5, KEGG ID=C09397, METLIN ID=67660 ]" 23758-04-5 "(293.1011, 2367.635)(294.1019, 445.82498)" Dihydromikanolide FindByFormula + C09397 292.0938 2.0475001 Dihydromilletenone methyl ether "Dihydromilletenone methyl ether [ C19 H20 O6, db=75.94, tgt=, overall=75.94, Lipid ID=LMPK12120588, METLIN ID=52390 ]" "(343.1201, 1906.7251)(344.12225, 319.005)" Dihydromilletenone methyl ether FindByFormula - LMPK12120588 344.1274 9.5745 Dihydroneopterin phosphate "Dihydroneopterin phosphate [ C9 H14 N5 O7 P, db=79.89, tgt=, overall=79.89, CAS ID=19622-42-5, KEGG ID=C05925, METLIN ID=3468 ]" 19622-42-5 "(336.07135, 8827.279)(337.0741, 1267.9528)(338.07077, 788.08466)" Dihydroneopterin phosphate FindByFormula + C05925 335.0632 1.6849413 "Dihydrostreptomycin 3'?,6-bisphosphate" "Dihydrostreptomycin 3'?,6-bisphosphate [ C21 H43 N7 O18 P2, db=50.47, tgt=, overall=50.47, CAS ID=, KEGG ID=C01280, METLIN ID=2501 ]" "(722.24634, 1347.595)(723.239, 1040.96)(744.2246, 2293.2002)(745.22205, 1613.71)" "Dihydrostreptomycin 3'?,6-bisphosphate" FindByFormula + C01280 721.2351 1.9095 Diisopropyl adipate "Diisopropyl adipate [ C12 H22 O4, db=85.22, tgt=, overall=85.22, CAS ID=6938-94-9, KEGG ID=C14523, METLIN ID=70124 ]" 6938-94-9 "(229.14514, 4222.3745)(230.14798, 557.46716)" Diisopropyl adipate FindByFormula - C14523 230.1527 10.499143 Diisopropyl adipate - 10.509143 "Diisopropyl adipate [ C12 H22 O4, db=86.14, tgt=, overall=86.14, CAS ID=6938-94-9, KEGG ID=C14523, METLIN ID=70124 ]" 6938-94-9 "(229.14445, 3350.5444)(230.14742, 483.74713)" Diisopropyl adipate - 10.509143 FindByFormula - C14523 230.1506 10.509143 Dikegulac "Dikegulac [ C12 H18 O7, db=81.28, tgt=, overall=81.28, CAS ID=18467-77-1, KEGG ID=C18825, METLIN ID=72590 ]" 18467-77-1 "(297.0947, 3680.61)(298.09885, 625.0726)" Dikegulac FindByFormula + C18825 296.0879 2.25525 Dikegulac + 2.2413332 "Dikegulac [ C12 H18 O7, db=80.74, tgt=, overall=80.74, CAS ID=18467-77-1, KEGG ID=C18825, METLIN ID=72590 ]" 18467-77-1 "(297.09497, 4797.56)(298.09915, 801.3934)" Dikegulac + 2.2413332 FindByFormula + C18825 296.0881 2.2413332 Dikegulac + 2.332 "Dikegulac [ C12 H18 O7, db=80.40, tgt=, overall=80.40, CAS ID=18467-77-1, KEGG ID=C18825, METLIN ID=72590 ]" 18467-77-1 "(297.0954, 6393.64)(298.09924, 1013.645)" Dikegulac + 2.332 FindByFormula + C18825 296.0886 2.332 Diketopiperazine derivative of Quinapril "Diketopiperazine derivative of Quinapril [ C25 H28 N2 O4, db=79.84, tgt=, overall=79.84, CAS ID=103733-49-9, METLIN ID=2218 ]" 103733-49-9 "(421.21127, 27295.436)(422.21436, 7766.117)" Diketopiperazine derivative of Quinapril FindByFormula + 420.2044 10.035666 Diketospirilloxanthin "Diketospirilloxanthin [ C42 H56 O4, db=89.21, tgt=, overall=89.21, Lipid ID=LMPR01070154, KEGG ID=C15885, METLIN ID=41409 ]" "(623.41254, 1950.3615)(624.41565, 743.9029)(625.41846, 204.59714)" Diketospirilloxanthin FindByFormula - C15885 LMPR01070154 624.4199 19.487858 Dimethyl suberate "Dimethyl suberate [ C10 H18 O4, db=83.74, tgt=, overall=83.74, CAS ID=1732-09-8, KEGG ID=C17803, METLIN ID=71908 ]" 1732-09-8 "(201.11407, 3293.0776)(202.11739, 397.42)" Dimethyl suberate FindByFormula - C17803 202.1216 9.3935 Dimethylaminoethyl reserpilinate "Dimethylaminoethyl reserpilinate [ C26 H35 N3 O5, db=98.14, tgt=, overall=98.14, CAS ID=5585-67-1, KEGG ID=C13441, METLIN ID=69577 ]" 5585-67-1 "(470.26526, 20330.426)(471.2672, 6112.85)(472.2721, 1297.085)" Dimethylaminoethyl reserpilinate FindByFormula + C13441 469.2585 8.8895 Diospyrin "Diospyrin [ C21 H24 O13, db=75.68, tgt=, overall=75.68, Lipid ID=LMPK12020205, METLIN ID=47421 ]" "(507.112, 7998.6016)(508.11288, 1793.4039)" Diospyrin FindByFormula + LMPK12020205 506.1026 1.1021999 Diphylloside B "Diphylloside B [ C38 H48 O19, db=51.44, tgt=, overall=51.44, Lipid ID=LMPK12111720, METLIN ID=50136 ]" "(809.28345, 1082.8049)(810.2838, 428.195)" Diphylloside B FindByFormula + LMPK12111720 808.2757 18.954 Divinyl chlorophyllide a "Divinyl chlorophyllide a [ C35 H32 Mg N4 O5, db=60.67, tgt=, overall=60.67, CAS ID=, KEGG ID=C11832, METLIN ID=63918 ]" "(1308.5564, 403.57)(1308.8562, 332.46503)(1291.3829, 1005.67)(635.20874, 4076.7236)(636.212, 1340.2937)(637.2061, 413.72247)" Divinyl chlorophyllide a FindByFormula + C11832 634.1996 13.738625 Divinylchlorophyll a "Divinylchlorophyll a [ C55 H70 Mg N4 O5, db=82.78, tgt=, overall=82.78, CAS ID=, KEGG ID=C11850, METLIN ID=63919 ]" "(875.54553, 2348.9714)(876.5454, 1872.1986)(877.5433, 1297.3633)(913.50726, 7964.3315)(914.5112, 4573.89)(915.5118, 1715.2123)(916.51544, 874.7619)(897.5352, 3912.5762)(898.53674, 2441.9958)(899.5397, 1484.9501)" Divinylchlorophyll a FindByFormula + C11850 874.5476 13.649375 Divinylchlorophyll a + 13.657223 "Divinylchlorophyll a [ C55 H70 Mg N4 O5, db=77.55, tgt=, overall=77.55, CAS ID=, KEGG ID=C11850, METLIN ID=63919 ]" "(875.5461, 2700.443)(876.54816, 2142.1484)(877.5458, 1477.0281)(913.5071, 7189.708)(914.51086, 4102.7715)(915.5141, 1565.2833)(916.5124, 193.85)(897.5305, 827.3)(898.51, 211.49)" Divinylchlorophyll a + 13.657223 FindByFormula + C11850 874.5439 13.657223 Divinylchlorophyll a + 13.65925 "Divinylchlorophyll a [ C55 H70 Mg N4 O5, db=74.40, tgt=, overall=74.40, CAS ID=, KEGG ID=C11850, METLIN ID=63919 ]" "(891.52313, 10765.047)(892.52606, 6335.647)(893.52515, 2643.9949)(894.5247, 1190.5684)(913.508, 8194.434)(914.51056, 4554.6934)(915.5078, 1679.8363)" Divinylchlorophyll a + 13.65925 FindByFormula + C11850 890.5172 13.65925 Divinylchlorophyll a + 13.722376 "Divinylchlorophyll a [ C55 H70 Mg N4 O5, db=73.91, tgt=, overall=73.91, CAS ID=, KEGG ID=C11850, METLIN ID=63919 ]" "(446.26047, 824.49664)(446.76535, 471.93332)(447.26065, 704.21497)(891.52344, 9839.448)(892.5257, 5931.6963)(893.52454, 2479.1814)(894.5229, 1019.9571)(913.5081, 7035.356)(914.51074, 3888.594)(915.51373, 1480.795)(916.5164, 582.248)" Divinylchlorophyll a + 13.722376 FindByFormula + C11850 890.5207 13.722376 Divinylchlorophyll a + 13.7245 "Divinylchlorophyll a [ C55 H70 Mg N4 O5, db=77.07, tgt=, overall=77.07, CAS ID=, KEGG ID=C11850, METLIN ID=63919 ]" "(913.5075, 7897.16)(914.5098, 4484.3135)(915.51337, 1823.64)" Divinylchlorophyll a + 13.7245 FindByFormula + C11850 912.5028 13.7245 Dizocilpine "Dizocilpine [ C16 H15 N, db=60.57, tgt=, overall=60.57, CAS ID=77086-21-6, KEGG ID=C13737, METLIN ID=69670 ]" 77086-21-6 "(222.12715, 1387.0299)(223.12672, 350.1467)" Dizocilpine FindByFormula + C13737 221.1185 1.959 DL-alpha-Lipoic Acid "DL-alpha-Lipoic Acid [ C8 H14 O2 S2, db=94.36, tgt=, overall=94.36, CAS ID=1077-28-7, Lipid ID=LMFA01130001, KEGG ID=C00725, HMP ID=HMDB01451, METLIN ID=126 ]" 1077-28-7 "(207.05128, 9812.078)(208.05307, 814.2586)(209.0493, 782.215)" DL-alpha-Lipoic Acid FindByFormula HMDB01451 + C00725 LMFA01130001 206.0441 0.76513636 "D-myo-Inositol-1,3,4,5-tetraphosphate" "D-myo-Inositol-1,3,4,5-tetraphosphate [ C6 H16 O18 P4, db=78.87, tgt=, overall=78.87, CAS ID=102850-29-3, KEGG ID=C01272, HMP ID=HMDB01059, METLIN ID=5973 ]" 102850-29-3 "(498.92383, 3283.034)(499.9256, 369.818)(500.9206, 227.478)" "D-myo-Inositol-1,3,4,5-tetraphosphate" FindByFormula HMDB01059 - C01272 499.9287 16.4806 D-NMAPPD "D-NMAPPD [ C23 H38 N2 O5, db=61.52, tgt=, overall=61.52, CAS ID=35922-06-6, METLIN ID=44921 ]" 35922-06-6 "(423.28345, 4205.545)(424.28717, 1568.655)" D-NMAPPD FindByFormula + 422.2783 10.1485 "Docosanediol-1,14-disulfate" "Docosanediol-1,14-disulfate [ C22 H46 O8 S2, db=68.04, tgt=, overall=68.04, Lipid ID=LMFA00000016, METLIN ID=96745 ]" "(503.2683, 1807.3018)(504.2717, 620.9067)(505.26343, 186.76666)" "Docosanediol-1,14-disulfate" FindByFormula + LMFA00000016 502.2617 27.588333 "Docosanediol-1,14-disulfate + 26.99525" "Docosanediol-1,14-disulfate [ C22 H46 O8 S2, db=62.87, tgt=, overall=62.87, Lipid ID=LMFA00000016, METLIN ID=96745 ]" "(503.2683, 5100.387)(504.271, 1834.07)(505.2633, 359.36)" "Docosanediol-1,14-disulfate + 26.99525" FindByFormula + LMFA00000016 502.262 26.99525 "Docosanediol-1,14-disulfate + 27.008667" "Docosanediol-1,14-disulfate [ C22 H46 O8 S2, db=68.67, tgt=, overall=68.67, Lipid ID=LMFA00000016, METLIN ID=96745 ]" "(503.2683, 5485.1333)(504.27087, 1952.5399)(505.26422, 994.87)" "Docosanediol-1,14-disulfate + 27.008667" FindByFormula + LMFA00000016 502.262 27.008667 "Docosanediol-1,14-disulfate + 27.431997" "Docosanediol-1,14-disulfate [ C22 H46 O8 S2, db=65.75, tgt=, overall=65.75, Lipid ID=LMFA00000016, METLIN ID=96745 ]" "(503.26944, 1577.7787)(504.27252, 641.18427)(505.2636, 377.27)" "Docosanediol-1,14-disulfate + 27.431997" FindByFormula + LMFA00000016 502.2624 27.431997 "Dodecanoic acid, 3,7,11-trimethyl-; 3,7,11-Trimethyldodecanoic acid; Farnesanoic acid; Farnesylic acid, hexahydro-" "Dodecanoic acid, 3,7,11-trimethyl-; 3,7,11-Trimethyldodecanoic acid; Farnesanoic acid; Farnesylic acid, hexahydro- [ C15 H30 O2, db=78.48, tgt=, overall=78.48, Lipid ID=LMFA01020248, METLIN ID=73687 ]" "(265.2127, 3043.5085)(266.21515, 431.47375)" "Dodecanoic acid, 3,7,11-trimethyl-; 3,7,11-Trimethyldodecanoic acid; Farnesanoic acid; Farnesylic acid, hexahydro-" FindByFormula + LMFA01020248 264.2049 0.91650003 Dodecaprenyl diphosphate "Dodecaprenyl diphosphate [ C60 H100 O7 P2, db=83.51, tgt=, overall=83.51, HMP ID=HMDB12217, METLIN ID=62864 ]" "(1017.6845, 3825.6367)(1018.68463, 2483.8367)(1019.6906, 1280.5)" Dodecaprenyl diphosphate FindByFormula HMDB12217 + 1016.6741 15.6293335 Dolastatin 10 "Dolastatin 10 [ C42 H68 N6 O6 S, db=90.54, tgt=, overall=90.54, METLIN ID=65486 ]" "(785.50116, 5025.181)(786.504, 2304.8667)(787.50793, 801.378)(788.5178, 246.972)" Dolastatin 10 FindByFormula + 784.4936 17.896399 Dolastatin 10 + 17.5865 "Dolastatin 10 [ C42 H68 N6 O6 S, db=82.94, tgt=, overall=82.94, METLIN ID=65486 ]" "(785.49927, 4509.51)(786.50195, 1717.79)(787.5112, 624.74)" Dolastatin 10 + 17.5865 FindByFormula + 784.4906 17.5865 Dolastatin 10 + 17.619751 "Dolastatin 10 [ C42 H68 N6 O6 S, db=92.18, tgt=, overall=92.18, METLIN ID=65486 ]" "(785.49963, 4649.957)(786.5028, 1958.8501)(787.50635, 750.20245)" Dolastatin 10 + 17.619751 FindByFormula + 784.4913 17.619751 Dolastatin 10 + 17.629667 "Dolastatin 10 [ C42 H68 N6 O6 S, db=83.46, tgt=, overall=83.46, METLIN ID=65486 ]" "(785.49634, 10964.05)(786.5002, 4951.7734)(787.50433, 1342.2032)" Dolastatin 10 + 17.629667 FindByFormula + 784.4892 17.629667 Dolastatin 10 + 18.023 "Dolastatin 10 [ C42 H68 N6 O6 S, db=92.26, tgt=, overall=92.26, METLIN ID=65486 ]" "(785.5004, 4396.4165)(786.50385, 2102.66)(787.5088, 796.3467)(788.504, 237.84)" Dolastatin 10 + 18.023 FindByFormula + 784.491 18.023 Dolastatin 12 "Dolastatin 12 [ C50 H80 N8 O11, db=52.65, tgt=, overall=52.65, METLIN ID=65451 ]" "(967.58466, 1065.324)(968.5861, 608.166)" Dolastatin 12 FindByFormula - 968.5915 8.8352 Dolichotheline "Dolichotheline [ C10 H17 N3 O, db=82.83, tgt=, overall=82.83, CAS ID=23100-08-5, KEGG ID=C16696, METLIN ID=71289 ]" 23100-08-5 "(196.14458, 8848.13)(197.14374, 1174.9216)(198.1512, 514.91)(234.0999, 420.96)(218.1269, 937.3567)" Dolichotheline FindByFormula + C16696 195.1372 2.8006666 Dolichotheline + 2.852 "Dolichotheline [ C10 H17 N3 O, db=88.46, tgt=, overall=88.46, CAS ID=23100-08-5, KEGG ID=C16696, METLIN ID=71289 ]" 23100-08-5 "(196.14459, 3507.245)(197.1422, 390.09003)(198.1468, 68.64)(218.12689, 941.64)(219.1308, 222.54)" Dolichotheline + 2.852 FindByFormula + C16696 195.137 2.852 dolichyl beta-D-glucosyl phosphate "dolichyl beta-D-glucosyl phosphate [ C31 H55 O9 P, db=61.02, tgt=, overall=61.02, Lipid ID=LMPR03080014, KEGG ID=C01246, METLIN ID=53860 ]" "(601.3482, 1112.545)(602.3513, 417.09998)" dolichyl beta-D-glucosyl phosphate FindByFormula - C01246 LMPR03080014 602.3548 8.2345 Dolichyl-19 phosphate "Dolichyl-19 phosphate [ C95 H157 O4 P, db=16.38, tgt=, overall=16.38, CAS ID=, Lipid ID=LMPR03080001, METLIN ID=3915 ]" "(1416.1738, 44818.445)(1416.6725, 19513.742)(1417.1692, 5820.068)(1417.6625, 3099.4365)(1418.185, 2279.57)" Dolichyl-19 phosphate FindByFormula + LMPR03080001 2830.328 9.9144 Donepezil "Donepezil [ C24 H29 N O3, db=0.00, tgt=, overall=0.00, CAS ID=120014-06-4, KEGG ID=D07869, HMP ID=HMDB05041, METLIN ID=45505 ]" 120014-06-4 "(380.22165, 1443.74)(380.72162, 720.96)" Donepezil FindByFormula HMDB05041 + D07869 758.4235 6.9035 Dopaxanthin "Dopaxanthin [ C18 H18 N2 O8, db=69.72, tgt=, overall=69.72, CAS ID=71199-31-0, KEGG ID=C08543, HMP ID=HMDB12221, METLIN ID=62868 ]" 71199-31-0 "(391.1137, 1962.455)(392.1101, 441.8)" Dopaxanthin FindByFormula HMDB12221 + C08543 390.1048 1.299 Dorzolamide "Dorzolamide [ C10 H16 N2 O4 S3, db=54.43, tgt=, overall=54.43, CAS ID=120279-96-1, KEGG ID=C06969, HMP ID=HMDB15007, METLIN ID=2393 ]" 120279-96-1 "(323.02148, 2093.78)(324.02286, 219.816)" Dorzolamide FindByFormula HMDB15007 - C06969 324.0282 7.8119993 DPA "DPA [ C22 H34 O2, db=71.68, tgt=, overall=71.68, Lipid ID=LMFA04000049, METLIN ID=46021 ]" "(331.26385, 2323.45)(332.2654, 738.77)(353.2464, 1489.9)" DPA FindByFormula + LMFA04000049 330.2574 20.8695 D-Phenylalanine "D-Phenylalanine [ C9 H11 N O2, db=97.29, tgt=, overall=97.29, CAS ID=673-06-3, KEGG ID=C02265, METLIN ID=63528 ]" 673-06-3 "(166.08577, 762827.4)(167.08978, 68799.31)(168.09209, 6199.283)(169.09224, 571.43396)(188.06747, 2879.0142)(189.06822, 290.3207)" D-Phenylalanine FindByFormula + C02265 165.0773 1.9366109 Drotaverine "Drotaverine [ C24 H31 N O4, db=63.92, tgt=, overall=63.92, CAS ID=985-12-6, HMP ID=HMDB15669, METLIN ID=85578 ]" 985-12-6 "(817.4399, 13396.98)(818.4447, 5701.2)(409.22165, 7751.266)(410.2251, 2163.953)(411.2276, 411.01715)" Drotaverine FindByFormula HMDB15669 + 408.2213 8.851364 D-Tryptophan "D-Tryptophan [ C11 H12 N2 O2, db=98.85, tgt=, overall=98.85, CAS ID=153-94-6, KEGG ID=C00525, HMP ID=HMDB13609, METLIN ID=65364 ]" 153-94-6 "(205.09758, 39352.32)(206.10077, 5286.2153)(207.10399, 527.1434)(208.10474, 69.537506)(243.04991, 1543.5715)(227.0796, 7309.8667)(228.08229, 945.906)(229.08594, 216.648)" D-Tryptophan FindByFormula HMDB13609 + C00525 204.0903 4.4364057 D-Tryptophan - 4.3917 "D-Tryptophan [ C11 H12 N2 O2, db=85.83, tgt=, overall=85.83, CAS ID=153-94-6, KEGG ID=C00525, HMP ID=HMDB13609, METLIN ID=65364 ]" 153-94-6 "(203.08305, 1562.8369)(204.0854, 211.467)" D-Tryptophan - 4.3917 FindByFormula HMDB13609 - C00525 204.0896 4.3917 D-Tryptophan + 4.4443927 "D-Tryptophan [ C11 H12 N2 O2, db=98.67, tgt=, overall=98.67, CAS ID=153-94-6, KEGG ID=C00525, HMP ID=HMDB13609, METLIN ID=65364 ]" 153-94-6 "(205.09761, 42851.84)(206.10075, 5839.522)(207.10359, 678.23706)(243.0497, 1528.0709)(227.07933, 8049.3228)(228.08197, 1061.5326)(229.08313, 168.31999)" D-Tryptophan + 4.4443927 FindByFormula HMDB13609 + C00525 204.09 4.4443927 D-Tryptophan + 4.448276 "D-Tryptophan [ C11 H12 N2 O2, db=98.78, tgt=, overall=98.78, CAS ID=153-94-6, KEGG ID=C00525, HMP ID=HMDB13609, METLIN ID=65364 ]" 153-94-6 "(205.09761, 41135.023)(206.10078, 5485.6416)(207.10353, 618.7437)(208.0998, 25.17)(243.04935, 2023.0734)(227.07906, 8176.748)(228.0818, 1143.3715)" D-Tryptophan + 4.448276 FindByFormula HMDB13609 + C00525 204.0902 4.448276 Dukunolide D "Dukunolide D [ C26 H28 O8, db=92.92, tgt=, overall=92.92, CAS ID=101560-02-5, HMP ID=HMDB35732, METLIN ID=90987 ]" 101560-02-5 "(469.1872, 5502.5522)(470.19037, 1360.786)(471.19147, 240.22049)" Dukunolide D FindByFormula HMDB35732 + 468.1801 13.558749 dUMP "dUMP [ C9 H13 N2 O8 P, db=77.43, tgt=, overall=77.43, CAS ID=964-26-1, KEGG ID=C00365, METLIN ID=3440 ]" 964-26-1 "(309.04776, 7611.7305)(310.05002, 1312.4332)(311.04898, 680.56335)" dUMP FindByFormula + C00365 308.0398 1.3826666 D-Urobilin "D-Urobilin [ C33 H40 N4 O6, db=84.46, tgt=, overall=84.46, CAS ID=3947-38-4, KEGG ID=C05795, HMP ID=HMDB04161, METLIN ID=58223 ]" 3947-38-4 "(589.30206, 2529.0767)(590.3072, 859.1167)(591.3152, 264.19666)(611.2841, 2234.4568)(612.29047, 894.5434)" D-Urobilin FindByFormula HMDB04161 + C05795 588.2952 24.865667 D-Urobilin + 9.091249 "D-Urobilin [ C33 H40 N4 O6, db=67.17, tgt=, overall=67.17, CAS ID=3947-38-4, KEGG ID=C05795, HMP ID=HMDB04161, METLIN ID=58223 ]" 3947-38-4 "(589.304, 56242.69)(590.30396, 22153.49)(611.28467, 3920.88)" D-Urobilin + 9.091249 FindByFormula HMDB04161 + C05795 588.2946 9.091249 D-Urobilin + 9.850636 "D-Urobilin [ C33 H40 N4 O6, db=73.69, tgt=, overall=73.69, CAS ID=3947-38-4, KEGG ID=C05795, HMP ID=HMDB04161, METLIN ID=58223 ]" 3947-38-4 "(589.3027, 13375.45)(590.30493, 5151.478)(611.2852, 1017.7934)" D-Urobilin + 9.850636 FindByFormula HMDB04161 + C05795 588.2954 9.850636 D-Urobilinogen "D-Urobilinogen [ C33 H42 N4 O6, db=70.16, tgt=, overall=70.16, CAS ID=17208-65-0, KEGG ID=C05791, HMP ID=HMDB04158, METLIN ID=7021 ]" 17208-65-0 "(296.1665, 2522.77)(296.6673, 907.54)(591.3183, 168228.28)(592.32214, 62186.492)(593.32806, 37811.34)(594.3312, 10654.717)(595.3415, 3357.8135)(629.27313, 3874.0188)(630.2745, 1641.1342)(631.28156, 674.35)(613.30286, 18421.568)(614.30414, 7170.249)(615.3134, 2914.0715)(616.31537, 730.225)" D-Urobilinogen FindByFormula HMDB04158 + C05791 590.3098 9.105133 D-Urobilinogen + 9.0924 "D-Urobilinogen [ C33 H42 N4 O6, db=51.74, tgt=, overall=51.74, CAS ID=17208-65-0, KEGG ID=C05791, HMP ID=HMDB04158, METLIN ID=7021 ]" 17208-65-0 "(613.30225, 9928.615)(614.30383, 3818.58)(615.3122, 2883.9438)(616.3174, 1348.155)" D-Urobilinogen + 9.0924 FindByFormula HMDB04158 + C05791 612.2952 9.0924 D-Urobilinogen + 9.106909 "D-Urobilinogen [ C33 H42 N4 O6, db=93.42, tgt=, overall=93.42, CAS ID=17208-65-0, KEGG ID=C05791, HMP ID=HMDB04158, METLIN ID=7021 ]" 17208-65-0 "(591.31714, 198281.11)(592.3202, 73047.68)(593.3258, 24647.83)(613.3021, 1038.21)" D-Urobilinogen + 9.106909 FindByFormula HMDB04158 + C05791 590.3068 9.106909 D-Urobilinogen + 9.107077 "D-Urobilinogen [ C33 H42 N4 O6, mfg=87.86, db=87.86, tgt=, overall=87.86, CAS ID=17208-65-0, KEGG ID=C05791, HMP ID=HMDB04158, METLIN ID=7021 ]" 17208-65-0 "(591.3179, 182110.86)(592.3209, 67027.63)(593.3269, 27706.418)(594.3189, 366.83)(629.2648, 199.41)" D-Urobilinogen + 9.107077 FindByFormula HMDB04158 + C05791 590.309 9.107077 D-Urobilinogen + 9.818334 "D-Urobilinogen [ C33 H42 N4 O6, db=67.63, tgt=, overall=67.63, CAS ID=17208-65-0, KEGG ID=C05791, HMP ID=HMDB04158, METLIN ID=7021 ]" 17208-65-0 "(591.31866, 7956.09)(592.324, 3084.68)" D-Urobilinogen + 9.818334 FindByFormula HMDB04158 + C05791 590.316 9.818334 E-64d "E-64d [ C17 H30 N2 O5, db=80.26, tgt=, overall=80.26, CAS ID=88321-09-9, METLIN ID=64821 ]" 88321-09-9 "(365.20544, 3136.1802)(366.20966, 676.445)" E-64d FindByFormula + 364.1992 16.222 E-64d + 15.6985 "E-64d [ C17 H30 N2 O5, db=76.87, tgt=, overall=76.87, CAS ID=88321-09-9, METLIN ID=64821 ]" 88321-09-9 "(365.20566, 3125.71)(366.20786, 768.225)" E-64d + 15.6985 FindByFormula + 364.1993 15.6985 Echinasteroside C 15-O-sulfate "Echinasteroside C 15-O-sulfate [ C33 H56 O13 S, db=67.65, tgt=, overall=67.65, CAS ID=1141923-25-2, Lipid ID=LMST05050018, METLIN ID=84938 ]" 1141923-25-2 "(715.33417, 2695.2742)(716.3331, 1577.9629)(717.3344, 902.7399)(718.33374, 329.18665)" Echinasteroside C 15-O-sulfate FindByFormula + LMST05050018 714.3237 18.293858 ECO 02301 "ECO 02301 [ C70 H108 N2 O20, db=66.12, tgt=, overall=66.12, KEGG ID=C15717, METLIN ID=71048 ]" "(1319.7363, 1576.5349)(1320.7346, 1510.7351)(1321.7449, 822.69)" ECO 02301 FindByFormula + C15717 1318.728 24.269001 Ectoine "Ectoine [ C6 H10 N2 O2, db=98.74, tgt=, overall=98.74, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(165.06354, 58564.797)(166.06718, 4589.636)(167.06995, 560.55994)" Ectoine FindByFormula + C06231 164.0558 8.668867 Ectoine + 1.3921429 "Ectoine [ C6 H10 N2 O2, db=96.21, tgt=, overall=96.21, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(285.159, 223.93)(307.13275, 4151.2646)(308.13538, 460.4275)(309.13464, 438.58997)(143.08124, 1903.4475)(144.08304, 167.33665)(181.0383, 677.65)(165.06316, 15563.29)(166.06743, 1130.7343)(167.06633, 348.976)" Ectoine + 1.3921429 FindByFormula + C06231 142.0742 1.3921429 Ectoine + 1.3938333 "Ectoine [ C6 H10 N2 O2, db=80.54, tgt=, overall=80.54, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(165.06291, 13025.446)(166.06831, 1074.535)" Ectoine + 1.3938333 FindByFormula + C06231 164.0564 1.3938333 Ectoine + 11.0645 "Ectoine [ C6 H10 N2 O2, db=78.28, tgt=, overall=78.28, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(165.06364, 2979.65)(166.06755, 357.125)" Ectoine + 11.0645 FindByFormula + C06231 164.0562 11.0645 Ectoine + 7.2086663 "Ectoine [ C6 H10 N2 O2, db=80.21, tgt=, overall=80.21, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(165.0638, 19404.68)(166.06895, 1605.3766)" Ectoine + 7.2086663 FindByFormula + C06231 164.056 7.2086663 Ectoine + 7.77425 "Ectoine [ C6 H10 N2 O2, db=95.20, tgt=, overall=95.20, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(165.06392, 4296.3223)(166.0655, 356.33002)(167.0718, 93.02)" Ectoine + 7.77425 FindByFormula + C06231 164.0546 7.77425 Ectoine + 8.674333 "Ectoine [ C6 H10 N2 O2, db=82.13, tgt=, overall=82.13, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(165.06406, 60554.453)(166.06827, 4877.5024)" Ectoine + 8.674333 FindByFormula + C06231 164.0568 8.674333 Ectoine + 8.675945 "Ectoine [ C6 H10 N2 O2, db=84.44, tgt=, overall=84.44, CAS ID=96702-03-3, KEGG ID=C06231, METLIN ID=43384 ]" 96702-03-3 "(165.06395, 71912.125)(166.06775, 5718.7886)" Ectoine + 8.675945 FindByFormula + C06231 164.0568 8.675945 Edifenphos "Edifenphos [ C14 H15 O2 P S2, db=67.46, tgt=, overall=67.46, CAS ID=17109-49-8, KEGG ID=C14436, HMP ID=HMDB31781, METLIN ID=70059 ]" 17109-49-8 "(311.03214, 3608.4653)(312.03552, 559.5751)" Edifenphos FindByFormula HMDB31781 + C14436 310.0243 4.3768 Edulane "Edulane [ C22 H24 O5, mfg=96.71, db=96.70, tgt=, overall=96.70, Lipid ID=LMPK12070102, METLIN ID=48190 ]" "(369.1692, 5052.2456)(370.1725, 1352.3213)(371.17218, 231.7)" Edulane FindByFormula + LMPK12070102 368.1611 11.8405 Edulane + 11.767222 "Edulane [ C22 H24 O5, db=96.04, tgt=, overall=96.04, Lipid ID=LMPK12070102, METLIN ID=48190 ]" "(369.16943, 4245.711)(370.17294, 1182.3723)(371.17294, 234.4725)" Edulane + 11.767222 FindByFormula + LMPK12070102 368.1647 11.767222 Edulenol "Edulenol [ C22 H24 O5, db=92.81, tgt=, overall=92.81, Lipid ID=LMPK12070100, METLIN ID=48188 ]" "(391.15253, 4361.8296)(392.15485, 1256.5488)(393.15552, 132.65334)" Edulenol FindByFormula + LMPK12070100 390.1465 14.848599 Edulenol + 14.851609 "Edulenol [ C22 H24 O5, db=96.13, tgt=, overall=96.13, Lipid ID=LMPK12070100, METLIN ID=48188 ]" "(391.1526, 5149.1914)(392.15536, 1361.139)(393.1559, 187.92125)" Edulenol + 14.851609 FindByFormula + LMPK12070100 390.1448 14.851609 Edulenol + 15.3335 "Edulenol [ C22 H24 O5, db=81.46, tgt=, overall=81.46, Lipid ID=LMPK12070100, METLIN ID=48188 ]" "(391.1527, 1921.2)(392.1538, 580.20996)(393.1498, 125.25)" Edulenol + 15.3335 FindByFormula + LMPK12070100 390.1451 15.3335 Edulenol + 15.337333 "Edulenol [ C22 H24 O5, db=88.18, tgt=, overall=88.18, Lipid ID=LMPK12070100, METLIN ID=48188 ]" "(391.15225, 2359.7656)(392.15552, 673.3767)(393.15283, 186.35002)" Edulenol + 15.337333 FindByFormula + LMPK12070100 390.1454 15.337333 Edulenol + 15.355733 "Edulenol [ C22 H24 O5, db=93.50, tgt=, overall=93.50, Lipid ID=LMPK12070100, METLIN ID=48188 ]" "(391.15152, 1835.7567)(392.15527, 526.73804)(393.15457, 123.52)" Edulenol + 15.355733 FindByFormula + LMPK12070100 390.1433 15.355733 Edulenol + 15.367416 "Edulenol [ C22 H24 O5, db=76.36, tgt=, overall=76.36, Lipid ID=LMPK12070100, METLIN ID=48188 ]" "(391.15274, 2559.7693)(392.15698, 702.49)(393.15515, 345.555)" Edulenol + 15.367416 FindByFormula + LMPK12070100 390.1457 15.367416 Edulenol + 15.577715 "Edulenol [ C22 H24 O5, db=98.18, tgt=, overall=98.18, Lipid ID=LMPK12070100, METLIN ID=48188 ]" "(759.30774, 173.56749)(369.17035, 4537.9155)(370.1738, 1050.8)(371.17505, 193.55571)(407.1258, 478.81)(391.1523, 1518.925)" Edulenol + 15.577715 FindByFormula + LMPK12070100 368.1607 15.577715 Eicosanoyl-EA "Eicosanoyl-EA [ C22 H45 N O2, db=31.52, tgt=, overall=31.52, CAS ID=94421-69-9, Lipid ID=LMFA08040038, METLIN ID=3723 ]" 94421-69-9 "(356.35236, 4918.835)(356.8465, 231.165)(357.35596, 1320.25)" Eicosanoyl-EA FindByFormula + LMFA08040038 710.6898 14.4085 Eicosanoyl-EA + 14.388333 "Eicosanoyl-EA [ C22 H45 N O2, db=92.55, tgt=, overall=92.55, CAS ID=94421-69-9, Lipid ID=LMFA08040038, METLIN ID=3723 ]" 94421-69-9 "(356.35193, 3324.923)(357.35605, 864.1966)(358.35892, 286.05334)" Eicosanoyl-EA + 14.388333 FindByFormula + LMFA08040038 355.3452 14.388333 Elaeokanine C "Elaeokanine C [ C12 H21 N O2, db=98.68, tgt=, overall=98.68, CAS ID=33023-03-9, KEGG ID=C10592, METLIN ID=68413 ]" 33023-03-9 "(212.16502, 105245.266)(213.16814, 15013.857)(214.17088, 1667.2567)" Elaeokanine C FindByFormula + C10592 211.1579 2.39375 Elaeokanine C + 9.5946665 "Elaeokanine C [ C12 H21 N O2, db=66.55, tgt=, overall=66.55, CAS ID=33023-03-9, KEGG ID=C10592, METLIN ID=68413 ]" 33023-03-9 "(212.1645, 3248.9668)(213.16206, 623.7733)" Elaeokanine C + 9.5946665 FindByFormula + C10592 211.1582 9.5946665 Eledoisin "Eledoisin [ C54 H85 N13 O15 S, db=68.47, tgt=, overall=68.47, KEGG ID=C20029, METLIN ID=73514 ]" "(616.78925, 9983.87)(617.29755, 5610.525)(617.7942, 2732.165)" Eledoisin FindByFormula + C20029 1231.5554 6.896 Emblicanin B "Emblicanin B [ C34 H20 O22, db=0.00, tgt=, overall=0.00, CAS ID=180465-45-6, HMP ID=HMDB30436, METLIN ID=86977 ]" 180465-45-6 "(1516.1198, 239.228)(758.566, 8787.735)(759.5714, 3942.4849)(781.05255, 9211.801)(781.8409, 4056.3257)(782.56305, 8352.886)(783.5676, 5149.73)(784.57855, 4606.1636)(785.588, 1447.7151)" Emblicanin B FindByFormula HMDB30436 + 757.5593 20.186127 Enalkiren "Enalkiren [ C35 H56 N6 O6, db=68.20, tgt=, overall=68.20, CAS ID=113082-98-7, KEGG ID=C07466, METLIN ID=66653 ]" 113082-98-7 "(655.4197, 1035.48)(656.41907, 378.195)" Enalkiren FindByFormula - C07466 656.4211 7.097 Endecaphyllin X "Endecaphyllin X [ C18 H24 N4 O18, db=48.02, tgt=, overall=48.02, CAS ID=19896-10-7, METLIN ID=44079 ]" 19896-10-7 "(607.09503, 953.0251)(608.09937, 385.11166)(609.0954, 450.84335)(629.08716, 660.49664)" Endecaphyllin X FindByFormula + 606.0908 11.847333 Enhydrin "Enhydrin [ C23 H28 O10, db=72.05, tgt=, overall=72.05, CAS ID=33880-85-2, KEGG ID=C09405, METLIN ID=67667 ]" 33880-85-2 "(463.1588, 1583.6799)(464.1633, 396.15)" Enhydrin FindByFormula - C09405 464.166 8.6154995 ent-15-epi-15-iso-LGE2 "ent-15-epi-15-iso-LGE2 [ C20 H32 O5, db=95.60, tgt=, overall=95.60, Lipid ID=LMFA03100006, METLIN ID=75060 ]" "(353.23123, 10637.77)(354.23486, 2422.114)(355.23303, 253.22998)(375.2107, 587.1)(376.2057, 62.76)" ent-15-epi-15-iso-LGE2 FindByFormula + LMFA03100006 352.2245 10.1546 ent-15-epi-15-iso-LGE2 + 10.207601 "ent-15-epi-15-iso-LGE2 [ C20 H32 O5, db=95.57, tgt=, overall=95.57, Lipid ID=LMFA03100006, METLIN ID=75060 ]" "(705.4711, 350.56)(353.23102, 10710.118)(354.23495, 2441.83)(355.24048, 280.34)" ent-15-epi-15-iso-LGE2 + 10.207601 FindByFormula + LMFA03100006 352.2231 10.207601 Epimedin C "Epimedin C [ C39 H50 O19, db=63.14, tgt=, overall=63.14, Lipid ID=LMPK12112015, METLIN ID=50431 ]" "(801.3159, 1526.8625)(802.3223, 711.885)(839.27075, 641.06)(823.2996, 2243.67)(824.30225, 930.185)(825.2999, 608.645)" Epimedin C FindByFormula + LMPK12112015 800.3144 2.4980001 Epimedin C + 6.727 "Epimedin C [ C39 H50 O19, db=54.84, tgt=, overall=54.84, Lipid ID=LMPK12112015, METLIN ID=50431 ]" "(423.1496, 1011.36)(423.6479, 484.0)(845.28613, 1131.685)(846.2854, 695.78503)(867.262, 970.02)(868.2722, 679.89)" Epimedin C + 6.727 FindByFormula + LMPK12112015 844.28 6.727 Epirubicin glucuronide "Epirubicin glucuronide [ C33 H37 N O17, db=63.54, tgt=, overall=63.54, CAS ID=92137-84-3, METLIN ID=655 ]" 92137-84-3 "(718.2, 1818.5133)(719.20624, 626.00665)" Epirubicin glucuronide FindByFormula - 719.205 14.530666 Eplerenone "Eplerenone [ C24 H30 O6, db=99.42, tgt=, overall=99.42, CAS ID=107724-20-9, KEGG ID=C12512, HMP ID=HMDB14838, METLIN ID=69451 ]" 107724-20-9 "(437.19354, 166216.97)(438.1967, 46586.96)(439.19955, 8964.761)(440.2002, 511.7)" Eplerenone FindByFormula HMDB14838 + C12512 436.1877 13.028003 Eplerenone + 13.032263 "Eplerenone [ C24 H30 O6, db=99.36, tgt=, overall=99.36, CAS ID=107724-20-9, KEGG ID=C12512, HMP ID=HMDB14838, METLIN ID=69451 ]" 107724-20-9 "(437.19366, 162417.14)(438.1968, 45281.273)(439.19928, 8138.0493)" Eplerenone + 13.032263 FindByFormula HMDB14838 + C12512 436.1862 13.032263 Eprosartan "Eprosartan [ C23 H24 N2 O4 S, db=96.54, tgt=, overall=96.54, CAS ID=133040-01-4, KEGG ID=C07467, HMP ID=HMDB15014, METLIN ID=66654 ]" 133040-01-4 "(425.15265, 30892.855)(426.1562, 7792.5557)(427.15347, 1591.9199)(428.1496, 572.93)" Eprosartan FindByFormula HMDB15014 + C07467 424.148 11.5335 Ergocristine "Ergocristine [ C35 H39 N5 O5, db=56.73, tgt=, overall=56.73, CAS ID=511-08-0, KEGG ID=C09164, METLIN ID=67478 ]" 511-08-0 "(632.28723, 463.235)(633.2859, 175.83499)(634.28564, 194.965)" Ergocristine FindByFormula + C09164 631.2809 14.8315 "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-" "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- [ C17 H22 N2 O3, db=96.55, tgt=, overall=96.55, CAS ID=105115-79-5, METLIN ID=1514 ]" 105115-79-5 "(303.1702, 9636.435)(304.17426, 2001.5186)(305.1805, 349.45667)(325.15143, 1300.03)(326.1537, 503.26)" "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)-" FindByFormula + 302.1629 10.549571 "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- + 12.0060005" "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- [ C17 H22 N2 O3, db=86.90, tgt=, overall=86.90, CAS ID=105115-79-5, METLIN ID=1514 ]" 105115-79-5 "(303.1701, 3865.6152)(304.17578, 672.04)(305.17694, 258.015)" "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- + 12.0060005" FindByFormula + 302.1631 12.0060005 "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- + 9.854" "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- [ C17 H22 N2 O3, db=81.67, tgt=, overall=81.67, CAS ID=105115-79-5, METLIN ID=1514 ]" 105115-79-5 "(303.17, 2091.1565)(304.173, 490.41003)(325.15234, 229.95999)" "Ergoline-1,8-dimethanol, 10-methoxy-, (8b)- + 9.854" FindByFormula + 302.1628 9.854 Ergosine "Ergosine [ C30 H37 N5 O5, db=73.00, tgt=, overall=73.00, CAS ID=561-94-4, KEGG ID=C09167, METLIN ID=67481 ]" 561-94-4 "(546.2749, 5037.6235)(547.27826, 1314.7833)(548.2839, 423.45337)" Ergosine FindByFormula - C09167 547.2812 15.125999 "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether" "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether [ C22 H24 O6, db=68.56, tgt=, overall=68.56, Lipid ID=LMPK12140584, METLIN ID=53061 ]" "(407.14764, 2228.6274)(408.14972, 738.9005)" "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether" FindByFormula + LMPK12140584 406.1397 12.755705 "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether + 13.047625" "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether [ C22 H24 O6, db=65.71, tgt=, overall=65.71, Lipid ID=LMPK12140584, METLIN ID=53061 ]" "(407.14655, 1464.9762)(408.15088, 542.20123)" "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether + 13.047625" FindByFormula + LMPK12140584 406.14 13.047625 "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether + 13.13475" "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether [ C22 H24 O6, db=68.58, tgt=, overall=68.58, Lipid ID=LMPK12140584, METLIN ID=53061 ]" "(407.14697, 1183.275)(408.1505, 414.6825)" "Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether + 13.13475" FindByFormula + LMPK12140584 406.1408 13.13475 "Erythrono-1,4-lactone" "Erythrono-1,4-lactone [ C4 H6 O4, db=83.87, tgt=, overall=83.87, CAS ID=17675-99-9, HMP ID=HMDB00349, METLIN ID=5338 ]" 17675-99-9 "(117.0195, 7519.53)(118.025375, 368.5325)" "Erythrono-1,4-lactone" FindByFormula HMDB00349 - 118.0265 1.30575 Erythronolide B "Erythronolide B [ C21 H38 O7, db=74.32, tgt=, overall=74.32, CAS ID=, KEGG ID=C06635, METLIN ID=63708 ]" "(425.251, 2257.82)(426.25095, 559.125)(447.2292, 162.69)" Erythronolide B FindByFormula + C06635 424.2435 1.784 Esmolol "Esmolol [ C16 H25 N O4, db=59.95, tgt=, overall=59.95, CAS ID=103598-03-4, KEGG ID=C06980, HMP ID=HMDB14333, METLIN ID=2576 ]" 103598-03-4 "(318.16785, 3687.315)(319.1673, 792.80994)(320.1722, 4182.31)" Esmolol FindByFormula HMDB14333 + C06980 317.1604 1.691 "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate" "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate [ C24 H30 O6, db=98.98, tgt=, overall=98.98, KEGG ID=C15440, METLIN ID=70909 ]" "(415.2114, 8947.836)(416.2145, 2579.1943)(417.21454, 488.70197)(453.16754, 52637.22)(454.17084, 14588.454)(455.1679, 6206.5913)(456.1692, 1561.6737)(457.17325, 531.775)(437.194, 163851.58)(438.1971, 45894.65)(439.1994, 8273.062)(440.20178, 1208.4435)" "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate" FindByFormula + C15440 414.2048 13.029557 "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate + 13.0296" "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate [ C24 H30 O6, db=98.17, tgt=, overall=98.17, KEGG ID=C15440, METLIN ID=70909 ]" "(437.19412, 189822.52)(438.19708, 54014.69)(439.19962, 9791.742)" "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate + 13.0296" FindByFormula + C15440 436.1882 13.0296 "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate + 13.030281" "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate [ C24 H30 O6, db=98.98, tgt=, overall=98.98, KEGG ID=C15440, METLIN ID=70909 ]" "(437.1939, 175472.16)(438.19702, 49166.3)(439.19946, 8828.886)" "Estra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate + 13.030281" FindByFormula + C15440 436.1866 13.030281 "estrane-3alpha,17alpha-diol" "estrane-3alpha,17alpha-diol [ C18 H30 O2, mfg=90.90, db=90.90, tgt=, overall=90.90, KEGG ID=C15201, METLIN ID=41821 ]" "(279.23203, 5465.474)(280.23422, 1204.2211)(281.23566, 354.63004)(317.18823, 1349.375)(318.19424, 377.64)" "estrane-3alpha,17alpha-diol" FindByFormula + C15201 278.2243 15.379001 "estrane-3alpha,17alpha-diol + 10.3995" "estrane-3alpha,17alpha-diol [ C18 H30 O2, mfg=71.48, db=71.39, tgt=, overall=71.43, KEGG ID=C15201, METLIN ID=41821 ]" "(279.23105, 1528.145)(280.23584, 427.89502)" "estrane-3alpha,17alpha-diol + 10.3995" FindByFormula + C15201 278.2246 10.3995 Ethambutol aldehyde "Ethambutol aldehyde [ C10 H20 N2 O2, db=83.97, tgt=, overall=83.97, CAS ID=502-25-0, METLIN ID=2588 ]" 502-25-0 "(223.14105, 4301.44)(224.14415, 607.39)" Ethambutol aldehyde FindByFormula + 222.1339 6.3304996 Ethephon "Ethephon [ C2 H6 Cl O3 P, db=73.74, tgt=, overall=73.74, CAS ID=16672-87-0, KEGG ID=C18399, METLIN ID=72208 ]" 16672-87-0 "(144.98212, 10077.681)(145.98276, 670.38446)(146.98036, 4799.9287)(147.98221, 299.80402)" Ethephon FindByFormula + C18399 143.975 26.056376 Ethephon + 24.198778 "Ethephon [ C2 H6 Cl O3 P, db=68.25, tgt=, overall=68.25, CAS ID=16672-87-0, KEGG ID=C18399, METLIN ID=72208 ]" 16672-87-0 "(144.9819, 3375.501)(145.98201, 220.01447)(146.98003, 1775.759)" Ethephon + 24.198778 FindByFormula + C18399 143.9744 24.198778 Ethephon + 25.5705 "Ethephon [ C2 H6 Cl O3 P, db=63.56, tgt=, overall=63.56, CAS ID=16672-87-0, KEGG ID=C18399, METLIN ID=72208 ]" 16672-87-0 "(144.9823, 2335.16)(145.98001, 157.185)(146.97986, 1306.265)" Ethephon + 25.5705 FindByFormula + C18399 143.9754 25.5705 Ethephon + 25.578 "Ethephon [ C2 H6 Cl O3 P, db=78.50, tgt=, overall=78.50, CAS ID=16672-87-0, KEGG ID=C18399, METLIN ID=72208 ]" 16672-87-0 "(144.98215, 2297.274)(145.98288, 106.40599)(146.97998, 1083.7899)(147.97945, 95.13333)" Ethephon + 25.578 FindByFormula + C18399 143.9749 25.578 Ethephon + 26.045315 "Ethephon [ C2 H6 Cl O3 P, db=76.97, tgt=, overall=76.97, CAS ID=16672-87-0, KEGG ID=C18399, METLIN ID=72208 ]" 16672-87-0 "(144.98206, 10262.738)(145.98328, 667.499)(146.98027, 4791.754)(147.98235, 313.77414)" Ethephon + 26.045315 FindByFormula + C18399 143.975 26.045315 Ethephon + 26.073633 "Ethephon [ C2 H6 Cl O3 P, db=78.40, tgt=, overall=78.40, CAS ID=16672-87-0, KEGG ID=C18399, METLIN ID=72208 ]" 16672-87-0 "(144.98186, 9398.137)(145.98286, 620.3947)(146.98013, 4315.56)(147.98251, 309.26532)" Ethephon + 26.073633 FindByFormula + C18399 143.9743 26.073633 Ethyl 4-methylphenoxyacetate "Ethyl 4-methylphenoxyacetate [ C11 H14 O3, db=83.33, tgt=, overall=83.33, CAS ID=67028-40-4, HMP ID=HMDB34206, METLIN ID=89776 ]" 67028-40-4 "(193.0874, 3475.375)(194.09201, 383.53)" Ethyl 4-methylphenoxyacetate FindByFormula HMDB34206 - 194.0947 9.476 Euchretin C "Euchretin C [ C30 H32 O7, db=82.06, tgt=, overall=82.06, Lipid ID=LMPK12160009, METLIN ID=53188 ]" "(527.2041, 2816.7832)(528.20874, 1129.2866)(529.20734, 464.01334)" Euchretin C FindByFormula + LMPK12160009 526.1957 17.004333 Eudesmin "Eudesmin [ C22 H26 O6, db=95.14, tgt=, overall=95.14, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.16086, 1571216.5)(410.16504, 350152.72)(411.16824, 58081.754)(412.1711, 7450.0654)(413.1653, 484.4)" Eudesmin FindByFormula + C10561 408.1533 11.808541 Eudesmin + 11.298819 "Eudesmin [ C22 H26 O6, db=93.50, tgt=, overall=93.50, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.16055, 403695.97)(410.16403, 94661.945)(411.1681, 17910.264)(412.17102, 2367.7231)(413.1736, 542.15)" Eudesmin + 11.298819 FindByFormula + C10561 408.1511 11.298819 Eudesmin + 11.3025 "Eudesmin [ C22 H26 O6, db=91.91, tgt=, overall=91.91, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.16034, 413359.94)(410.1639, 95927.6)(411.16815, 18550.324)(412.17175, 2879.5234)(413.1768, 790.59753)" Eudesmin + 11.3025 FindByFormula + C10561 408.1522 11.3025 Eudesmin + 11.3045 "Eudesmin [ C22 H26 O6, db=99.49, tgt=, overall=99.49, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(795.33417, 241.8875)(796.33795, 68.225006)(387.1797, 21453.629)(388.18323, 5230.3)(389.18753, 994.1367)(425.1397, 68197.95)(426.14337, 17151.338)(427.13803, 9366.694)(428.1375, 2233.6401)(429.139, 363.58)(409.16193, 413327.06)(410.16534, 97420.75)(411.16946, 18387.605)(412.1731, 2867.766)(413.1728, 865.93)" Eudesmin + 11.3045 FindByFormula + C10561 386.174 11.3045 Eudesmin + 11.305088 "Eudesmin [ C22 H26 O6, db=99.62, tgt=, overall=99.62, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.3034, 155.73)(795.3325, 306.3533)(796.3351, 146.804)(797.3155, 198.6)(387.1794, 22932.12)(388.18286, 5641.546)(389.1873, 1073.2073)(390.1831, 316.09)(425.13742, 72349.83)(426.1409, 18162.828)(427.1357, 8988.763)(428.1367, 2015.7899)(429.13147, 329.985)(409.16193, 383305.9)(410.1652, 92420.07)(411.1693, 17331.188)(412.17334, 2269.0774)(413.1732, 439.78998)" Eudesmin + 11.305088 FindByFormula + C10561 386.1716 11.305088 Eudesmin + 11.306222 "Eudesmin [ C22 H26 O6, db=98.34, tgt=, overall=98.34, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(795.33594, 150.69)(387.1794, 19643.496)(388.183, 4658.759)(389.18732, 938.0743)(425.13907, 61536.85)(426.14258, 15250.919)(427.13605, 8386.9)(428.13614, 1903.166)(409.1614, 359561.66)(410.16476, 86216.1)(411.16873, 16284.696)(412.1732, 3322.2136)" Eudesmin + 11.306222 FindByFormula + C10561 386.1703 11.306222 Eudesmin + 11.306666 "Eudesmin [ C22 H26 O6, db=96.58, tgt=, overall=96.58, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(795.3434, 155.92499)(387.17944, 17602.676)(388.1831, 4056.114)(389.18744, 945.78204)(425.13724, 69155.98)(426.14084, 17279.947)(427.13602, 8681.192)(428.13632, 1995.5801)(429.1355, 402.21)(409.16104, 421285.5)(410.16455, 97757.98)(411.16824, 18727.004)(412.1719, 2385.7634)(413.1749, 733.48)" Eudesmin + 11.306666 FindByFormula + C10561 386.1733 11.306666 Eudesmin + 11.310534 "Eudesmin [ C22 H26 O6, db=99.58, tgt=, overall=99.58, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.16193, 315654.3)(410.16525, 76468.62)(411.16928, 14384.497)(412.1714, 2827.905)(413.1673, 605.14)" Eudesmin + 11.310534 FindByFormula + C10561 408.16 11.310534 Eudesmin + 11.310909 "Eudesmin [ C22 H26 O6, db=98.67, tgt=, overall=98.67, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.1615, 393218.03)(410.16492, 92694.68)(411.16895, 17412.06)(412.17258, 2452.0886)(413.17822, 676.6633)" Eudesmin + 11.310909 FindByFormula + C10561 408.1534 11.310909 Eudesmin + 11.780999 "Eudesmin [ C22 H26 O6, db=95.52, tgt=, overall=95.52, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.1609, 1552099.5)(410.16483, 347317.9)(411.16837, 57433.89)(412.171, 8421.546)(413.1719, 817.68994)" Eudesmin + 11.780999 FindByFormula + C10561 408.1541 11.780999 Eudesmin + 11.801776 "Eudesmin [ C22 H26 O6, db=93.94, tgt=, overall=93.94, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(205.07922, 751.0825)(205.576, 208.975)(206.07947, 174.8125)(409.1607, 1516627.9)(410.16486, 333873.6)(411.1679, 56199.902)(412.17093, 7567.435)(413.17325, 876.52496)" Eudesmin + 11.801776 FindByFormula + C10561 408.1553 11.801776 Eudesmin + 11.804571 "Eudesmin [ C22 H26 O6, db=98.93, tgt=, overall=98.93, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.3095, 521.506)(812.3113, 292.295)(795.3331, 3707.986)(796.3347, 1928.2206)(797.333, 991.7529)(798.3347, 230.00334)(387.18066, 113262.02)(388.18384, 28274.738)(389.1871, 5054.8164)(390.1832, 227.59)(425.1381, 283312.75)(426.14136, 70014.17)(427.13892, 32933.83)(428.1402, 8149.751)(429.1415, 627.8567)(409.1619, 1078016.5)(410.16583, 242400.86)(411.16888, 40573.77)(412.1723, 6243.002)(413.17407, 567.88666)" Eudesmin + 11.804571 FindByFormula + C10561 386.1739 11.804571 Eudesmin + 11.807262 "Eudesmin [ C22 H26 O6, db=93.94, tgt=, overall=93.94, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.3085, 531.08)(812.3132, 326.45)(795.3322, 3263.86)(796.3343, 1684.26)(797.3344, 887.55)(798.3165, 197.98)(387.1789, 101315.23)(388.1821, 25644.705)(389.1859, 4340.1655)(390.18585, 535.655)(425.13644, 269782.84)(426.13943, 68816.76)(427.1372, 31816.312)(428.13913, 6526.679)(429.1395, 1565.81)(409.1607, 1768155.5)(410.16507, 391202.88)(411.16794, 64984.586)(412.17157, 6529.048)(413.1712, 1114.03)" Eudesmin + 11.807262 FindByFormula + C10561 386.1688 11.807262 Eudesmin + 11.810191 "Eudesmin [ C22 H26 O6, db=97.58, tgt=, overall=97.58, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(205.0784, 604.75)(205.5731, 175.23)(206.072, 263.52)(409.1615, 1358076.2)(410.16574, 299489.97)(411.16867, 50514.22)(412.1714, 6008.784)(413.1729, 912.84)" Eudesmin + 11.810191 FindByFormula + C10561 408.1543 11.810191 Eudesmin + 11.813052 "Eudesmin [ C22 H26 O6, db=96.87, tgt=, overall=96.87, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.30884, 482.36)(812.30804, 232.14)(795.3336, 3490.4988)(796.3366, 1841.7155)(797.33636, 707.36426)(798.33093, 111.975)(387.18018, 95952.84)(388.18335, 24153.861)(389.18683, 4321.541)(390.18784, 668.47504)(425.13745, 254485.6)(426.1405, 65348.066)(427.13803, 30771.264)(428.13992, 6600.546)(429.1414, 1237.51)(409.16122, 1683181.6)(410.16544, 374740.38)(411.1684, 62200.203)(412.17154, 8241.063)(413.1748, 1143.9525)" Eudesmin + 11.813052 FindByFormula + C10561 386.1715 11.813052 Eudesmin + 11.81472 "Eudesmin [ C22 H26 O6, db=93.34, tgt=, overall=93.34, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.16058, 1532947.4)(410.1649, 342523.38)(411.1678, 56742.336)(412.17, 8181.697)(413.174, 1065.75)" Eudesmin + 11.81472 FindByFormula + C10561 408.1508 11.81472 Eudesmin + 11.815599 "Eudesmin [ C22 H26 O6, db=96.48, tgt=, overall=96.48, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.30664, 386.668)(812.31134, 197.948)(795.3321, 3391.5237)(796.3346, 1735.35)(797.3368, 661.04504)(798.328, 193.22751)(387.17996, 102050.266)(388.18314, 25822.227)(389.1868, 4392.705)(390.18735, 851.47003)(425.13678, 263578.84)(426.13977, 67280.984)(427.13727, 31577.264)(428.13943, 6662.5835)(429.14142, 1345.2161)(409.16113, 1732239.4)(410.16534, 385709.2)(411.1683, 63783.145)(412.1708, 8909.849)(413.17276, 1113.3134)" Eudesmin + 11.815599 FindByFormula + C10561 386.1702 11.815599 Eudesmin + 11.816501 "Eudesmin [ C22 H26 O6, db=97.18, tgt=, overall=97.18, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(795.3317, 1206.05)(796.3333, 684.4)(387.18048, 127359.875)(388.18365, 32098.664)(389.18753, 5405.5303)(425.1366, 222984.62)(426.1397, 59374.44)(427.1375, 26752.93)(428.1394, 6195.61)(409.1613, 2175327.0)(410.16562, 487918.6)(411.16855, 79913.27)" Eudesmin + 11.816501 FindByFormula + C10561 386.1726 11.816501 Eudesmin + 11.819455 "Eudesmin [ C22 H26 O6, db=97.68, tgt=, overall=97.68, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.30524, 625.13)(812.3048, 264.016)(795.3331, 4240.798)(796.3345, 2344.8357)(797.3361, 923.146)(798.3327, 385.854)(387.1803, 144674.56)(388.1835, 36755.12)(389.18683, 6156.78)(390.1882, 1295.505)(425.137, 332719.06)(426.14014, 82106.09)(427.13776, 38439.79)(428.13956, 8071.326)(429.1427, 683.34)(409.16144, 1730007.1)(410.16568, 386942.7)(411.16867, 63582.145)(412.17108, 7801.655)(413.17352, 1099.2301)" Eudesmin + 11.819455 FindByFormula + C10561 386.1737 11.819455 Eudesmin + 11.821857 "Eudesmin [ C22 H26 O6, db=96.55, tgt=, overall=96.55, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.2974, 311.37)(812.3223, 95.56)(795.33234, 3467.8386)(796.3354, 1869.5507)(797.3312, 730.3087)(798.33856, 470.085)(387.18018, 107919.914)(388.18344, 27706.41)(389.1869, 4733.8584)(390.1885, 531.77997)(425.13724, 287636.03)(426.14032, 72057.13)(427.13785, 33829.773)(428.1398, 7137.729)(429.14224, 1024.3467)(409.16125, 1555059.9)(410.1656, 341217.12)(411.1685, 57334.77)(412.17142, 8422.74)(413.1741, 902.50665)" Eudesmin + 11.821857 FindByFormula + C10561 386.1723 11.821857 Eudesmin + 11.823501 "Eudesmin [ C22 H26 O6, db=98.85, tgt=, overall=98.85, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(855.2739, 72.04)(409.16174, 1193023.0)(410.1655, 267903.75)(411.1688, 44153.176)(412.173, 4895.93)(413.1726, 942.32996)" Eudesmin + 11.823501 FindByFormula + C10561 408.1547 11.823501 Eudesmin + 11.833333 "Eudesmin [ C22 H26 O6, db=97.56, tgt=, overall=97.56, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(795.3326, 1170.52)(796.3316, 634.83)(387.18066, 111364.81)(388.18387, 27607.365)(389.1873, 4581.16)(425.1376, 238304.42)(426.14062, 63560.176)(427.13803, 29844.385)(428.1396, 5718.47)(409.16162, 1747059.5)(410.16605, 384425.72)(411.16882, 64389.3)(412.1722, 5840.05)" Eudesmin + 11.833333 FindByFormula + C10561 386.174 11.833333 Eudesmin + 11.840106 "Eudesmin [ C22 H26 O6, db=95.09, tgt=, overall=95.09, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.2954, 223.78)(812.3048, 149.23)(795.333, 3473.3113)(796.33655, 1855.73)(797.33984, 784.66125)(798.3323, 179.07)(387.18005, 113374.9)(388.18314, 28808.164)(389.18683, 4816.5)(390.1857, 835.28)(425.1369, 261425.19)(426.1399, 67523.85)(427.13748, 31270.098)(428.1397, 6573.0703)(429.1414, 1237.51)(409.16095, 1928294.8)(410.1654, 422610.3)(411.1682, 70482.42)(412.1711, 9458.202)(413.1744, 1214.3259)" Eudesmin + 11.840106 FindByFormula + C10561 386.1709 11.840106 Eudesmin + 12.394441 "Eudesmin [ C22 H26 O6, db=91.36, tgt=, overall=91.36, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.1604, 434679.8)(410.1638, 97366.31)(411.1663, 17537.506)(412.1684, 2448.8613)(413.16855, 409.295)" Eudesmin + 12.394441 FindByFormula + C10561 408.1529 12.394441 Eudesmin + 12.399138 "Eudesmin [ C22 H26 O6, db=99.23, tgt=, overall=99.23, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(811.2964, 284.59)(795.33344, 1119.9884)(796.3391, 632.72546)(797.3335, 433.30002)(798.3466, 43.04)(387.1794, 19312.822)(388.1824, 4931.052)(389.18546, 920.7742)(390.1869, 275.60748)(425.1356, 55144.31)(426.13882, 13819.997)(427.1371, 6086.139)(428.13873, 1579.8948)(429.13477, 334.04)(409.16174, 355421.78)(410.16516, 82427.43)(411.1676, 14532.328)(412.17035, 2030.6654)(413.1694, 316.94333)" Eudesmin + 12.399138 FindByFormula + C10561 386.172 12.399138 Eudesmin + 12.40475 "Eudesmin [ C22 H26 O6, db=96.76, tgt=, overall=96.76, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(795.3342, 917.055)(796.34064, 472.66)(387.17853, 19616.213)(388.18182, 5143.686)(389.1848, 1010.9087)(425.13504, 52830.996)(426.13812, 13483.083)(427.13644, 5651.0576)(428.1378, 1294.5566)(409.16113, 407829.25)(410.16458, 93141.07)(411.16702, 16404.354)(412.16992, 2182.725)" Eudesmin + 12.40475 FindByFormula + C10561 386.1694 12.40475 Eudesmin + 12.405582 "Eudesmin [ C22 H26 O6, db=97.64, tgt=, overall=97.64, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.16138, 466272.66)(410.16495, 104216.12)(411.16736, 18596.02)(412.16983, 2612.8909)(413.1727, 469.70328)" Eudesmin + 12.405582 FindByFormula + C10561 408.1545 12.405582 Eudesmin + 12.40657 "Eudesmin [ C22 H26 O6, db=97.56, tgt=, overall=97.56, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(795.3342, 1192.521)(796.33887, 612.86255)(797.32764, 284.025)(798.34644, 83.35)(387.18015, 21905.168)(388.18338, 5704.1055)(389.18622, 1029.2122)(390.18707, 296.385)(425.1359, 61356.105)(426.13913, 15673.179)(427.13736, 6746.354)(428.13916, 1487.1837)(429.1373, 453.97)(409.16135, 411816.84)(410.16473, 93034.17)(411.1672, 16498.799)(412.17032, 2390.0742)(413.1678, 402.36002)" Eudesmin + 12.40657 FindByFormula + C10561 386.174 12.40657 Eudesmin + 12.4137 "Eudesmin [ C22 H26 O6, db=98.52, tgt=, overall=98.52, CAS ID=29106-36-3, Lipid ID=, KEGG ID=C10561, HMP ID=, METLIN ID=68384, AGILENTID=29277 ]" 29106-36-3 "(409.16162, 480557.25)(410.1652, 107760.42)(411.16763, 19432.55)(412.16992, 2256.4827)(413.1713, 371.11)" Eudesmin + 12.4137 FindByFormula + C10561 408.1548 12.4137 Euphorbia factor Ti2 "Euphorbia factor Ti2 [ C32 H42 O7, db=59.86, tgt=, overall=59.86, CAS ID=64180-96-7, KEGG ID=C09091, METLIN ID=67420 ]" 64180-96-7 "(537.2857, 2424.785)(538.29004, 730.225)(539.3002, 630.725)" Euphorbia factor Ti2 FindByFormula - C09091 538.2913 11.1970005 Euphorbia factor Ti2 - 10.386 "Euphorbia factor Ti2 [ C32 H42 O7, db=60.37, tgt=, overall=60.37, CAS ID=64180-96-7, KEGG ID=C09091, METLIN ID=67420 ]" 64180-96-7 "(537.28503, 2173.305)(538.2882, 913.565)(539.2987, 1185.75)" Euphorbia factor Ti2 - 10.386 FindByFormula - C09091 538.2916 10.386 Evasterioside D "Evasterioside D [ C33 H58 O10, db=97.07, tgt=, overall=97.07, Lipid ID=LMST05050009, METLIN ID=84929 ]" "(637.3925, 2312.5173)(638.394, 864.9918)(639.39844, 192.63454)" Evasterioside D FindByFormula + LMST05050009 636.3832 16.269182 Evocarpine "Evocarpine [ C23 H33 N O, db=68.47, tgt=, overall=68.47, KEGG ID=C16956, METLIN ID=71459 ]" "(362.24445, 5164.7)(363.24545, 1572.5599)(384.23053, 1978.25)" Evocarpine FindByFormula + C16956 361.2379 8.5755005 Exiguaflavanone B "Exiguaflavanone B [ C26 H30 O6, db=79.60, tgt=, overall=79.60, Lipid ID=LMPK12140112, METLIN ID=52602 ]" "(437.19644, 3173.395)(438.19904, 865.91394)" Exiguaflavanone B FindByFormula - LMPK12140112 438.203 10.1479 Falcarinone "Falcarinone [ C17 H22 O, db=98.05, tgt=, overall=98.05, CAS ID=4117-11-7, KEGG ID=C08451, METLIN ID=66985 ]" 11/7/4117 "(265.15576, 9967.899)(266.15976, 1707.2968)(267.1649, 159.55)(287.14005, 1215.705)(288.135, 134.08)" Falcarinone FindByFormula + C08451 264.1482 6.6043334 Fasciculic acid B "Fasciculic acid B [ C36 H60 O9, db=71.18, tgt=, overall=71.18, CAS ID=126882-55-1, HMP ID=HMDB36438, METLIN ID=91573 ]" 126882-55-1 "(635.41675, 3248.827)(636.4187, 1268.6766)" Fasciculic acid B FindByFormula HMDB36438 - 636.4284 8.567 Fasciculic acid C "Fasciculic acid C [ C38 H63 N O11, db=66.05, tgt=, overall=66.05, CAS ID=126882-56-2, HMP ID=HMDB36440, METLIN ID=91575 ]" 126882-56-2 "(708.4336, 2441.9102)(709.438, 1101.59)" Fasciculic acid C FindByFormula HMDB36440 - 709.4402 8.6970005 Fasoracetam "Fasoracetam [ C10 H16 N2 O2, db=82.92, tgt=, overall=82.92, CAS ID=110958-19-5, KEGG ID=C13311, METLIN ID=69559 ]" 110958-19-5 "(197.12825, 4292.8047)(198.12965, 500.08002)" Fasoracetam FindByFormula + C13311 196.1212 1.0335 Febrifugine "Febrifugine [ C16 H19 N3 O3, db=83.77, tgt=, overall=83.77, CAS ID=24159-07-7, KEGG ID=C10677, METLIN ID=68486 ]" 24159-07-7 "(302.14948, 12758.363)(303.1517, 2130.1875)" Febrifugine FindByFormula + C10677 301.1411 7.7432504 Fesoterodine "Fesoterodine [ C26 H37 N O3, db=78.83, tgt=, overall=78.83, CAS ID=286930-03-8, HMP ID=HMDB15648, METLIN ID=85568 ]" 286930-03-8 "(412.28555, 4268.724)(413.28873, 1293.2714)(414.2954, 571.69)" Fesoterodine FindByFormula HMDB15648 + 411.2761 10.283286 Fexofenadine "Fexofenadine [ C32 H39 N O4, mfg=40.97, db=40.77, tgt=, overall=40.87, CAS ID=83799-24-0, KEGG ID=C06999, HMP ID=HMDB05030, METLIN ID=2766 ]" 83799-24-0 "(502.2931, 1753.1951)(503.2872, 609.5775)(524.27686, 1059.9434)(525.28156, 344.6)" Fexofenadine FindByFormula HMDB05030 + C06999 501.2857 13.8735 Finaconitine "Finaconitine [ C33 H46 N2 O10, db=89.75, tgt=, overall=89.75, CAS ID=81161-27-5, KEGG ID=C08684, METLIN ID=67118 ]" 81161-27-5 "(631.323, 21303.248)(632.32336, 8138.5225)(633.3352, 1894.605)(634.3407, 600.24664)" Finaconitine FindByFormula + C08684 630.3162 20.46175 Finaconitine + 20.476002 "Finaconitine [ C33 H46 N2 O10, db=86.23, tgt=, overall=86.23, CAS ID=81161-27-5, KEGG ID=C08684, METLIN ID=67118 ]" 81161-27-5 "(631.32166, 17450.043)(632.3246, 6652.0244)(633.3243, 222.26)" Finaconitine + 20.476002 FindByFormula + C08684 630.3173 20.476002 Finasteride "Finasteride [ C23 H36 N2 O2, db=77.33, tgt=, overall=77.33, CAS ID=98319-26-7, KEGG ID=D00321, HMP ID=HMDB01984, METLIN ID=2698 ]" 98319-26-7 "(371.26898, 2469.64)(372.2716, 591.28503)" Finasteride FindByFormula HMDB01984 - D00321 372.2756 6.967 Finasteride - 6.8406663 "Finasteride [ C23 H36 N2 O2, db=76.64, tgt=, overall=76.64, CAS ID=98319-26-7, KEGG ID=D00321, HMP ID=HMDB01984, METLIN ID=2698 ]" 98319-26-7 "(371.26932, 2000.0765)(372.27115, 461.0367)" Finasteride - 6.8406663 FindByFormula HMDB01984 - D00321 372.2762 6.8406663 Flavidulol C "Flavidulol C [ C34 H42 O4, db=42.66, tgt=, overall=42.66, CAS ID=117568-34-0, HMP ID=HMDB39150, METLIN ID=93747 ]" 117568-34-0 "(515.31714, 12441.426)(516.31604, 6022.8647)(517.3063, 4019.9248)(553.2654, 351.06)" Flavidulol C FindByFormula HMDB39150 + 514.3099 1.121 Flazine methyl ether "Flazine methyl ether [ C18 H14 N2 O4, db=76.44, tgt=, overall=76.44, CAS ID=159898-11-0, HMP ID=HMDB33457, METLIN ID=89288 ]" 159898-11-0 "(323.10196, 2781.715)(324.10382, 686.485)" Flazine methyl ether FindByFormula HMDB33457 + 322.0932 7.351 Flocoumafen "Flocoumafen [ C33 H25 F3 O4, db=74.17, tgt=, overall=74.17, CAS ID=90035-08-8, KEGG ID=C18696, METLIN ID=72474 ]" 90035-08-8 "(543.178, 1788.8275)(544.1822, 686.04626)(545.17725, 337.425)" Flocoumafen FindByFormula + C18696 542.1682 17.0065 Flocoumafen + 17.0215 "Flocoumafen [ C33 H25 F3 O4, db=62.26, tgt=, overall=62.26, CAS ID=90035-08-8, KEGG ID=C18696, METLIN ID=72474 ]" 90035-08-8 "(543.1769, 1981.3201)(544.18164, 689.615)(545.1743, 416.565)" Flocoumafen + 17.0215 FindByFormula + C18696 542.168 17.0215 Flucythrinate "Flucythrinate [ C26 H23 F2 N O4, db=23.33, tgt=, overall=23.33, CAS ID=70124-77-5, KEGG ID=C14524, METLIN ID=70125 ]" 70124-77-5 "(474.14774, 1884.3766)(475.14786, 532.16327)(476.1426, 1032.0667)" Flucythrinate FindByFormula + C14524 473.1379 16.070665 Flumetsulam "Flumetsulam [ C12 H9 F2 N5 O2 S, db=63.34, tgt=, overall=63.34, CAS ID=98967-40-9, KEGG ID=C18852, METLIN ID=72614 ]" 98967-40-9 "(326.05145, 1177.13)(327.05475, 323.58)(348.0339, 263.72)" Flumetsulam FindByFormula + C18852 325.0444 2.457 Fluprostenol-d4 "Fluprostenol-d4 [ C23 H25 D4 F3 O6, db=85.47, tgt=, overall=85.47, METLIN ID=96574 ]" "(461.21097, 3865.0369)(462.21463, 918.4533)(463.2089, 298.21)" Fluprostenol-d4 FindByFormula - 462.2157 7.862 FMC-5(d18:1/22:0) "FMC-5(d18:1/22:0) [ C56 H99 N O13, db=42.01, tgt=, overall=42.01, Lipid ID=LMSP05010034, METLIN ID=83799 ]" "(1016.7038, 2767.795)(1017.7137, 959.76)(1018.7201, 431.3)" FMC-5(d18:1/22:0) FindByFormula + LMSP05010034 1015.7025 23.988 FMNH "FMNH [ C17 H23 N4 O9 P, db=42.88, tgt=, overall=42.88, CAS ID=5666-16-0, KEGG ID=C01847, HMP ID=HMDB01142, METLIN ID=6034 ]" 5666-16-0 "(457.112, 9172.397)(458.11914, 2402.4375)(459.10995, 3392.4224)(460.11255, 1501.155)" FMNH FindByFormula HMDB01142 - C01847 458.1187 11.315001 Formimidoyl-fortimicin A "Formimidoyl-fortimicin A [ C18 H36 N6 O6, db=60.07, tgt=, overall=60.07, CAS ID=73196-97-1, KEGG ID=C17979, METLIN ID=71975 ]" 73196-97-1 "(887.52527, 771.78503)(888.5305, 417.245)(889.5329, 474.68)(433.27783, 5314.3965)(434.28183, 1900.7933)(435.27158, 1444.0599)" Formimidoyl-fortimicin A FindByFormula + C17979 432.2698 13.731999 Formimidoyl-fortimicin A + 13.6395 "Formimidoyl-fortimicin A [ C18 H36 N6 O6, db=53.87, tgt=, overall=53.87, CAS ID=73196-97-1, KEGG ID=C17979, METLIN ID=71975 ]" 73196-97-1 "(433.2773, 5324.3174)(434.28232, 1973.6624)(435.27005, 1643.6475)(455.257, 240.16)" Formimidoyl-fortimicin A + 13.6395 FindByFormula + C17979 432.271 13.6395 Formylmethionyl-leucyl-phenylalanine methyl ester "Formylmethionyl-leucyl-phenylalanine methyl ester [ C22 H33 N3 O5 S, db=98.30, tgt=, overall=98.30, CAS ID=65929-03-5, KEGG ID=C11221, METLIN ID=68923 ]" 65929-03-5 "(452.22165, 2528.5544)(453.222, 709.0346)(454.21933, 368.91364)(490.17664, 903.3822)(474.203, 8061.6416)(475.20642, 2130.0017)(476.20236, 712.56)" Formylmethionyl-leucyl-phenylalanine methyl ester FindByFormula + C11221 451.2139 9.996813 Formylmethionyl-leucyl-phenylalanine methyl ester - 10.0109 "Formylmethionyl-leucyl-phenylalanine methyl ester [ C22 H33 N3 O5 S, db=96.59, tgt=, overall=96.59, CAS ID=65929-03-5, KEGG ID=C11221, METLIN ID=68923 ]" 65929-03-5 "(450.2077, 4889.4053)(451.21127, 1284.3771)(452.2085, 443.83002)" Formylmethionyl-leucyl-phenylalanine methyl ester - 10.0109 FindByFormula - C11221 451.2202 10.0109 Formylmethionyl-leucyl-phenylalanine methyl ester + 9.996401 "Formylmethionyl-leucyl-phenylalanine methyl ester [ C22 H33 N3 O5 S, mfg=94.69, db=96.22, tgt=, overall=48.11, CAS ID=65929-03-5, KEGG ID=C11221, METLIN ID=68923 ]" 65929-03-5 "(969.3751, 508.725)(474.20343, 9842.511)(475.20776, 2619.8247)(476.20227, 960.2511)(496.18475, 3275.8748)(497.187, 679.3813)(498.18726, 299.85)" Formylmethionyl-leucyl-phenylalanine methyl ester + 9.996401 FindByFormula + C11221 473.1944 9.996401 Forskolin "Forskolin [ C22 H34 O7, db=67.42, tgt=, overall=67.42, CAS ID=66575-29-9, Lipid ID=LMPR0104030004, KEGG ID=C09076, METLIN ID=53589 ]" 66575-29-9 "(433.21948, 3658.4302)(434.22485, 1239.62)" Forskolin FindByFormula + C09076 LMPR0104030004 432.2152 9.3255005 Forskolin - 10.014334 "Forskolin [ C22 H34 O7, db=65.41, tgt=, overall=65.41, CAS ID=66575-29-9, Lipid ID=LMPR0104030004, KEGG ID=C09076, METLIN ID=53589 ]" 66575-29-9 "(409.2212, 829.3934)(410.22302, 230.35664)" Forskolin - 10.014334 FindByFormula - C09076 LMPR0104030004 410.2293 10.014334 Forskolin + 9.021 "Forskolin [ C22 H34 O7, db=69.20, tgt=, overall=69.20, CAS ID=66575-29-9, Lipid ID=LMPR0104030004, KEGG ID=C09076, METLIN ID=53589 ]" 66575-29-9 "(411.23572, 1401.815)(412.24075, 517.535)(413.2519, 127.93)(433.2267, 77.01)" Forskolin + 9.021 FindByFormula + C09076 LMPR0104030004 410.2293 9.021 Fosinopril "Fosinopril [ C30 H46 N O7 P, db=80.44, tgt=, overall=80.44, CAS ID=98048-97-6, KEGG ID=C07016, HMP ID=HMDB14635, METLIN ID=2971 ]" 98048-97-6 "(564.3057, 15243.133)(565.31635, 5404.813)(566.30786, 1634.3234)(586.28674, 2106.21)(587.2892, 397.84998)(588.2862, 951.71)" Fosinopril FindByFormula HMDB14635 + C07016 563.2986 8.3 Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) "Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) [ C78 H142 N2 O31, db=82.16, tgt=, overall=82.16, Lipid ID=LMSP0504AI04, METLIN ID=54596 ]" "(813.46686, 929.3366)(813.9738, 736.14667)(814.4645, 706.98505)(1625.9419, 80448.15)(1626.9453, 66495.15)(1627.9478, 33274.09)(1628.9487, 12862.042)(1629.9497, 3680.6553)(1630.9531, 1789.6279)(824.4659, 22860.68)(824.96967, 18529.479)(825.47, 9603.411)" Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) FindByFormula + LMSP0504AI04 1624.9333 9.102556 Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) + 9.113858 "Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) [ C78 H142 N2 O31, db=90.32, tgt=, overall=90.32, Lipid ID=LMSP0504AI04, METLIN ID=54596 ]" "(824.46826, 24717.457)(824.9694, 19915.002)(825.4693, 10156.891)(825.9694, 4005.6614)(826.472, 1534.1317)(826.963, 1202.93)" Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) + 9.113858 FindByFormula + LMSP0504AI04 1646.926 9.113858 Fucalpha1-2Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0) "Fucalpha1-2Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0) [ C92 H162 N4 O43, db=46.42, tgt=, overall=46.42, Lipid ID=LMSP0601BI03, METLIN ID=56355 ]" "(1028.5198, 670.93)(1029.0352, 109.05)" Fucalpha1-2Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/20:0) FindByFormula + LMSP0601BI03 2055.0295 7.906 Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) "Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) [ C66 H120 N2 O27, db=81.47, tgt=, overall=81.47, Lipid ID=LMSP0504AD01, METLIN ID=54548 ]" "(1395.7959, 2162.225)(1396.7996, 1637.72)(1397.8053, 512.78503)" Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) FindByFormula + LMSP0504AD01 1394.7874 26.9455 Fucalpha1-2Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp "Fucalpha1-2Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp [ C28 H48 N4 O19, db=41.35, tgt=, overall=41.35, CAS ID=, METLIN ID=3645 ]" "(745.2978, 1958.4298)(746.292, 872.6027)" Fucalpha1-2Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp FindByFormula + 744.2868 17.258091 Fucalpha1-2GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) "Fucalpha1-2GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) [ C92 H162 N4 O38, db=72.75, tgt=, overall=72.75, Lipid ID=LMSP0601CG08, METLIN ID=56567 ]" "(966.80615, 3141.7014)(967.25165, 4091.648)(967.5554, 3384.5066)(988.53436, 6898.8184)(989.03485, 7239.2983)(989.53735, 4190.775)" Fucalpha1-2GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) FindByFormula + LMSP0601CG08 1931.0933 6.528333 Fucalpha1-2GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) + 6.537 "Fucalpha1-2GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) [ C92 H162 N4 O38, db=90.59, tgt=, overall=90.59, Lipid ID=LMSP0601CG08, METLIN ID=56567 ]" "(988.5345, 10393.44)(989.03546, 10724.534)(989.53564, 5828.063)(990.03864, 2644.0667)" Fucalpha1-2GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) + 6.537 FindByFormula + LMSP0601CG08 1975.0566 6.537 Fucalpha1-3GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) "Fucalpha1-3GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) [ C76 H137 N3 O32, db=60.43, tgt=, overall=60.43, Lipid ID=LMSP0503AG02, METLIN ID=54432 ]" "(1604.9315, 2858.3665)(1605.9268, 3165.3)(1606.9443, 980.57666)" Fucalpha1-3GlcNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) FindByFormula + LMSP0503AG02 1603.9222 9.824 Fukiic acid "Fukiic acid [ C11 H12 O8, db=98.82, tgt=, overall=98.82, CAS ID=35388-56-8, HMP ID=HMDB29496, METLIN ID=86306 ]" 35388-56-8 "(273.06012, 19498.527)(274.0633, 2651.482)(275.0656, 452.664)(295.04175, 445.52112)" Fukiic acid FindByFormula HMDB29496 + 272.0528 2.337222 Fulvine "Fulvine [ C16 H23 N O5, db=93.80, tgt=, overall=93.80, CAS ID=6029-87-4, KEGG ID=C10304, METLIN ID=68233 ]" 6029-87-4 "(332.14645, 56951.93)(333.14923, 11497.6455)(334.1489, 3126.89)(354.1246, 48940.17)(355.1274, 10217.51)(356.1333, 1479.65)" Fulvine FindByFormula + C10304 331.1356 7.623 Fumitremorgin B "Fumitremorgin B [ C27 H33 N3 O5, db=64.21, tgt=, overall=64.21, CAS ID=12626-17-4, HMP ID=HMDB30203, METLIN ID=86794 ]" 12626-17-4 "(478.2329, 2224.6833)(479.2333, 625.76666)" Fumitremorgin B FindByFormula HMDB30203 - 479.2407 7.2526665 Fumonisin A2 "Fumonisin A2 [ C36 H61 N O15, db=67.20, tgt=, overall=67.20, CAS ID=117415-47-1, HMP ID=HMDB34699, METLIN ID=90147 ]" 117415-47-1 "(770.395, 3584.0)(771.4, 1934.49)(772.4099, 541.9)(792.3796, 2221.73)(793.38574, 993.74)(794.3748, 493.505)" Fumonisin A2 FindByFormula HMDB34699 + 769.3918 9.839 Fumonisin B1 "Fumonisin B1 [ C34 H59 N O15, db=58.83, tgt=, overall=58.83, CAS ID=116355-83-0, Lipid ID=LMSP01080022, KEGG ID=C19241, HMP ID=HMDB34702, METLIN ID=53922 ]" 116355-83-0 "(722.39667, 1544.0701)(723.39795, 886.6)(744.3765, 1214.36)(745.36945, 428.325)(746.3726, 199.89499)" Fumonisin B1 FindByFormula HMDB34702 + C19241 LMSP01080022 721.386 2.5619998 Furazolidone "Furazolidone [ C8 H7 N3 O5, mfg=78.85, db=82.27, tgt=, overall=41.14, CAS ID=67-45-8, KEGG ID=C07999, HMP ID=HMDB14752, METLIN ID=4051 ]" 67-45-8 "(204.0654, 1415.0527)(242.02031, 1562.3317)(226.0464, 8224.863)(227.04839, 1074.3546)" Furazolidone FindByFormula HMDB14752 + C07999 203.0576 1.1741818 Furazolidone + 1.1742499 "Furazolidone [ C8 H7 N3 O5, db=87.14, tgt=, overall=87.14, CAS ID=67-45-8, KEGG ID=C07999, HMP ID=HMDB14752, METLIN ID=4051 ]" 67-45-8 "(226.04494, 11800.799)(227.04582, 1289.4463)(228.04417, 315.6775)" Furazolidone + 1.1742499 FindByFormula HMDB14752 + C07999 225.0369 1.1742499 Fusicoccin A "Fusicoccin A [ C36 H58 O12, db=83.08, tgt=, overall=83.08, Lipid ID=LMPR0104350004, METLIN ID=53693 ]" "(705.3816, 2158.2764)(706.3856, 937.07086)(707.3839, 436.5627)" Fusicoccin A FindByFormula + LMPR0104350004 704.3716 12.836182 Fusicoccin H "Fusicoccin H [ C26 H42 O8, db=70.91, tgt=, overall=70.91, CAS ID=50906-51-9, KEGG ID=C09093, METLIN ID=67422 ]" 50906-51-9 "(481.27856, 1613.26)(482.28223, 480.248)" Fusicoccin H FindByFormula - C09093 482.2846 11.9112 Gabapentin "Gabapentin [ C9 H17 N O2, db=77.87, tgt=, overall=77.87, CAS ID=60142-96-3, KEGG ID=D00332, HMP ID=HMDB05015, METLIN ID=2989 ]" 60142-96-3 "(172.13376, 3846.944)(173.13602, 594.094)" Gabapentin FindByFormula HMDB05015 + D00332 171.1256 1.0249999 Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) "Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) [ C80 H146 N2 O32, db=88.83, tgt=, overall=88.83, Lipid ID=LMSP0503AK05, METLIN ID=54471 ]" "(835.4824, 890.98)(835.981, 441.1475)(836.4849, 365.31747)(1669.9695, 66137.37)(1670.9729, 56161.79)(1671.9758, 28563.08)(1672.9773, 11159.246)(1673.9836, 3299.2976)(1674.988, 1364.982)" Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) FindByFormula + LMSP0503AK05 1668.9572 9.126625 Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) + 9.1308 "Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) [ C80 H146 N2 O32, db=87.26, tgt=, overall=87.26, Lipid ID=LMSP0503AK05, METLIN ID=54471 ]" "(846.48016, 26567.223)(846.9826, 22250.615)(847.48175, 11944.102)(847.9831, 4681.0938)(848.47894, 1812.0701)(848.96936, 1124.375)" Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) + 9.1308 FindByFormula + LMSP0503AK05 1690.9423 9.1308 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) "Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) [ C76 H139 N O33, db=23.70, tgt=, overall=23.70, Lipid ID=LMSP0502AN04, METLIN ID=54137 ]" "(1594.9246, 14418.395)(1595.4243, 21777.47)(1595.9275, 19309.73)(1596.4287, 11930.785)(1596.93, 6141.77)(1597.4269, 3299.74)(1597.9244, 1507.87)" Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) FindByFormula + LMSP0502AN04 3187.8337 9.5529995 Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) "Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) [ C80 H147 N O33, db=71.14, tgt=, overall=71.14, Lipid ID=LMSP0502AN06, METLIN ID=54139 ]" "(1672.9781, 10343.171)(1673.9819, 9478.483)(1674.9786, 2783.76)(1675.95, 925.26)" Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) FindByFormula + LMSP0502AN06 1671.9698 9.836667 Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) "Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) [ C64 H117 N O28, db=47.03, tgt=, overall=47.03, Lipid ID=LMSP0502AM01, METLIN ID=54125 ]" "(696.87494, 12464.94)(697.37665, 9403.391)(697.8716, 2282.68)(698.35785, 1182.525)(1392.7339, 9520.627)(1393.7305, 6084.703)" Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) FindByFormula + LMSP0502AM01 1391.7366 7.095 Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0) "Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0) [ C94 H164 N4 O49, db=64.82, tgt=, overall=64.82, Lipid ID=LMSP0601CL01, METLIN ID=56605 ]" "(1067.5288, 10999.09)(1068.0306, 7021.39)(1068.5304, 3481.1802)(1069.0171, 1031.97)" Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0) FindByFormula + LMSP0601CL01 2133.0483 8.217501 Galb1-4GlcNAcb1-3Galb1-4Glcb-Sp "Galb1-4GlcNAcb1-3Galb1-4Glcb-Sp [ C28 H48 N4 O21, db=8.27, tgt=, overall=8.27, CAS ID=338971-40-7, KEGG ID=, METLIN ID=3635 ]" 338971-40-7 "(799.2726, 7759.785)(799.7686, 2463.29)(800.2726, 824.23004)(1597.5446, 1510.165)(1598.5505, 444.235)" Galb1-4GlcNAcb1-3Galb1-4Glcb-Sp FindByFormula + 1596.5381 8.912999 Galbeta1-3[Fucalpha1-4]GlcNAcbeta-Sp "Galbeta1-3[Fucalpha1-4]GlcNAcbeta-Sp [ C22 H38 N4 O15, db=11.72, tgt=, overall=11.72, CAS ID=, METLIN ID=3622 ]" "(599.2421, 5200.5664)(599.74524, 3828.9802)(600.2457, 1504.221)(600.7537, 929.715)" Galbeta1-3[Fucalpha1-4]GlcNAcbeta-Sp FindByFormula + 1196.476 11.839333 Galbeta1-3[Fucalpha1-4]GlcNAcbeta-Sp + 11.8004 "Galbeta1-3[Fucalpha1-4]GlcNAcbeta-Sp [ C22 H38 N4 O15, db=11.72, tgt=, overall=11.72, CAS ID=, METLIN ID=3622 ]" "(599.2418, 5017.772)(599.74524, 3564.4302)(600.2454, 2008.9939)(600.7351, 168.77)" Galbeta1-3[Fucalpha1-4]GlcNAcbeta-Sp + 11.8004 FindByFormula + 1196.4731 11.8004 Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) "Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) [ C66 H120 N2 O28, db=73.40, tgt=, overall=73.40, Lipid ID=LMSP0502BK01, METLIN ID=54341 ]" "(1411.7905, 11558.04)(1412.793, 8886.755)(1413.8015, 6723.5996)(1414.8076, 3282.865)(1415.8093, 1481.22)(1416.809, 510.375)(1433.7705, 794.02)" Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) FindByFormula + LMSP0502BK01 1410.7864 26.951 Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) "Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) [ C70 H128 N2 O28, db=69.00, tgt=, overall=69.00, Lipid ID=LMSP0502BK03, METLIN ID=54343 ]" "(1467.8569, 25194.938)(1468.8579, 8851.487)(1469.8665, 1083.0449)" Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) FindByFormula + LMSP0502BK03 1466.8507 9.77425 Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) "Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) [ C74 H134 N2 O28, db=55.14, tgt=, overall=55.14, Lipid ID=LMSP0502BK07, METLIN ID=54347 ]" "(1521.898, 1644.0901)(1522.9021, 1357.615)" Galbeta1-3GalNAcbeta1-4Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) FindByFormula + LMSP0502BK07 1520.8898 27.217499 Galbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) "Galbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) [ C71 H130 N2 O26, db=76.22, tgt=, overall=76.22, Lipid ID=LMSP0601DC05, METLIN ID=56745 ]" "(736.4365, 7506.185)(736.9416, 5676.555)(737.43945, 3150.195)(737.9455, 760.49)(747.4229, 4804.01)(747.9322, 3159.78)(748.4188, 2229.99)(748.9341, 956.18)(766.4057, 2007.99)(766.9047, 546.6)" Galbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) FindByFormula + LMSP0601DC05 1470.8606 1.2279999 Galbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) + 1.269375 "Galbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) [ C71 H130 N2 O26, db=87.47, tgt=, overall=87.47, Lipid ID=LMSP0601DC05, METLIN ID=56745 ]" "(736.43567, 3722.9148)(736.9394, 2760.6614)(737.43677, 1558.7112)(737.9364, 249.39499)(758.41956, 1660.8574)(758.91895, 1122.65)(759.41113, 614.58496)(759.9365, 273.3)(1471.8711, 313.58)(1472.8547, 449.13)(756.4095, 396.92)(747.4258, 2307.0369)(747.93414, 1885.5299)(748.42334, 1124.0366)(748.9359, 482.02)(766.905, 766.59)(1493.8376, 540.73)(1494.8444, 507.76)" Galbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) + 1.269375 FindByFormula + LMSP0601DC05 1470.8615 1.269375 Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp "Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp [ C22 H38 N4 O15, db=10.58, tgt=, overall=10.58, CAS ID=, METLIN ID=3623 ]" "(599.24005, 5857.063)(599.7425, 3909.1067)(600.24457, 2363.89)" Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp FindByFormula + 1196.4733 11.809001 GalCer(d18:2/16:0) "GalCer(d18:2/16:0) [ C40 H75 N O8, db=50.32, tgt=, overall=50.32, Lipid ID=LMSP0501AC18, METLIN ID=83836 ]" "(698.5554, 2371.245)(699.55493, 1311.635)" GalCer(d18:2/16:0) FindByFormula + LMSP0501AC18 697.5481 22.425999 GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) "GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) [ C80 H145 N3 O32, db=22.36, tgt=, overall=22.36, Lipid ID=LMSP0504AF04, METLIN ID=54569 ]" "(1682.9757, 12227.095)(1683.4753, 20142.414)(1683.9758, 18502.557)(1684.4788, 12643.458)(1684.9822, 7027.088)(1685.4843, 3583.8252)(1685.9891, 1326.7633)(1686.4937, 1206.31)" GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) FindByFormula + LMSP0504AF04 3363.9084 9.6125 GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) "GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) [ C86 H154 N2 O38, db=91.17, tgt=, overall=91.17, Lipid ID=LMSP0502AR07, METLIN ID=54176 ]" "(912.5195, 14808.856)(913.02094, 13851.457)(913.5195, 7472.4175)(914.02374, 2856.1565)(914.5164, 1476.91)" GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) FindByFormula + LMSP0502AR07 1823.0238 9.207666 GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) "GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) [ C72 H130 N2 O33, db=54.08, tgt=, overall=54.08, Lipid ID=LMSP0502AQ01, METLIN ID=54161 ]" "(776.4211, 1241.75)(776.9213, 105.2)(777.4211, 626.43)(1551.8647, 4989.7803)(1552.8713, 3270.4302)" GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) FindByFormula + LMSP0502AQ01 1550.8539 9.141334 GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) "GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) [ C82 H150 N2 O33, db=96.56, tgt=, overall=96.56, Lipid ID=LMSP0502AQ06, METLIN ID=54166 ]" "(868.49475, 21939.646)(868.996, 19192.436)(869.4962, 10083.967)(869.99335, 3793.862)(870.4966, 1264.155)(871.022, 524.47)" GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) FindByFormula + LMSP0502AQ06 1734.9576 9.1542 GalNAcbeta1-4(Galalpha1-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) "GalNAcbeta1-4(Galalpha1-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) [ C84 H151 N3 O33, db=59.49, tgt=, overall=59.49, Lipid ID=LMSP0503AP08, METLIN ID=54519 ]" "(866.0148, 3260.44)(866.5133, 3143.8452)(867.0155, 1726.0751)(867.5116, 702.545)" GalNAcbeta1-4(Galalpha1-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) FindByFormula + LMSP0503AP08 1730.008 9.161501 Gambieric acid D "Gambieric acid D [ C66 H102 O19, db=38.74, tgt=, overall=38.74, KEGG ID=C16888, METLIN ID=71410 ]" "(1221.689, 730.85)(1222.685, 587.94)" Gambieric acid D FindByFormula + C16888 1220.68 17.894001 Gambiertoxin 4b "Gambiertoxin 4b [ C60 H84 O16, db=62.18, tgt=, overall=62.18, CAS ID=123676-76-6, KEGG ID=C16852, METLIN ID=71385 ]" 123676-76-6 "(531.2973, 2660.7502)(531.79083, 1402.44)(532.3004, 1457.99)" Gambiertoxin 4b FindByFormula + C16852 1060.5853 7.498667 Gambirtannine "Gambirtannine [ C21 H18 N2 O2, db=80.50, tgt=, overall=80.50, KEGG ID=C17533, METLIN ID=71764 ]" "(331.14447, 2697.1423)(332.14474, 262.03998)(353.1261, 3971.695)(354.1277, 789.2825)" Gambirtannine FindByFormula + C17533 330.1371 4.2855 gamma-Coniceine "gamma-Coniceine [ C8 H15 N, db=82.22, tgt=, overall=82.22, CAS ID=1604-01-9, KEGG ID=C10138, METLIN ID=68145 ]" 1604-01-9 "(126.12816, 8233.439)(127.12969, 830.71124)" gamma-Coniceine FindByFormula + C10138 125.1211 1.135875 gamma-Tocotrienol "gamma-Tocotrienol [ C28 H42 O2, db=73.43, tgt=, overall=73.43, CAS ID=14101-61-2, KEGG ID=C14155, METLIN ID=44832 ]" 14101-61-2 "(409.30954, 2583.967)(410.3124, 808.97424)" gamma-Tocotrienol FindByFormula - C14155 410.3185 24.702429 Ganglioside GA1 (d18:1/12:0) "Ganglioside GA1 (d18:1/12:0) [ C56 H102 N2 O23, db=40.38, tgt=, overall=40.38, KEGG ID=C06136, HMP ID=HMDB04900, METLIN ID=7156 ]" "(1171.6964, 766.31)(1172.6804, 360.015)" Ganglioside GA1 (d18:1/12:0) FindByFormula HMDB04900 + C06136 1170.6835 14.8315 Ganglioside GA1 (d18:1/16:0) "Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=69.30, tgt=, overall=69.30, CAS ID=201053-27-2, KEGG ID=C06136, HMP ID=HMDB04902, METLIN ID=7158 ]" 201053-27-2 "(1249.7361, 1354.895)(1250.7345, 1007.025)(1251.7429, 329.37)" Ganglioside GA1 (d18:1/16:0) FindByFormula HMDB04902 + C06136 1248.7314 26.58325 Ganglioside GA1 (d18:1/16:0) + 27.11225 "Ganglioside GA1 (d18:1/16:0) [ C60 H110 N2 O23, db=69.77, tgt=, overall=69.77, CAS ID=201053-27-2, KEGG ID=C06136, HMP ID=HMDB04902, METLIN ID=7158 ]" 201053-27-2 "(1249.7335, 1673.0999)(1250.7373, 1098.4824)(1251.7448, 649.22)" Ganglioside GA1 (d18:1/16:0) + 27.11225 FindByFormula HMDB04902 + C06136 1248.7266 27.11225 Ganglioside GA1 (d18:1/24:0) "Ganglioside GA1 (d18:1/24:0) [ C68 H126 N2 O23, db=79.85, tgt=, overall=79.85, CAS ID=98044-57-6, KEGG ID=C06136, HMP ID=HMDB04909, METLIN ID=7165 ]" 98044-57-6 "(1361.859, 1648.73)(1362.8636, 1299.8384)(1363.8667, 659.14667)(1364.8723, 369.26)" Ganglioside GA1 (d18:1/24:0) FindByFormula HMDB04909 + C06136 1360.8542 26.950333 Ganglioside GA1 (d18:1/24:1(15Z)) "Ganglioside GA1 (d18:1/24:1(15Z)) [ C68 H124 N2 O23, db=69.93, tgt=, overall=69.93, KEGG ID=C06136, HMP ID=HMDB04906, METLIN ID=7162 ]" "(1359.8468, 1640.35)(1360.8497, 1200.86)(1361.8573, 1308.9532)(1362.8607, 811.49)(1363.8625, 594.7)(1397.8074, 1516.57)" Ganglioside GA1 (d18:1/24:1(15Z)) FindByFormula HMDB04906 + C06136 1358.84 26.555666 Ganglioside GA1 (d18:1/9Z-18:1) "Ganglioside GA1 (d18:1/9Z-18:1) [ C62 H112 N2 O23, db=65.52, tgt=, overall=65.52, KEGG ID=C06136, HMP ID=HMDB04901, METLIN ID=7157 ]" "(627.39453, 3111.0625)(627.89655, 2402.0425)(628.3963, 1222.53)(628.9011, 628.01)(1253.778, 3908.8418)(1254.7805, 3304.032)(1255.7876, 1670.802)" Ganglioside GA1 (d18:1/9Z-18:1) FindByFormula HMDB04901 + C06136 1252.7739 13.7224 Ganglioside GD2 (d18:0/25:0) "Ganglioside GD2 (d18:0/25:0) [ C86 H155 N3 O34, db=83.48, tgt=, overall=83.48, HMP ID=HMDB11849, METLIN ID=62551 ]" "(888.03033, 4139.575)(888.52734, 3815.5498)(889.0338, 2247.235)(889.544, 898.03503)" Ganglioside GD2 (d18:0/25:0) FindByFormula HMDB11849 + 1774.0206 9.1735 Ganglioside GD2 (d18:1/14:0) "Ganglioside GD2 (d18:1/14:0) [ C75 H131 N3 O34, db=69.47, tgt=, overall=69.47, HMP ID=HMDB11852, METLIN ID=62554 ]" "(831.9214, 17120.887)(832.42267, 9144.22)(832.9116, 3288.0466)(833.4095, 1504.325)(1662.8353, 4065.7634)(1663.816, 2128.1433)(1664.797, 1161.1632)" Ganglioside GD2 (d18:1/14:0) FindByFormula HMDB11852 + 1661.8381 7.1820006 Ganglioside GM1 (d18:1/22:1(13Z)) "Ganglioside GM1 (d18:1/22:1(13Z)) [ C78 H138 N2 O31, db=70.35, tgt=, overall=70.35, HMP ID=HMDB11892, METLIN ID=62594 ]" "(1599.9357, 15480.648)(1600.9365, 6526.288)(1601.9395, 1370.7859)(1602.9319, 133.78)" Ganglioside GM1 (d18:1/22:1(13Z)) FindByFormula HMDB11892 + 1598.926 9.8278 Ganglioside GM2 (d18:0/14:0) "Ganglioside GM2 (d18:0/14:0) [ C64 H116 N2 O26, db=8.92, tgt=, overall=8.92, HMP ID=HMDB11895, METLIN ID=62597 ]" "(1329.794, 25052.744)(1330.2941, 17046.092)(1330.7933, 6195.2866)(1331.3159, 515.685)" Ganglioside GM2 (d18:0/14:0) FindByFormula HMDB11895 + 2657.5732 9.199667 Ganglioside GM2 (d18:0/18:1(11Z)) "Ganglioside GM2 (d18:0/18:1(11Z)) [ C68 H122 N2 O26, db=79.49, tgt=, overall=79.49, HMP ID=HMDB11898, METLIN ID=62600 ]" "(703.40906, 1803.52)(703.9168, 969.97)(704.397, 754.75)(704.8837, 474.79)(1405.8118, 84807.81)(1406.8146, 59955.21)(1407.817, 26785.719)(1408.8156, 11244.85)(1409.8214, 3356.0527)(1410.8506, 184.86)(722.38763, 3077.43)(722.8924, 1634.43)(723.3883, 1685.26)(714.40247, 16040.413)(714.9033, 11562.858)(715.4041, 6124.5938)(715.8983, 2589.4941)(716.4033, 1074.7067)" Ganglioside GM2 (d18:0/18:1(11Z)) FindByFormula HMDB11898 + 1404.805 8.981299 Ganglioside GM2 (d18:0/24:0) "Ganglioside GM2 (d18:0/24:0) [ C74 H134 N2 O26, db=71.22, tgt=, overall=71.22, HMP ID=HMDB11904, METLIN ID=62606 ]" "(756.4518, 8013.45)(756.9503, 4600.83)(757.4458, 1739.25)(757.9529, 751.87)" Ganglioside GM2 (d18:0/24:0) FindByFormula HMDB11904 + 1510.8885 9.051001 Ganglioside GM2 (d18:1/18:0) "Ganglioside GM2 (d18:1/18:0) [ C67 H121 N3 O26, db=76.58, tgt=, overall=76.58, CAS ID=226882-77-5, KEGG ID=C04884, HMP ID=HMDB04939, METLIN ID=7192 ]" 226882-77-5 "(1384.8323, 3156.925)(1385.8264, 2362.25)(1386.8379, 1172.315)(1406.8071, 3131.04)(692.9208, 2334.02)(693.91534, 721.185)" Ganglioside GM2 (d18:1/18:0) FindByFormula HMDB04939 + C04884 691.9103 1.123 Ganglioside GM2 (d18:1/18:0) + 1.1813333 "Ganglioside GM2 (d18:1/18:0) [ C67 H121 N3 O26, db=62.47, tgt=, overall=62.47, CAS ID=226882-77-5, KEGG ID=C04884, HMP ID=HMDB04939, METLIN ID=7192 ]" 226882-77-5 "(692.9212, 2822.8)(693.4175, 2736.0032)(693.9231, 909.4467)(694.4206, 277.21)(1384.8353, 2557.93)(1385.8363, 2071.25)(1386.8282, 854.8)(1387.8411, 532.19)(704.15765, 1653.74)(704.6578, 367.315)(704.8942, 211.98)(1423.2874, 797.33997)(1423.7852, 1029.43)(1424.8097, 713.97)(1406.8098, 2100.2349)(1407.8239, 2912.53)(1408.8143, 1445.98)" Ganglioside GM2 (d18:1/18:0) + 1.1813333 FindByFormula HMDB04939 + C04884 1383.8312 1.1813333 Ganglioside GM3 (d18:1/14:0) "Ganglioside GM3 (d18:1/14:0) [ C55 H100 N2 O21, db=59.20, tgt=, overall=59.20, HMP ID=HMDB11928, METLIN ID=62630 ]" "(1123.6757, 1408.03)(1124.6792, 924.67004)" Ganglioside GM3 (d18:1/14:0) FindByFormula HMDB11928 - 1124.6827 7.822 Ganglioside GM3 (d18:1/22:0) "Ganglioside GM3 (d18:1/22:0) [ C63 H116 N2 O21, db=68.66, tgt=, overall=68.66, CAS ID=138685-26-4, KEGG ID=C04730, HMP ID=HMDB04847, METLIN ID=7106 ]" 138685-26-4 "(608.4206, 11993.644)(608.9236, 9689.853)(609.42377, 4594.0786)(609.9262, 1448.1001)(1216.072, 522.495)(1216.8329, 358.41333)(1237.8098, 12346.774)(1238.8114, 10631.72)(1239.8126, 5498.973)(1240.8104, 1846.4917)" Ganglioside GM3 (d18:1/22:0) FindByFormula HMDB04847 + C04730 1214.8201 13.730832 Ganglioside GM3 (d18:1/22:0) + 13.638715 "Ganglioside GM3 (d18:1/22:0) [ C63 H116 N2 O21, db=85.39, tgt=, overall=85.39, CAS ID=138685-26-4, KEGG ID=C04730, HMP ID=HMDB04847, METLIN ID=7106 ]" 138685-26-4 "(1259.7947, 16842.3)(1260.7979, 14664.196)(1261.7969, 6210.7217)(1262.8015, 3279.7751)" Ganglioside GM3 (d18:1/22:0) + 13.638715 FindByFormula HMDB04847 + C04730 1258.7874 13.638715 Ganglioside GM3 (d18:1/22:0) + 13.6526 "Ganglioside GM3 (d18:1/22:0) [ C63 H116 N2 O21, db=88.66, tgt=, overall=88.66, CAS ID=138685-26-4, KEGG ID=C04730, HMP ID=HMDB04847, METLIN ID=7106 ]" 138685-26-4 "(1257.0922, 1590.226)(1257.5863, 1029.922)(1257.9103, 1238.01)(1258.2865, 437.54996)(1258.7838, 722.11005)(619.4062, 2013.0098)(619.90564, 1671.166)(620.40717, 1210.392)(1237.8092, 14984.472)(1238.8127, 12776.492)(1239.8138, 6605.6)(1240.8076, 2164.698)(1275.7633, 1125.936)(1276.7678, 781.486)(1277.7731, 775.26794)(1259.7942, 22170.998)(1260.7977, 19381.863)(1261.7996, 8233.754)(1262.802, 3814.6902)" Ganglioside GM3 (d18:1/22:0) + 13.6526 FindByFormula HMDB04847 + C04730 1236.8123 13.6526 Ganglioside GM3 (d18:1/22:0) + 13.672166 "Ganglioside GM3 (d18:1/22:0) [ C63 H116 N2 O21, db=72.08, tgt=, overall=72.08, CAS ID=138685-26-4, KEGG ID=C04730, HMP ID=HMDB04847, METLIN ID=7106 ]" 138685-26-4 "(619.4049, 1731.2467)(619.9056, 1434.3301)(620.40656, 1010.4367)(1237.8092, 12560.126)(1238.813, 10741.483)(1239.8143, 5575.885)(1240.809, 2149.6301)" Ganglioside GM3 (d18:1/22:0) + 13.672166 FindByFormula HMDB04847 + C04730 1236.8004 13.672166 Ganglioside GM3 (d18:1/22:0) + 13.674834 "Ganglioside GM3 (d18:1/22:0) [ C63 H116 N2 O21, db=77.88, tgt=, overall=77.88, CAS ID=138685-26-4, KEGG ID=C04730, HMP ID=HMDB04847, METLIN ID=7106 ]" 138685-26-4 "(1221.8324, 1982.2817)(1222.8378, 1913.6733)(1223.8376, 1881.5121)(1224.8342, 526.135)(1259.7943, 19310.295)(1260.7983, 16902.207)(1261.7972, 7103.1978)(1243.8226, 4639.1777)(1244.8257, 3827.7883)(1245.8232, 2732.282)" Ganglioside GM3 (d18:1/22:0) + 13.674834 FindByFormula HMDB04847 + C04730 1220.8304 13.674834 Ganglioside GM3 (d18:1/24:1(15Z)) "Ganglioside GM3 (d18:1/24:1(15Z)) [ C65 H118 N2 O21, db=74.75, tgt=, overall=74.75, CAS ID=1408313-38-1, KEGG ID=C04730, HMP ID=HMDB04848, METLIN ID=7107 ]" 1408313-38-1 "(632.4169, 2650.1)(632.9187, 2450.635)(633.42145, 1208.755)" Ganglioside GM3 (d18:1/24:1(15Z)) FindByFormula HMDB04848 + C04730 1262.8251 11.396999 Ganoderic acid beta "Ganoderic acid beta [ C30 H44 O6, db=77.08, tgt=, overall=77.08, CAS ID=217476-76-1, HMP ID=HMDB33234, METLIN ID=89101 ]" 217476-76-1 "(523.3026, 60364.35)(524.30493, 18677.842)(525.3026, 7990.855)(526.3017, 1681.4586)" Ganoderic acid beta FindByFormula HMDB33234 + 522.2959 17.427067 Ganoderic acid beta - 13.160001 "Ganoderic acid beta [ C30 H44 O6, db=90.31, tgt=, overall=90.31, CAS ID=217476-76-1, HMP ID=HMDB33234, METLIN ID=89101 ]" 217476-76-1 "(499.30792, 3059.5542)(500.31113, 948.952)(501.31302, 336.88)" Ganoderic acid beta - 13.160001 FindByFormula HMDB33234 - 500.319 13.160001 Gentamicin "Gentamicin [ C21 H43 N5 O7, db=83.98, tgt=, overall=83.98, CAS ID=1403-66-3, KEGG ID=C00505, HMP ID=HMDB14936, METLIN ID=3041 ]" 1403-66-3 "(478.32175, 6965.9014)(479.32327, 1340.0844)(480.32803, 273.305)" Gentamicin FindByFormula HMDB14936 + C00505 477.3145 18.461185 Gentamicin + 18.7775 "Gentamicin [ C21 H43 N5 O7, db=82.94, tgt=, overall=82.94, CAS ID=1403-66-3, KEGG ID=C00505, HMP ID=HMDB14936, METLIN ID=3041 ]" 1403-66-3 "(478.32202, 10208.047)(479.32233, 2106.052)(480.3251, 242.41)" Gentamicin + 18.7775 FindByFormula HMDB14936 + C00505 477.3141 18.7775 Gentamicin C2 "Gentamicin C2 [ C20 H41 N5 O7, db=83.75, tgt=, overall=83.75, CAS ID=25876-11-3, KEGG ID=C02033, METLIN ID=3054 ]" 25876-11-3 "(464.30594, 244869.58)(465.30835, 46106.094)(466.31848, 12142.634)(467.32574, 2905.6167)" Gentamicin C2 FindByFormula + C02033 463.298 17.51168 Gentamicin C2 + 1.1224 "Gentamicin C2 [ C20 H41 N5 O7, db=11.71, tgt=, overall=11.71, CAS ID=25876-11-3, KEGG ID=C02033, METLIN ID=3054 ]" 25876-11-3 "(486.28867, 2228.358)(486.78925, 1029.036)(487.29114, 867.7775)(487.78622, 172.88)(971.5673, 1081.13)(972.5818, 701.68)(973.5839, 1239.74)(497.27347, 1314.9)(497.77853, 655.87335)(498.26477, 428.33334)" Gentamicin C2 + 1.1224 FindByFormula + C02033 970.5616 1.1224 Gentamicin X2 "Gentamicin X2 [ C19 H38 N4 O10, db=81.43, tgt=, overall=81.43, CAS ID=36889-17-5, KEGG ID=C17702, METLIN ID=71866 ]" 36889-17-5 "(987.50525, 1096.7)(988.51355, 776.18)(989.49426, 422.69998)(483.2674, 5133.66)(484.26782, 1532.74)(485.26642, 381.45398)(521.22644, 459.03497)(505.25116, 4327.104)(506.25415, 1312.24)(507.25653, 355.366)" Gentamicin X2 FindByFormula + C17702 482.2621 13.652201 Gentiobiose "Gentiobiose [ C12 H22 O11, db=87.53, tgt=, overall=87.53, CAS ID=554-91-6, KEGG ID=C08240, METLIN ID=44757 ]" 554-91-6 "(365.1063, 3945.7485)(366.1048, 667.0801)(367.11063, 191.91429)" Gentiobiose FindByFormula + C08240 364.0998 0.92528576 Gentiobiose - 0.920875 "Gentiobiose [ C12 H22 O11, db=71.58, tgt=, overall=71.58, CAS ID=554-91-6, KEGG ID=C08240, METLIN ID=44757 ]" 554-91-6 "(377.0873, 1623.6913)(378.0929, 290.23624)(379.0862, 669.28754)(341.11105, 507.25)" Gentiobiose - 0.920875 FindByFormula - C08240 342.118 0.920875 "Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate" "Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate [ C20 H30 O13, db=70.19, tgt=, overall=70.19, CAS ID=, HMP ID=HMDB32134, METLIN ID=88215 ]" "(501.1584, 4114.005)(502.1658, 924.80005)" "Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate" FindByFormula HMDB32134 + 500.1525 6.663 Geranylhydroquinone "Geranylhydroquinone [ C16 H22 O2, db=80.68, tgt=, overall=80.68, CAS ID=10457-66-6, KEGG ID=C10793, METLIN ID=64006 ]" 10457-66-6 "(269.1505, 1809.795)(270.15356, 385.99)" Geranylhydroquinone FindByFormula + C10793 268.1433 2.122 Germanicol cinnamate "Germanicol cinnamate [ C39 H56 O2, mfg=63.56, db=63.61, tgt=, overall=63.59, CAS ID=65883-48-9, HMP ID=HMDB34514, METLIN ID=89986 ]" 65883-48-9 "(557.4375, 3618.62)(558.43726, 1097.74)(559.43304, 567.51666)" Germanicol cinnamate FindByFormula HMDB34514 + 556.4304 26.067999 Gibberellin A8-catabolite "Gibberellin A8-catabolite [ C19 H22 O7, db=81.09, tgt=, overall=81.09, Lipid ID=LMPR0104170027, KEGG ID=C11870, METLIN ID=41239 ]" "(361.12906, 2411.8)(362.1313, 430.62)" Gibberellin A8-catabolite FindByFormula - C11870 LMPR0104170027 362.1371 10.441 Gibberellin A8-catabolite - 10.533 "Gibberellin A8-catabolite [ C19 H22 O7, db=80.78, tgt=, overall=80.78, Lipid ID=LMPR0104170027, KEGG ID=C11870, METLIN ID=41239 ]" "(361.1283, 3750.4849)(362.13165, 691.525)" Gibberellin A8-catabolite - 10.533 FindByFormula - C11870 LMPR0104170027 362.1354 10.533 Gingerenone B "Gingerenone B [ C22 H26 O6, db=99.03, tgt=, overall=99.03, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(409.16226, 1448884.5)(410.16617, 329161.28)(411.16934, 53907.72)(412.17282, 5614.259)" Gingerenone B FindByFormula HMDB35405 + 408.1563 11.7811 Gingerenone B - 9.178249 "Gingerenone B [ C22 H26 O6, db=67.98, tgt=, overall=67.98, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(385.1672, 9780.663)(386.1703, 2037.42)(387.1716, 2023.7749)" Gingerenone B - 9.178249 FindByFormula HMDB35405 - 386.1746 9.178249 Gingerenone B + 11.798547 "Gingerenone B [ C22 H26 O6, db=98.86, tgt=, overall=98.86, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(409.1622, 1157469.5)(410.16602, 260200.81)(411.1693, 42736.094)(412.1719, 11813.62)" Gingerenone B + 11.798547 FindByFormula HMDB35405 + 408.1579 11.798547 Gingerenone B + 11.854714 "Gingerenone B [ C22 H26 O6, db=98.16, tgt=, overall=98.16, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(409.16202, 1303674.6)(410.1662, 284910.53)(411.16888, 48155.06)(412.17462, 5687.0654)(413.1763, 217.72)" Gingerenone B + 11.854714 FindByFormula HMDB35405 + 408.1552 11.854714 Gingerenone B + 12.4111 "Gingerenone B [ C22 H26 O6, db=99.16, tgt=, overall=99.16, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(795.33594, 1296.9135)(796.3401, 652.498)(797.3331, 418.65247)(387.1805, 24022.975)(388.18372, 6169.003)(389.18677, 1170.7051)(390.18765, 345.88663)(425.13608, 59286.707)(426.13937, 15080.431)(427.13748, 6437.121)(428.13913, 1521.23)(429.13702, 519.42505)(409.16217, 458019.2)(410.16562, 102159.836)(411.16806, 18437.81)(412.1705, 2365.71)(413.17407, 353.06998)" Gingerenone B + 12.4111 FindByFormula HMDB35405 + 386.1741 12.4111 Gingerenone B + 12.415668 "Gingerenone B [ C22 H26 O6, db=99.56, tgt=, overall=99.56, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(795.33765, 1202.9875)(796.3416, 776.2933)(387.18057, 18575.81)(388.1837, 4906.518)(389.18686, 833.7933)(425.13614, 48200.45)(426.13956, 12177.657)(427.1377, 5137.11)(428.13925, 1176.258)(409.1623, 387247.94)(410.16568, 88761.414)(411.1682, 15834.136)(412.17047, 1575.39)" Gingerenone B + 12.415668 FindByFormula HMDB35405 + 386.1734 12.415668 Gingerenone B + 12.4164295 "Gingerenone B [ C22 H26 O6, db=99.38, tgt=, overall=99.38, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(409.16217, 417893.16)(410.16556, 94370.39)(411.16803, 16880.059)(412.17032, 2304.4)(413.1735, 195.17)" Gingerenone B + 12.4164295 FindByFormula HMDB35405 + 408.1572 12.4164295 Gingerenone B + 12.416668 "Gingerenone B [ C22 H26 O6, db=99.55, tgt=, overall=99.55, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(795.3367, 1829.4767)(796.3416, 933.23)(797.3378, 385.72)(798.3478, 24.07)(387.18048, 20555.354)(388.18378, 5283.49)(389.18655, 940.8101)(425.13608, 54629.266)(426.13947, 13766.824)(427.13757, 5863.094)(428.1393, 1454.04)(429.1411, 189.15)(409.16232, 398709.0)(410.16565, 91619.81)(411.16812, 16468.518)(412.17072, 2148.7778)(413.1735, 195.17)" Gingerenone B + 12.416668 FindByFormula HMDB35405 + 386.1748 12.416668 Gingerenone B + 12.4185 "Gingerenone B [ C22 H26 O6, db=99.58, tgt=, overall=99.58, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(811.3165, 72.54)(795.3365, 2054.55)(796.3425, 876.725)(797.3346, 479.55)(798.3491, 93.17)(387.18042, 20175.266)(388.1836, 5205.145)(389.18726, 911.73505)(390.1896, 237.34)(425.136, 52367.977)(426.13934, 13173.339)(427.13745, 5568.7256)(428.13928, 1273.4725)(429.13968, 251.88667)(409.16238, 383887.9)(410.16574, 88887.56)(411.16818, 15905.262)(412.17072, 2148.7778)(413.17307, 350.22665)" Gingerenone B + 12.4185 FindByFormula HMDB35405 + 386.1724 12.4185 Gingerenone B + 12.4237995 "Gingerenone B [ C22 H26 O6, db=98.90, tgt=, overall=98.90, CAS ID=128700-98-1, HMP ID=HMDB35405, METLIN ID=90697 ]" 128700-98-1 "(409.1624, 426185.5)(410.16592, 94506.3)(411.1683, 16883.84)(412.1705, 1948.335)" Gingerenone B + 12.4237995 FindByFormula HMDB35405 + 408.1591 12.4237995 Gingerol "Gingerol [ C17 H26 O4, db=93.45, tgt=, overall=93.45, CAS ID=58253-27-3, KEGG ID=C10462, HMP ID=HMDB05783, METLIN ID=58313 ]" 58253-27-3 "(293.17453, 10980.343)(294.17764, 2171.378)(295.18018, 294.85913)" Gingerol FindByFormula HMDB05783 - C10462 294.1797 12.02997 Ginsenoside Re "Ginsenoside Re [ C48 H82 O18, db=79.98, tgt=, overall=79.98, CAS ID=52286-59-6, KEGG ID=C08944, METLIN ID=67292 ]" 52286-59-6 "(969.53827, 2760.4402)(970.54816, 1507.4467)(971.5451, 743.84)" Ginsenoside Re FindByFormula + C08944 968.5315 12.736667 Ginsenoyne A linoleate "Ginsenoyne A linoleate [ C35 H52 O3, db=59.19, tgt=, overall=59.19, CAS ID=155551-20-5, HMP ID=HMDB41203, METLIN ID=95624 ]" 155551-20-5 "(543.3834, 2078.62)(544.3782, 978.0)(565.364, 984.24)" Ginsenoyne A linoleate FindByFormula HMDB41203 + 542.3768 7.8805 Glabrin C "Glabrin C [ C41 H64 N8 O9, db=65.87, tgt=, overall=65.87, CAS ID=, HMP ID=HMDB33612, METLIN ID=89414 ]" "(811.4716, 1318.0688)(812.4749, 645.68335)" Glabrin C FindByFormula HMDB33612 - 812.4779 7.082444 Glaucarubin "Glaucarubin [ C25 H36 O10, db=76.82, tgt=, overall=76.82, CAS ID=1448-23-3, KEGG ID=C08760, METLIN ID=67179 ]" 1448-23-3 "(497.23724, 4298.468)(498.24097, 1494.9288)(499.24033, 744.57996)" Glaucarubin FindByFormula + C08760 496.2301 7.7731247 Glaucarubin - 7.9700003 "Glaucarubin [ C25 H36 O10, db=69.18, tgt=, overall=69.18, CAS ID=1448-23-3, KEGG ID=C08760, METLIN ID=67179 ]" 1448-23-3 "(495.22345, 1212.395)(496.2269, 451.735)" Glaucarubin - 7.9700003 FindByFormula - C08760 496.2304 7.9700003 Glaucarubin + 7.7015 "Glaucarubin [ C25 H36 O10, db=81.86, tgt=, overall=81.86, CAS ID=1448-23-3, KEGG ID=C08760, METLIN ID=67179 ]" 1448-23-3 "(497.23767, 2989.42)(498.23846, 1032.5)(499.2484, 281.59)" Glaucarubin + 7.7015 FindByFormula + C08760 496.2308 7.7015 GlcCer(d18:1/16:0) "GlcCer(d18:1/16:0) [ C40 H77 N O8, db=94.75, tgt=, overall=94.75, Lipid ID=LMSP0501AA03, METLIN ID=41606 ]" "(722.5548, 17242.197)(723.5572, 7941.6616)(724.55634, 2128.8298)(725.5539, 621.83997)" GlcCer(d18:1/16:0) FindByFormula + LMSP0501AA03 721.5462 24.291 GlcCer(d18:1/16:0) + 24.32521 "GlcCer(d18:1/16:0) [ C40 H77 N O8, db=91.29, tgt=, overall=91.29, Lipid ID=LMSP0501AA03, METLIN ID=41606 ]" "(722.55566, 13202.559)(723.5575, 6197.28)(724.5564, 1630.3406)" GlcCer(d18:1/16:0) + 24.32521 FindByFormula + LMSP0501AA03 721.5483 24.32521 GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) "GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) [ C62 H113 N3 O23, db=81.96, tgt=, overall=81.96, Lipid ID=LMSP0503AN01, METLIN ID=54494 ]" "(1268.778, 17897.215)(1269.7814, 12010.994)(1270.7847, 5502.4)(1271.7864, 965.51)" GlcNAcbeta1-3(GalNAcbeta1-4)Galbeta1-4Glcbeta-Cer(d18:1/16:0) FindByFormula + LMSP0503AN01 1267.7743 8.901 GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) "GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) [ C112 H197 N5 O53, db=53.96, tgt=, overall=53.96, Lipid ID=LMSP0505BP08, METLIN ID=55302 ]" "(1253.1277, 4884.1353)(1253.6309, 1909.62)(1254.1284, 853.30005)" GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) FindByFormula + LMSP0505BP08 2504.237 7.2365 Gliquidone "Gliquidone [ C27 H33 N3 O6 S, db=66.95, tgt=, overall=66.95, CAS ID=33342-05-1, KEGG ID=D02430, HMP ID=HMDB15381, METLIN ID=3123 ]" 33342-05-1 "(526.20056, 1890.7449)(527.2053, 529.63)" Gliquidone FindByFormula HMDB15381 - D02430 527.2064 7.0220003 Gln Arg Trp "Gln Arg Trp [ C22 H32 N8 O5, db=60.35, tgt=, overall=60.35, METLIN ID=19988 ]" "(511.23657, 5873.1997)(512.2377, 2294.9648)(513.2346, 491.70752)" Gln Arg Trp FindByFormula + 510.2252 16.20375 Gln Gly Phe "Gln Gly Phe [ C16 H22 N4 O5, db=95.77, tgt=, overall=95.77, METLIN ID=20408 ]" "(351.16693, 16408.73)(352.1696, 3563.9575)(353.1753, 697.10333)" Gln Gly Phe FindByFormula + 350.1607 9.8015 Gln Ile Gln "Gln Ile Gln [ C16 H29 N5 O6, db=52.58, tgt=, overall=52.58, METLIN ID=18997 ]" "(410.20032, 1898.255)(411.20758, 725.30005)" Gln Ile Gln FindByFormula + 409.1929 9.37 Gln Pro Glu "Gln Pro Glu [ C15 H24 N4 O7, db=73.42, tgt=, overall=73.42, METLIN ID=21778 ]" "(373.17053, 5458.303)(374.17212, 1204.7899)" Gln Pro Glu FindByFormula + 372.1627 11.859668 Gln Tyr Lys "Gln Tyr Lys [ C20 H31 N5 O6, db=17.45, tgt=, overall=17.45, METLIN ID=18989 ]" "(438.2348, 1875.135)(439.2275, 1459.83)(440.2241, 224.28)(460.2244, 1109.56)(461.233, 653.59)" Gln Tyr Lys FindByFormula + 437.2258 10.1725 Gln Val Leu "Gln Val Leu [ C16 H30 N4 O5, mfg=77.98, db=78.03, tgt=, overall=78.00, METLIN ID=20465 ]" "(359.22754, 5120.1367)(360.23007, 819.7133)(381.21265, 1595.265)" Gln Val Leu FindByFormula + 358.2233 6.730667 Gln Val Leu - 6.815 "Gln Val Leu [ C16 H30 N4 O5, db=66.20, tgt=, overall=66.20, METLIN ID=20465 ]" "(715.4377, 4701.317)(716.4399, 1765.9366)(357.21756, 2282.9834)(358.21533, 482.65332)" Gln Val Leu - 6.815 FindByFormula - 358.2229 6.815 Gln Val Leu - 6.9084997 "Gln Val Leu [ C16 H30 N4 O5, db=59.04, tgt=, overall=59.04, METLIN ID=20465 ]" "(715.4383, 1862.7867)(716.4412, 713.66)(357.21387, 1508.7025)(358.21725, 571.035)" Gln Val Leu - 6.9084997 FindByFormula - 358.223 6.9084997 Glu Ile Arg "Glu Ile Arg [ C17 H32 N6 O6, db=97.84, tgt=, overall=97.84, METLIN ID=15850 ]" "(417.24612, 14893.118)(418.2475, 3241.7717)(419.24957, 580.27625)(420.2409, 96.83)(455.19604, 500.40833)(439.2273, 4046.7974)(440.22998, 891.1119)(441.2252, 161.88667)" Glu Ile Arg FindByFormula + 416.2382 3.1559315 Glu Ile Arg + 3.1705163 "Glu Ile Arg [ C17 H32 N6 O6, db=97.89, tgt=, overall=97.89, METLIN ID=15850 ]" "(417.24615, 14257.985)(418.24814, 3145.2466)(419.25143, 555.84766)(420.2572, 295.45)(455.19714, 877.2234)(439.22754, 3790.5444)(440.23004, 843.3268)(441.2308, 219.60468)" Glu Ile Arg + 3.1705163 FindByFormula + 416.2384 3.1705163 Glu Ile Arg + 3.181 "Glu Ile Arg [ C17 H32 N6 O6, db=67.35, tgt=, overall=67.35, METLIN ID=15850 ]" "(439.2276, 2710.4849)(440.23203, 849.58246)" Glu Ile Arg + 3.181 FindByFormula + 438.2189 3.181 Glu Ile Lys "Glu Ile Lys [ C17 H32 N4 O6, db=79.65, tgt=, overall=79.65, METLIN ID=16755 ]" "(389.23947, 3441.845)(390.2422, 863.0417)(411.2218, 813.3133)" Glu Ile Lys FindByFormula + 388.2334 2.7366667 Glu Ile Lys - 6.74 "Glu Ile Lys [ C17 H32 N4 O6, db=71.36, tgt=, overall=71.36, METLIN ID=16755 ]" "(387.2268, 1193.19)(388.23132, 238.375)" Glu Ile Lys - 6.74 FindByFormula - 388.2345 6.74 Glu Ile Lys + 2.7231667 "Glu Ile Lys [ C17 H32 N4 O6, mfg=78.25, db=78.13, tgt=, overall=78.19, METLIN ID=16755 ]" "(389.2394, 3104.7285)(390.24033, 723.6517)(411.22202, 893.376)" Glu Ile Lys + 2.7231667 FindByFormula + 388.2324 2.7231667 Glu Leu "Glu Leu [ C11 H20 N2 O5, db=84.28, tgt=, overall=84.28, CAS ID=5969-52-8, METLIN ID=44684 ]" 5969-52-8 "(261.14508, 2829.7974)(262.15067, 369.0425)(263.14508, 148.41667)(283.12704, 521.305)(284.1247, 89.52)" Glu Leu FindByFormula + 260.1382 4.0055 Glu Leu Val "Glu Leu Val [ C16 H29 N3 O6, db=92.46, tgt=, overall=92.46, METLIN ID=19672 ]" "(360.2142, 6204.989)(361.2168, 1325.8685)(362.2181, 366.15)(398.1659, 639.04)(382.1972, 3608.38)(383.1846, 462.72)" Glu Leu Val FindByFormula + 359.2074 7.2522855 Glu Leu Val + 7.8170004 "Glu Leu Val [ C16 H29 N3 O6, db=85.65, tgt=, overall=85.65, METLIN ID=19672 ]" "(360.21387, 3463.08)(361.2103, 614.185)(362.2098, 117.46)(398.1762, 408.03)(382.2018, 291.7)" Glu Leu Val + 7.8170004 FindByFormula + 359.2064 7.8170004 Glu Lys Ala "Glu Lys Ala [ C14 H26 N4 O6, mfg=72.83, db=72.71, tgt=, overall=72.77, METLIN ID=18066 ]" "(347.19275, 2074.72)(348.1942, 510.2375)(369.17642, 1229.695)(370.17648, 349.72748)" Glu Lys Ala FindByFormula + 346.1866 2.4980001 Glu Pro Pro "Glu Pro Pro [ C15 H23 N3 O6, db=77.77, tgt=, overall=77.77, METLIN ID=17828 ]" "(342.16586, 3080.51)(343.16833, 724.82)(364.1456, 280.13)" Glu Pro Pro FindByFormula + 341.1592 1.41 Glu Thr Tyr "Glu Thr Tyr [ C18 H25 N3 O8, db=77.02, tgt=, overall=77.02, METLIN ID=20235 ]" "(410.15857, 2203.2097)(411.1606, 471.04666)" Glu Thr Tyr FindByFormula - 411.1665 6.750556 Glucoconvallasaponin B "Glucoconvallasaponin B [ C38 H62 O15, db=84.81, tgt=, overall=84.81, CAS ID=16939-88-1, HMP ID=HMDB34327, METLIN ID=89848 ]" 16939-88-1 "(402.1942, 1870.86)(402.69366, 680.36)(403.19565, 309.26)(803.3739, 642.27)" Glucoconvallasaponin B FindByFormula HMDB34327 + 802.3747 4.2580004 "Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate" "Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate [ C21 H36 O9, db=43.39, tgt=, overall=43.39, CAS ID=204927-92-4, HMP ID=HMDB37823, METLIN ID=92633 ]" 204927-92-4 "(887.4622, 240.43)(433.243, 3410.22)(434.2421, 833.51666)(435.2434, 1943.57)" "Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate" FindByFormula HMDB37823 + 432.2382 7.346334 Glu-P-2 "Glu-P-2 [ C10 H8 N4, db=85.90, tgt=, overall=85.90, CAS ID=67730-10-3, KEGG ID=C19245, METLIN ID=72966 ]" 67730-10-3 "(183.06711, 5424.3545)(184.07014, 595.77997)" Glu-P-2 FindByFormula - C19245 184.074 8.084071 Glutamyl-glutamic acid "Glutamyl-glutamic acid [ C10 H16 N2 O7, db=70.49, tgt=, overall=70.49, CAS ID=3929-61-1, KEGG ID=C01425, METLIN ID=65595 ]" 3929-61-1 "(277.1021, 1790.2849)(278.1014, 239.785)(299.0887, 405.49)" Glutamyl-glutamic acid FindByFormula + C01425 276.097 0.9735 Glutamyl-hydroxyproline "Glutamyl-hydroxyproline [ C10 H16 N2 O6, db=59.93, tgt=, overall=59.93, CAS ID=, HMP ID=HMDB28820, METLIN ID=85734 ]" "(153.03964, 2128.0752)(153.54385, 446.91)" Glutamyl-hydroxyproline FindByFormula HMDB28820 + 304.0667 11.792 Glutamyl-hydroxyproline + 12.372001 "Glutamyl-hydroxyproline [ C10 H16 N2 O6, db=69.44, tgt=, overall=69.44, CAS ID=, HMP ID=HMDB28820, METLIN ID=85734 ]" "(153.03912, 2307.49)(153.54236, 439.53998)" Glutamyl-hydroxyproline + 12.372001 FindByFormula HMDB28820 + 304.065 12.372001 Glutathionylcobalamin "Glutathionylcobalamin [ C72 H105 Co N16 O20 P S, db=71.43, tgt=, overall=71.43, CAS ID=129128-04-7, HMP ID=HMDB02202, METLIN ID=58106 ]" 129128-04-7 "(1658.6378, 15319.76)(1659.6407, 7169.455)(1660.6447, 1258.8201)(1661.6646, 391.74)" Glutathionylcobalamin FindByFormula HMDB02202 + 1657.6328 9.811001 Gly Arg Ile "Gly Arg Ile [ C14 H28 N6 O4, db=62.83, tgt=, overall=62.83, METLIN ID=19916 ]" "(345.22574, 2513.3667)(346.2216, 676.17)" Gly Arg Ile FindByFormula + 344.219 1.1183333 Gly Ile Met "Gly Ile Met [ C13 H25 N3 O4 S, mfg=66.94, db=66.64, tgt=, overall=66.79, METLIN ID=19481 ]" "(320.1621, 1802.99)(321.1632, 807.56)(342.14502, 2221.0151)(343.1488, 522.58)" Gly Ile Met FindByFormula + 319.1556 7.3335 Glycerophospho-N-Oleoyl Ethanolamine "Glycerophospho-N-Oleoyl Ethanolamine [ C23 H46 N O7 P, db=86.65, tgt=, overall=86.65, CAS ID=201738-24-1, METLIN ID=45335 ]" 201738-24-1 "(251.6463, 697.92163)(252.14453, 165.11)(502.28986, 13794.021)(503.28992, 3669.382)(504.29117, 853.4295)(540.2416, 533.02997)(524.27216, 4973.2715)(525.2797, 1411.2007)(526.277, 355.72455)" Glycerophospho-N-Oleoyl Ethanolamine FindByFormula + 501.2845 15.070129 Glycerophospho-N-Oleoyl Ethanolamine - 15.151333 "Glycerophospho-N-Oleoyl Ethanolamine [ C23 H46 N O7 P, db=89.02, tgt=, overall=89.02, CAS ID=201738-24-1, METLIN ID=45335 ]" 201738-24-1 "(478.29153, 6333.518)(479.29483, 1632.4033)(480.30026, 319.13336)" Glycerophospho-N-Oleoyl Ethanolamine - 15.151333 FindByFormula - 479.2981 15.151333 Glycerophospho-N-Oleoyl Ethanolamine + 15.104501 "Glycerophospho-N-Oleoyl Ethanolamine [ C23 H46 N O7 P, db=91.14, tgt=, overall=91.14, CAS ID=201738-24-1, METLIN ID=45335 ]" 201738-24-1 "(959.6025, 150.38667)(960.58466, 123.165)(997.5775, 74.08)(480.30817, 18476.191)(481.3093, 5043.976)(482.30988, 531.9263)(483.3123, 93.01)(502.2903, 22158.275)(503.29108, 5919.8936)(504.2912, 1242.0157)(505.266, 59.36)" Glycerophospho-N-Oleoyl Ethanolamine + 15.104501 FindByFormula + 479.2993 15.104501 Glycerophospho-N-Oleoyl Ethanolamine + 15.107777 "Glycerophospho-N-Oleoyl Ethanolamine [ C23 H46 N O7 P, db=85.64, tgt=, overall=85.64, CAS ID=201738-24-1, METLIN ID=45335 ]" 201738-24-1 "(959.6167, 527.29)(960.6401, 182.97)(997.5539, 4076.915)(998.5634, 1991.5299)(480.30756, 17745.125)(481.30902, 4858.701)(482.30817, 468.63275)(502.28955, 21353.352)(503.28992, 5851.204)(504.2902, 1200.1558)(505.29266, 172.0)" Glycerophospho-N-Oleoyl Ethanolamine + 15.107777 FindByFormula + 479.2988 15.107777 Glycerophospho-N-Palmitoyl Ethanolamine "Glycerophospho-N-Palmitoyl Ethanolamine [ C21 H44 N O7 P, db=60.40, tgt=, overall=60.40, CAS ID=100575-09-5, METLIN ID=45334 ]" 100575-09-5 "(476.2752, 3463.5903)(477.27548, 1277.418)" Glycerophospho-N-Palmitoyl Ethanolamine FindByFormula + 475.2683 14.316401 "Glycine, N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-" "Glycine, N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]- [ C26 H43 N O8 S, db=89.25, tgt=, overall=89.25, CAS ID=67030-55-1, HMP ID=HMDB02496, METLIN ID=6701 ]" 67030-55-1 "(263.63007, 912.16003)(264.13, 274.355)(528.26575, 4232.365)(529.26965, 1280.865)(530.26764, 472.59503)" "Glycine, N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-" FindByFormula HMDB02496 - 529.2737 9.817499 "Glycine, N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]- - 9.8880005" "Glycine, N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]- [ C26 H43 N O8 S, db=87.92, tgt=, overall=87.92, CAS ID=67030-55-1, HMP ID=HMDB02496, METLIN ID=6701 ]" 67030-55-1 "(263.629, 1170.17)(264.1292, 336.57)(264.626, 113.6)(528.26135, 4821.475)(529.2648, 1530.05)(530.2671, 530.84)(531.2863, 119.2)" "Glycine, N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]- - 9.8880005" FindByFormula HMDB02496 - 529.2719 9.8880005 Glycocholic acid "Glycocholic acid [ C26 H43 N O6, db=98.98, tgt=, overall=98.98, CAS ID=475-31-0, Lipid ID=LMST05030001, KEGG ID=C01921, HMP ID=HMDB00138, METLIN ID=202 ]" 475-31-0 "(975.601, 111.27)(488.29803, 10295.922)(489.30203, 2999.936)(490.30234, 586.2975)(526.2579, 368.36)(510.27988, 3376.077)(511.28024, 1056.7485)(512.28174, 229.99666)" Glycocholic acid FindByFormula HMDB00138 + C01921 LMST05030001 487.2913 10.282374 Glycodeoxycholic acid "Glycodeoxycholic acid [ C26 H43 N O5, db=80.73, tgt=, overall=80.73, HMP ID=HMDB04012, METLIN ID=7000 ]" "(472.30225, 5075.8096)(473.3072, 1567.1589)(474.302, 530.79)(494.2838, 1946.7333)(495.28455, 586.2478)(496.2835, 231.6)" Glycodeoxycholic acid FindByFormula HMDB04012 + 471.2961 11.557699 Glycodeoxycholic acid - 10.3505 "Glycodeoxycholic acid [ C26 H43 N O5, db=90.21, tgt=, overall=90.21, HMP ID=HMDB04012, METLIN ID=7000 ]" "(448.305, 4190.08)(449.3085, 1258.5701)(450.30716, 172.02)" Glycodeoxycholic acid - 10.3505 FindByFormula HMDB04012 - 449.3117 10.3505 Glycodeoxycholic acid - 11.55491 "Glycodeoxycholic acid [ C26 H43 N O5, db=91.98, tgt=, overall=91.98, HMP ID=HMDB04012, METLIN ID=7000 ]" "(448.30496, 4610.0723)(449.30954, 1380.7428)(450.31165, 324.40747)" Glycodeoxycholic acid - 11.55491 FindByFormula HMDB04012 - 449.3135 11.55491 Glycyl-H-1152 "Glycyl-H-1152 [ C18 H24 N4 O3 S, db=81.14, tgt=, overall=81.14, CAS ID=913844-45-8, METLIN ID=45671 ]" 913844-45-8 "(399.14636, 4618.7744)(400.14606, 973.8587)(401.1417, 544.2689)" Glycyl-H-1152 FindByFormula + 398.1388 0.9496667 Gmelinol "Gmelinol [ C22 H26 O7, db=67.14, tgt=, overall=67.14, CAS ID=469-28-3, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29021 ]" 469-28-3 "(827.32446, 20139.06)(828.33276, 8635.487)(829.32904, 6575.807)(403.17752, 5549.8066)" Gmelinol FindByFormula + 402.1666 6.7693334 Gnemonol A "Gnemonol A [ C42 H32 O10, db=9.90, tgt=, overall=9.90, CAS ID=, HMP ID=HMDB39969, METLIN ID=94510 ]" "(697.2089, 11419.793)(697.70654, 2411.39)(698.2063, 383.35498)(1393.4078, 2055.86)" Gnemonol A FindByFormula HMDB39969 + 1392.4037 6.9396667 Gomisin L1 methyl ether "Gomisin L1 methyl ether [ C23 H28 O6, db=69.02, tgt=, overall=69.02, CAS ID=82467-51-4, KEGG ID=C10621, METLIN ID=68436 ]" 82467-51-4 "(423.1776, 1551.5878)(424.18164, 558.19446)" Gomisin L1 methyl ether FindByFormula + C10621 422.1705 12.527111 Goshonoside F6 "Goshonoside F6 [ C31 H52 O12, db=53.81, tgt=, overall=53.81, CAS ID=138614-60-5, HMP ID=HMDB38542, METLIN ID=93215 ]" 138614-60-5 "(639.33484, 5033.395)(640.3428, 2468.5)" Goshonoside F6 FindByFormula HMDB38542 + 638.3249 7.042 Gossypetin 3-sophoroside-8-glucoside "Gossypetin 3-sophoroside-8-glucoside [ C33 H40 O23, db=60.58, tgt=, overall=60.58, Lipid ID=LMPK12113182, METLIN ID=51594 ]" "(843.1626, 733.3624)(844.15045, 305.5875)(827.1891, 5093.11)(828.1915, 2451.3774)(829.2002, 1210.2087)" Gossypetin 3-sophoroside-8-glucoside FindByFormula + LMPK12113182 804.2012 1.926375 Gossypetin 3-sophoroside-8-glucoside + 1.9449998 "Gossypetin 3-sophoroside-8-glucoside [ C33 H40 O23, db=77.38, tgt=, overall=77.38, Lipid ID=LMPK12113182, METLIN ID=51594 ]" "(1654.3413, 111.38333)(1675.338, 185.25667)(827.18756, 3949.7593)(828.1885, 1954.611)(829.19, 862.7727)(849.1825, 715.63605)(850.1811, 493.1925)" Gossypetin 3-sophoroside-8-glucoside + 1.9449998 FindByFormula + LMPK12113182 826.1746 1.9449998 Goyaglycoside g "Goyaglycoside g [ C43 H70 O14, db=84.96, tgt=, overall=84.96, CAS ID=333333-14-5, HMP ID=HMDB38350, METLIN ID=93070 ]" 333333-14-5 "(1687.9197, 553.455)(833.46906, 54464.96)(834.4717, 22708.244)(835.4709, 6737.62)(836.4748, 2776.5)" Goyaglycoside g FindByFormula HMDB38350 + 832.4583 8.456601 Goyaglycoside h "Goyaglycoside h [ C42 H70 O15, db=88.04, tgt=, overall=88.04, CAS ID=333333-19-0, HMP ID=HMDB37123, METLIN ID=92093 ]" 333333-19-0 "(837.45935, 2377.107)(838.4622, 1236.9846)(839.464, 492.20703)" Goyaglycoside h FindByFormula HMDB37123 + 836.4515 12.769588 Goyaglycoside h + 12.7655 "Goyaglycoside h [ C42 H70 O15, db=86.78, tgt=, overall=86.78, CAS ID=333333-19-0, HMP ID=HMDB37123, METLIN ID=92093 ]" 333333-19-0 "(837.459, 2293.0247)(838.4619, 1192.6459)(839.4644, 488.82333)" Goyaglycoside h + 12.7655 FindByFormula HMDB37123 + 836.4511 12.7655 Gravolenic acid "Gravolenic acid [ C14 H16 O6, db=90.51, tgt=, overall=90.51, CAS ID=13781-46-9, HMP ID=HMDB33884, METLIN ID=89591 ]" 13781-46-9 "(561.1991, 407.99)(281.10266, 4098.6416)(282.10617, 858.92505)(283.10883, 219.435)" Gravolenic acid FindByFormula HMDB33884 + 280.0967 11.853168 Grayanotoxin I "Grayanotoxin I [ C22 H36 O7, db=76.96, tgt=, overall=76.96, CAS ID=4720-09-6, KEGG ID=C09103, METLIN ID=43915 ]" 9/6/4720 "(411.23764, 1252.0654)(412.24152, 344.58923)" Grayanotoxin I FindByFormula - C09103 412.2427 9.737461 GSSG "GSSG [ C20 H32 N6 O12 S2, db=93.67, tgt=, overall=93.67, CAS ID=27025-41-8, Lipid ID=, KEGG ID=C00127, HMP ID=HMDB03337, METLIN ID=45, AGILENTID=29619 ]" 27025-41-8 "(635.14197, 8355.054)(636.1455, 2438.9238)(637.1387, 1550.7913)(638.13605, 524.8383)(673.0953, 2700.086)(674.0952, 902.5444)(675.0887, 860.01324)(657.1224, 3503.5212)(658.12354, 1047.4988)(659.11816, 775.4112)(660.11414, 204.51501)" GSSG FindByFormula HMDB03337 + C00127 634.1345 0.97225 GSSG - 1.0036 "GSSG [ C20 H32 N6 O12 S2, db=88.32, tgt=, overall=88.32, CAS ID=27025-41-8, Lipid ID=, KEGG ID=C00127, HMP ID=HMDB03337, METLIN ID=45, AGILENTID=29619 ]" 27025-41-8 "(611.1468, 1058.638)(612.1491, 258.674)(613.1432, 185.44199)" GSSG - 1.0036 FindByFormula HMDB03337 - C00127 612.1515 1.0036 GSSG + 1.0198126 "GSSG [ C20 H32 N6 O12 S2, db=91.66, tgt=, overall=91.66, CAS ID=27025-41-8, Lipid ID=, KEGG ID=C00127, HMP ID=HMDB03337, METLIN ID=45, AGILENTID=29619 ]" 27025-41-8 "(1263.2634, 215.18)(307.48804, 3714.284)(307.58606, 330.39334)(308.089, 209.94331)(613.16046, 7412.6323)(614.1624, 1948.2687)(615.15704, 1204.36)(616.15857, 608.5125)(651.11395, 4017.8235)(652.11676, 1195.3339)(653.11316, 1322.0918)(654.1079, 256.26)(635.1417, 7250.907)(636.14343, 1951.7162)(637.14166, 1326.1901)(638.13806, 710.61804)" GSSG + 1.0198126 FindByFormula HMDB03337 + C00127 612.1528 1.0198126 GSSG + 1.0392 "GSSG [ C20 H32 N6 O12 S2, db=98.25, tgt=, overall=98.25, CAS ID=27025-41-8, Lipid ID=, KEGG ID=C00127, HMP ID=HMDB03337, METLIN ID=45, AGILENTID=29619 ]" 27025-41-8 "(307.2874, 1604.6879)(307.5821, 460.2125)(308.0817, 386.75)(613.16034, 9064.352)(614.16284, 2366.1147)(615.1585, 1419.5039)(616.1487, 235.81)(651.1116, 5447.871)(652.1122, 1523.8522)(653.11017, 1377.1655)(654.1103, 508.28333)(635.14136, 8874.748)(636.1396, 2344.7734)(637.13666, 1661.37)(638.1437, 180.66)" GSSG + 1.0392 FindByFormula HMDB03337 + C00127 612.1526 1.0392 GSSG + 1.0596001 "GSSG [ C20 H32 N6 O12 S2, db=95.62, tgt=, overall=95.62, CAS ID=27025-41-8, Lipid ID=, KEGG ID=C00127, HMP ID=HMDB03337, METLIN ID=45, AGILENTID=29619 ]" 27025-41-8 "(613.1598, 10783.386)(614.163, 2664.45)(615.1571, 1609.97)(635.14197, 8431.057)(636.1453, 2237.3699)(637.1398, 1437.7175)(307.08554, 1472.93)(308.09058, 396.55002)" GSSG + 1.0596001 FindByFormula HMDB03337 + C00127 306.0764 1.0596001 Guanine "Guanine [ C5 H5 N5 O, db=88.37, tgt=, overall=88.37, CAS ID=73-40-5, Lipid ID=, KEGG ID=C00242, HMP ID=HMDB00132, METLIN ID=315, AGILENTID=5907 ]" 73-40-5 "(325.08685, 1416.41)(152.0572, 24762.33)(153.05954, 2743.9133)(154.06194, 1141.93)(190.01265, 9001.255)(191.01236, 266.685)(174.03947, 6921.0234)(175.04251, 1029.735)" Guanine FindByFormula HMDB00132 + C00242 151.0499 1.085 Guanosine + 1.2448636 "Guanosine [ C10 H13 N5 O5, mfg=46.05, db=45.94, tgt=, overall=45.99, CAS ID=118-00-3, Lipid ID=, KEGG ID=C00387, HMP ID=HMDB00133, METLIN ID=87, AGILENTID=208 ]" 118-00-3 "(567.1803, 318.27374)(605.21155, 748.442)(606.39185, 581.10004)(607.1544, 585.485)(589.16943, 4474.799)(590.1682, 1793.1067)(591.15393, 698.07404)(284.10022, 8000.2017)(285.10287, 1105.1981)(286.1032, 338.41748)(287.0876, 58.22)(322.05634, 20776.408)(323.0579, 2110.9084)(324.05478, 1539.4985)(325.06003, 328.29)(306.08157, 41159.844)" Guanosine + 1.2448636 FindByFormula HMDB00133 + C00387 283.0934 1.2448636 Gyrocarpine "Gyrocarpine [ C37 H40 N2 O6, db=60.21, tgt=, overall=60.21, CAS ID=102487-16-1, KEGG ID=C09458, METLIN ID=67716 ]" 102487-16-1 "(316.14536, 2815.75)(316.64545, 843.254)(631.28046, 10855.924)(632.2849, 4257.326)" Gyrocarpine FindByFormula + C09458 630.2786 12.0976 Gyrocarpine + 10.5945 "Gyrocarpine [ C37 H40 N2 O6, db=57.55, tgt=, overall=57.55, CAS ID=102487-16-1, KEGG ID=C09458, METLIN ID=67716 ]" 102487-16-1 "(650.2532, 393.92)(650.7699, 308.07)(631.2792, 1862.32)(632.2852, 876.45)" Gyrocarpine + 10.5945 FindByFormula + C09458 630.2683 10.5945 Halofenozide "Halofenozide [ C18 H19 Cl N2 O2, db=54.52, tgt=, overall=54.52, CAS ID=112226-61-6, KEGG ID=C18791, METLIN ID=72560 ]" 112226-61-6 "(329.10748, 2908.0598)(330.1095, 606.5775)" Halofenozide FindByFormula - C18791 330.1142 8.47375 Halopemide "Halopemide [ C21 H22 Cl F N4 O2, db=60.77, tgt=, overall=60.77, CAS ID=59831-65-1, METLIN ID=45490 ]" 59831-65-1 "(915.1986, 323.29498)(916.1996, 235.11002)(899.2303, 484.475)(900.22217, 244.68666)(439.1289, 7435.4834)(440.13284, 1683.3457)(441.1346, 418.37445)(461.1102, 4263.9917)(462.1143, 1029.6393)(463.11264, 233.68)" Halopemide FindByFormula + 438.1229 10.1050005 HC Toxin "HC Toxin [ C21 H32 N4 O6, db=95.57, tgt=, overall=95.57, CAS ID=83209-65-8, KEGG ID=C15676, METLIN ID=64768 ]" 83209-65-8 "(873.4597, 406.99)(437.23975, 41104.496)(438.2427, 8755.539)(439.24088, 1644.6605)(440.238, 733.37)" HC Toxin FindByFormula + C15676 436.2299 7.568706 HC Toxin + 16.7842 "HC Toxin [ C21 H32 N4 O6, db=63.62, tgt=, overall=63.62, CAS ID=83209-65-8, KEGG ID=C15676, METLIN ID=64768 ]" 83209-65-8 "(459.2204, 3338.6821)(460.2199, 996.85)" HC Toxin + 16.7842 FindByFormula + C15676 458.2143 16.7842 HC Toxin + 16.793165 "HC Toxin [ C21 H32 N4 O6, db=61.73, tgt=, overall=61.73, CAS ID=83209-65-8, KEGG ID=C15676, METLIN ID=64768 ]" 83209-65-8 "(459.2208, 2655.7383)(460.2205, 878.1316)" HC Toxin + 16.793165 FindByFormula + C15676 458.2112 16.793165 Hebevinoside I "Hebevinoside I [ C44 H72 O13, db=83.27, tgt=, overall=83.27, CAS ID=87396-30-3, HMP ID=HMDB35312, METLIN ID=90615 ]" 87396-30-3 "(831.48535, 28133.188)(832.4886, 13164.555)(833.4879, 6006.9365)(834.4906, 1985.5138)(835.49066, 627.3905)" Hebevinoside I FindByFormula HMDB35312 + 830.4787 16.736822 Hebevinoside XI "Hebevinoside XI [ C46 H74 O14, db=63.96, tgt=, overall=63.96, CAS ID=101365-13-3, HMP ID=HMDB34601, METLIN ID=90064 ]" 101365-13-3 "(849.501, 2788.423)(850.50323, 1370.7799)" Hebevinoside XI FindByFormula HMDB34601 - 850.5049 6.911 Hebevinoside XIII "Hebevinoside XIII [ C49 H76 O16, db=91.38, tgt=, overall=91.38, CAS ID=138995-52-5, HMP ID=HMDB34603, METLIN ID=90066 ]" 138995-52-5 "(921.5226, 40957.066)(922.52423, 19311.646)(923.5247, 6255.9927)(924.5244, 2342.29)(946.8013, 465.85336)(946.4865, 463.41)(947.4791, 183.04)" Hebevinoside XIII FindByFormula HMDB34603 + 920.5182 8.549875 Heliotrine "Heliotrine [ C16 H27 N O5, db=56.20, tgt=, overall=56.20, CAS ID=303-33-3, KEGG ID=C10324, METLIN ID=68246 ]" 303-33-3 "(627.38367, 938.765)(649.36523, 1066.835)(650.35974, 294.66498)(314.19727, 1155.21)(315.1968, 378.28998)" Heliotrine FindByFormula + C10324 313.1879 2.776 Heme C "Heme C [ C40 H46 Fe N6 O8 S2, db=53.61, tgt=, overall=53.61, KEGG ID=C15817, METLIN ID=71100 ]" "(857.2261, 669.445)(858.2324, 356.075)" Heme C FindByFormula + C15817 856.2183 21.064 Heptadecanoyl Ethanolamide "Heptadecanoyl Ethanolamide [ C19 H39 N O2, db=76.15, tgt=, overall=76.15, Lipid ID=LMFA08040049, METLIN ID=3717 ]" "(314.30573, 2568.272)(315.3087, 733.254)" Heptadecanoyl Ethanolamide FindByFormula + LMFA08040049 313.2996 13.4168 Heptadecanoyl Ethanolamide + 13.325999 "Heptadecanoyl Ethanolamide [ C19 H39 N O2, db=66.49, tgt=, overall=66.49, Lipid ID=LMFA08040049, METLIN ID=3717 ]" "(314.3056, 1499.9268)(315.30804, 512.63666)" Heptadecanoyl Ethanolamide + 13.325999 FindByFormula + LMFA08040049 313.2997 13.325999 Heptadecanoyl Ethanolamide + 13.712001 "Heptadecanoyl Ethanolamide [ C19 H39 N O2, mfg=88.99, db=88.98, tgt=, overall=88.99, Lipid ID=LMFA08040049, METLIN ID=3717 ]" "(314.30536, 3726.01)(315.3078, 1071.0033)(316.3149, 173.09)" Heptadecanoyl Ethanolamide + 13.712001 FindByFormula + LMFA08040049 313.2989 13.712001 Heptylene-bis(tacrine) "Heptylene-bis(tacrine) [ C33 H40 N4, db=10.60, tgt=, overall=10.60, CAS ID=1049979-32-9, METLIN ID=24066 ]" 1049979-32-9 "(1029.6224, 2740.4514)(1030.1288, 795.5415)(1030.6249, 1506.7534)(1031.1362, 551.635)(1031.6262, 1074.0)(1032.1204, 750.67505)(515.31647, 27734.16)(515.8182, 15757.854)(516.3183, 5674.561)(516.81696, 1370.4827)(1029.6257, 21698.268)(1030.629, 11909.854)(1031.6321, 5056.682)(1032.6298, 2593.56)(526.3054, 10168.252)(526.8087, 5890.523)(527.3083, 2212.4592)(527.806, 904.21094)" Heptylene-bis(tacrine) FindByFormula + 1028.6208 14.790286 Heptylene-bis(tacrine) + 14.79693 "Heptylene-bis(tacrine) [ C33 H40 N4, db=10.72, tgt=, overall=10.72, CAS ID=1049979-32-9, METLIN ID=24066 ]" 1049979-32-9 "(1029.6167, 1226.845)(1030.1322, 750.815)(1030.6324, 876.05)(1031.1299, 183.65)(1031.6176, 320.49)(515.3157, 29926.094)(515.8173, 17079.594)(516.3176, 6148.566)(516.8155, 1355.0525)(1029.623, 17995.889)(1030.6279, 11102.235)(1031.6296, 4814.57)(1032.6278, 4304.28)(1033.6198, 1339.81)(526.3029, 8193.74)(526.8069, 4643.022)(527.3084, 1911.4366)(527.8044, 1058.8667)" Heptylene-bis(tacrine) + 14.79693 FindByFormula + 1028.6165 14.79693 Hericenone D "Hericenone D [ C37 H58 O6, db=79.68, tgt=, overall=79.68, CAS ID=137592-04-2, HMP ID=HMDB39139, METLIN ID=93736 ]" 137592-04-2 "(621.41516, 2404.9275)(622.41846, 890.06256)(623.4172, 361.315)" Hericenone D FindByFormula HMDB39139 + 620.4042 15.15325 Heteroflavanone A "Heteroflavanone A [ C19 H20 O7, db=93.12, tgt=, overall=93.12, Lipid ID=LMPK12140534, METLIN ID=53016 ]" "(359.11316, 6620.475)(360.1166, 1172.29)(361.1176, 429.96)" Heteroflavanone A FindByFormula - LMPK12140534 360.1209 10.9495 Heterophyllin "Heterophyllin [ C30 H32 O7, mfg=37.98, db=76.73, tgt=, overall=38.36, Lipid ID=LMPK12110929, METLIN ID=49357 ]" "(489.24194, 107.775)(527.20483, 2514.3926)(528.20776, 719.505)(511.2216, 63.11)" Heterophyllin FindByFormula + LMPK12110929 488.2412 16.994751 His Arg Ile "His Arg Ile [ C18 H32 N8 O4, db=53.53, tgt=, overall=53.53, METLIN ID=7641 ]" "(447.24237, 1602.3699)(448.2434, 619.07)(469.2331, 104.74)" His Arg Ile FindByFormula + 446.2343 12.6310005 His Gln Ala "His Gln Ala [ C14 H22 N6 O5, db=52.16, tgt=, overall=52.16, METLIN ID=20595 ]" "(377.1542, 11850.09)(378.1563, 3068.9949)(379.15155, 4246.37)" His Gln Ala FindByFormula + 376.1454 10.461 His Phe Trp "His Phe Trp [ C26 H28 N6 O4, db=66.34, tgt=, overall=66.34, METLIN ID=15877 ]" "(511.20667, 2244.695)(512.2096, 496.815)(513.2194, 347.37)" His Phe Trp FindByFormula + 510.2 13.057 His Pro Lys "His Pro Lys [ C17 H28 N6 O4, db=82.09, tgt=, overall=82.09, METLIN ID=18563 ]" "(379.21045, 2203.25)(380.21402, 503.9966)" His Pro Lys FindByFormula - 380.2173 9.802167 His Val Arg "His Val Arg [ C17 H30 N8 O4, db=32.65, tgt=, overall=32.65, METLIN ID=19467 ]" "(389.2683, 1097.525)(427.2165, 891.99)(411.2479, 2153.72)(412.259, 731.51)" His Val Arg FindByFormula + 388.2585 12.962 His Val Arg - 14.795 "His Val Arg [ C17 H30 N8 O4, db=82.42, tgt=, overall=82.42, METLIN ID=19467 ]" "(409.2312, 1778.445)(410.2328, 403.505)" His Val Arg - 14.795 FindByFormula - 410.2383 14.795 His Val Arg + 14.538 "His Val Arg [ C17 H30 N8 O4, db=81.80, tgt=, overall=81.80, METLIN ID=19467 ]" "(433.2271, 6042.625)(434.22696, 1390.7899)(435.2283, 397.135)" His Val Arg + 14.538 FindByFormula + 432.2193 14.538 Histidine "Histidine [ C6 H9 N3 O2, mfg=84.22, db=84.22, tgt=, overall=84.22, CAS ID=4998-57-6, KEGG ID=C00768, METLIN ID=65529 ]" 4998-57-6 "(156.07683, 4622.161)(157.0801, 476.8757)(194.03262, 694.88)(178.05849, 1680.9067)" Histidine FindByFormula + C00768 155.0694 0.7918572 His-TyrMe-OH "His-TyrMe-OH [ C22 H22 N4 O7, db=58.71, tgt=, overall=58.71, METLIN ID=65096 ]" "(455.15613, 1412.0701)(456.15555, 636.42)(457.15936, 520.98)(493.11328, 839.62006)(494.1167, 316.69998)(495.12244, 157.325)" His-TyrMe-OH FindByFormula + 454.1501 12.489333 Hodgkinsine "Hodgkinsine [ C33 H38 N6, db=65.69, tgt=, overall=65.69, CAS ID=18210-71-4, KEGG ID=C09211, METLIN ID=67520 ]" 18210-71-4 "(519.3251, 207226.92)(520.32855, 36375.62)(521.33093, 4958.5757)" Hodgkinsine FindByFormula + C09211 518.3173 14.782344 Homocysteic acid "Homocysteic acid [ C4 H9 N O5 S, mfg=71.89, db=71.89, tgt=, overall=71.89, CAS ID=14857-77-3, KEGG ID=C16511, HMP ID=HMDB02205, METLIN ID=6545 ]" 14857-77-3 "(184.02802, 7158.949)(185.03172, 576.0223)" Homocysteic acid FindByFormula HMDB02205 + C16511 183.0211 1.9917779 Honyucitrin "Honyucitrin [ C25 H26 O5, db=66.88, tgt=, overall=66.88, Lipid ID=LMPK12110410, METLIN ID=48841 ]" "(405.1725, 1261.905)(406.1744, 441.93)" Honyucitrin FindByFormula - LMPK12110410 406.1793 21.5165 HoPhe-HoPhe-OH "HoPhe-HoPhe-OH [ C25 H24 N2 O6, db=80.26, tgt=, overall=80.26, METLIN ID=65354 ]" "(447.1583, 3485.0515)(448.1612, 790.164)(449.1578, 251.90652)" HoPhe-HoPhe-OH FindByFormula - 448.1624 15.3803 HoPhe-Phe4Cl-OH "HoPhe-Phe4Cl-OH [ C24 H21 Cl N2 O6, db=56.14, tgt=, overall=56.14, METLIN ID=64971 ]" "(447.1338, 1096.155)(448.13483, 368.2325)(469.11676, 1107.2488)(470.11786, 334.1314)" HoPhe-Phe4Cl-OH FindByFormula + 446.1261 4.3792 Hovenidulcigenin A "Hovenidulcigenin A [ C32 H48 O7, db=80.12, tgt=, overall=80.12, CAS ID=171499-81-3, HMP ID=HMDB41027, METLIN ID=95461 ]" 171499-81-3 "(284.1652, 464.0516)(284.66425, 109.554214)(567.3286, 104319.695)(568.3317, 35243.273)(569.3298, 15223.717)(570.3311, 3457.5986)(571.3324, 749.4277)(572.3315, 156.7575)" Hovenidulcigenin A FindByFormula HMDB41027 + 566.32 17.325129 Hovenidulcigenin A + 17.315714 "Hovenidulcigenin A [ C32 H48 O7, db=72.63, tgt=, overall=72.63, CAS ID=171499-81-3, HMP ID=HMDB41027, METLIN ID=95461 ]" 171499-81-3 "(567.32715, 98989.25)(568.3302, 33619.293)(569.3284, 14469.019)" Hovenidulcigenin A + 17.315714 FindByFormula HMDB41027 + 566.3177 17.315714 Hovenidulcigenin A + 17.326445 "Hovenidulcigenin A [ C32 H48 O7, db=76.30, tgt=, overall=76.30, CAS ID=171499-81-3, HMP ID=HMDB41027, METLIN ID=95461 ]" 171499-81-3 "(284.16415, 1053.68)(284.66858, 158.155)(567.3288, 104195.836)(568.33185, 35136.965)(569.32996, 15211.402)(570.32904, 6899.473)(571.3284, 1465.2134)" Hovenidulcigenin A + 17.326445 FindByFormula HMDB41027 + 566.321 17.326445 Hovenidulcigenin A + 17.327639 "Hovenidulcigenin A [ C32 H48 O7, db=81.59, tgt=, overall=81.59, CAS ID=171499-81-3, HMP ID=HMDB41027, METLIN ID=95461 ]" 171499-81-3 "(529.37177, 2653.066)(530.37524, 908.1766)(531.3766, 265.97217)(567.32904, 95993.48)(568.3321, 32299.94)(569.33026, 13923.625)(570.3313, 3531.2507)(571.3326, 920.08)" Hovenidulcigenin A + 17.327639 FindByFormula HMDB41027 + 528.3655 17.327639 Hovenidulcigenin A + 17.32861 "Hovenidulcigenin A [ C32 H48 O7, db=80.38, tgt=, overall=80.38, CAS ID=171499-81-3, HMP ID=HMDB41027, METLIN ID=95461 ]" 171499-81-3 "(529.3718, 2910.884)(530.3743, 1012.99493)(531.3764, 250.68297)(567.32874, 102539.12)(568.33185, 34611.41)(569.3299, 14956.134)(570.331, 3763.7046)(571.33234, 864.743)" Hovenidulcigenin A + 17.32861 FindByFormula HMDB41027 + 528.3663 17.32861 Hovenidulcigenin A + 17.6565 "Hovenidulcigenin A [ C32 H48 O7, db=75.53, tgt=, overall=75.53, CAS ID=171499-81-3, HMP ID=HMDB41027, METLIN ID=95461 ]" 171499-81-3 "(567.32825, 23105.535)(568.33136, 7507.755)(569.3277, 3282.705)(570.3278, 537.67)(571.3407, 147.07)" Hovenidulcigenin A + 17.6565 FindByFormula HMDB41027 + 566.3172 17.6565 Humilinolide A "Humilinolide A [ C31 H40 O11, db=59.09, tgt=, overall=59.09, CAS ID=152110-04-8, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29115 ]" 152110-04-8 "(611.2458, 2104.8665)(612.2522, 1011.98663)" Humilinolide A FindByFormula + 610.2398 16.496 Hydrocortisone "Hydrocortisone [ C21 H30 O5, db=72.80, tgt=, overall=72.80, CAS ID=50-23-7, Lipid ID=LMST02030001, KEGG ID=C00735, HMP ID=HMDB00063, METLIN ID=272, AGILENTID=4210 ]" 50-23-7 "(363.21695, 1589.9921)(364.21948, 497.96402)" Hydrocortisone FindByFormula HMDB00063 + C00735 LMST02030001 362.2111 9.544001 Hydroxyergometrine glucoronide M3 "Hydroxyergometrine glucoronide M3 [ C25 H31 N3 O9, mfg=68.89, db=68.61, tgt=, overall=68.75, CAS ID=, METLIN ID=2568 ]" "(518.71204, 1516.9349)(519.50134, 420.35425)(520.2041, 1793.7734)(521.21014, 644.01)(522.2088, 293.92)(556.17065, 3277.3213)(557.17065, 1375.3188)(558.1649, 709.92554)(541.302, 1440.6333)(542.047, 439.9086)(542.58875, 1350.4)(543.1912, 470.58667)(544.20337, 339.205)" Hydroxyergometrine glucoronide M3 FindByFormula + 517.207 1.9211112 ibopamine "ibopamine [ C17 H25 N O4, db=65.75, tgt=, overall=65.75, CAS ID=66195-31-1, HMP ID=HMDB41906, METLIN ID=96171 ]" 66195-31-1 "(308.18518, 5219.984)(309.1906, 1541.378)(330.16843, 1033.5)" ibopamine FindByFormula HMDB41906 + 307.1776 9.0164 "Idebenone Metabolite (?-D-Glucopyranosiduronic acid, 4-hydroxy-3-(10-hydroxydecyl)-5,6-dimethoxy-" "Idebenone Metabolite (?-D-Glucopyranosiduronic acid, 4-hydroxy-3-(10-hydroxydecyl)-5,6-dimethoxy- [ C25 H40 O11, db=69.90, tgt=, overall=69.90, CAS ID=756791-18-1, METLIN ID=770 ]" 756791-18-1 "(515.2492, 1672.48)(516.24927, 463.44336)" "Idebenone Metabolite (?-D-Glucopyranosiduronic acid, 4-hydroxy-3-(10-hydroxydecyl)-5,6-dimethoxy-" FindByFormula - 516.2519 1.8066667 Ile Ala "Ile Ala [ C9 H18 N2 O3, db=76.03, tgt=, overall=76.03, METLIN ID=23864 ]" "(203.13953, 8139.2104)(204.13544, 1488.7133)(205.14131, 169.33667)(225.1216, 3165.17)(226.1192, 669.29)(227.1118, 41.11)" Ile Ala FindByFormula + 202.131 2.4886665 Ile Ala - 1.379 "Ile Ala [ C9 H18 N2 O3, db=83.02, tgt=, overall=83.02, METLIN ID=23864 ]" "(201.12515, 3224.875)(202.12704, 397.925)" Ile Ala - 1.379 FindByFormula - 202.1322 1.379 Ile Ala + 1.79825 "Ile Ala [ C9 H18 N2 O3, db=73.84, tgt=, overall=73.84, METLIN ID=23864 ]" "(225.12163, 4708.153)(226.12215, 736.0825)(247.10515, 820.74335)" Ile Ala + 1.79825 FindByFormula + 224.1143 1.79825 Ile Ala + 1.8765 "Ile Ala [ C9 H18 N2 O3, db=77.47, tgt=, overall=77.47, METLIN ID=23864 ]" "(225.12189, 6204.37)(226.12439, 958.14)" Ile Ala + 1.8765 FindByFormula + 224.1147 1.8765 Ile Ala + 2.308 "Ile Ala [ C9 H18 N2 O3, db=68.00, tgt=, overall=68.00, METLIN ID=23864 ]" "(225.1214, 2547.0)(226.11874, 428.965)" Ile Ala + 2.308 FindByFormula + 224.1131 2.308 Ile Ala + 2.4989998 "Ile Ala [ C9 H18 N2 O3, mfg=79.86, db=79.86, tgt=, overall=79.86, METLIN ID=23864 ]" "(203.13927, 8266.04)(204.1371, 1393.7833)(205.1483, 36.66)(225.1192, 130.42)" Ile Ala + 2.4989998 FindByFormula + 202.1317 2.4989998 Ile Ala Val "Ile Ala Val [ C14 H27 N3 O4, db=94.81, tgt=, overall=94.81, METLIN ID=19773 ]" "(625.3928, 905.875)(626.39575, 350.745)(302.20782, 25118.027)(303.21017, 4725.15)(304.21164, 1402.8899)(324.18988, 20502.594)(325.19525, 3375.725)(326.1806, 1137.24)" Ile Ala Val FindByFormula + 301.2004 7.205 Ile Ala Val + 7.211 "Ile Ala Val [ C14 H27 N3 O4, db=73.85, tgt=, overall=73.85, METLIN ID=19773 ]" "(324.1897, 13112.644)(325.1958, 2626.8667)(346.1753, 591.45)" Ile Ala Val + 7.211 FindByFormula + 323.1832 7.211 Ile Ala Val + 7.2124 "Ile Ala Val [ C14 H27 N3 O4, db=95.33, tgt=, overall=95.33, METLIN ID=19773 ]" "(302.2077, 18028.717)(303.2105, 3356.3462)(304.2109, 970.155)(305.2118, 284.22)(324.18964, 14733.586)(325.1931, 2549.498)(326.18906, 577.75665)" Ile Ala Val + 7.2124 FindByFormula + 301.2002 7.2124 Ile Arg "Ile Arg [ C12 H25 N5 O3, db=81.76, tgt=, overall=81.76, METLIN ID=23986 ]" "(613.3509, 428.95)(288.20355, 27209.303)(289.20334, 4447.926)(290.19446, 1151.01)(326.1557, 474.285)" Ile Arg FindByFormula + 287.197 1.1784 Ile Arg Ile "Ile Arg Ile [ C18 H36 N6 O4, db=89.03, tgt=, overall=89.03, METLIN ID=16206 ]" "(401.2865, 20038.236)(402.28775, 4566.1934)(403.28638, 1166.52)" Ile Arg Ile FindByFormula + 400.2799 6.948667 Ile Arg Ile + 15.435833 "Ile Arg Ile [ C18 H36 N6 O4, db=77.67, tgt=, overall=77.67, METLIN ID=16206 ]" "(401.28683, 3087.3733)(402.29053, 857.4366)" Ile Arg Ile + 15.435833 FindByFormula + 400.2806 15.435833 Ile Arg Ile + 7.021 "Ile Arg Ile [ C18 H36 N6 O4, db=76.62, tgt=, overall=76.62, METLIN ID=16206 ]" "(401.28543, 10415.161)(402.28867, 2585.71)" Ile Arg Ile + 7.021 FindByFormula + 400.2794 7.021 Ile Glu "Ile Glu [ C11 H20 N2 O5, mfg=77.57, db=77.56, tgt=, overall=77.57, METLIN ID=23867 ]" "(261.14444, 2452.4866)(262.15128, 322.6)(283.12756, 498.77)" Ile Glu FindByFormula + 260.1372 2.7123334 Ile Glu + 2.2129998 "Ile Glu [ C11 H20 N2 O5, db=86.12, tgt=, overall=86.12, METLIN ID=23867 ]" "(261.14484, 3537.97)(262.1478, 487.815)(283.12793, 746.54004)" Ile Glu + 2.2129998 FindByFormula + 260.1382 2.2129998 Ile Glu + 2.3045 "Ile Glu [ C11 H20 N2 O5, mfg=96.77, db=96.77, tgt=, overall=96.77, METLIN ID=23867 ]" "(261.14478, 2144.42)(262.14825, 232.975)(263.16, 21.75)(283.1282, 336.225)(284.1271, 134.13)" Ile Glu + 2.3045 FindByFormula + 260.1382 2.3045 Ile Glu + 4.1292005 "Ile Glu [ C11 H20 N2 O5, db=80.82, tgt=, overall=80.82, METLIN ID=23867 ]" "(261.14474, 1410.3741)(262.14642, 230.86198)(283.12704, 445.92)" Ile Glu + 4.1292005 FindByFormula + 260.1373 4.1292005 Ile Glu + 5.199167 "Ile Glu [ C11 H20 N2 O5, mfg=76.91, db=76.85, tgt=, overall=76.88, METLIN ID=23867 ]" "(261.14426, 2514.8992)(262.14664, 479.77084)(283.12692, 922.2249)" Ile Glu + 5.199167 FindByFormula + 260.1373 5.199167 Ile Glu + 5.221667 "Ile Glu [ C11 H20 N2 O5, db=77.60, tgt=, overall=77.60, METLIN ID=23867 ]" "(261.1445, 2569.91)(262.14685, 485.79837)(283.12766, 803.39825)" Ile Glu + 5.221667 FindByFormula + 260.1378 5.221667 Ile Glu + 5.2343335 "Ile Glu [ C11 H20 N2 O5, db=73.70, tgt=, overall=73.70, METLIN ID=23867 ]" "(261.14453, 2320.0466)(262.1472, 486.80002)(283.1286, 767.15)" Ile Glu + 5.2343335 FindByFormula + 260.1369 5.2343335 Ile Gly "Ile Gly [ C8 H16 N2 O3, mfg=94.62, db=94.62, tgt=, overall=94.62, METLIN ID=23807 ]" "(189.12386, 6992.7603)(190.1267, 784.8562)(191.1203, 178.615)(227.07794, 117.64)(211.10536, 1555.3113)(212.10474, 165.63333)" Ile Gly FindByFormula + 188.1161 2.515 Ile Gly + 0.96325004 "Ile Gly [ C8 H16 N2 O3, db=54.95, tgt=, overall=54.95, METLIN ID=23807 ]" "(211.10547, 2009.4425)(212.10345, 423.8225)" Ile Gly + 0.96325004 FindByFormula + 210.0975 0.96325004 Ile Gly + 0.97 "Ile Gly [ C8 H16 N2 O3, db=54.19, tgt=, overall=54.19, METLIN ID=23807 ]" "(211.1057, 2366.6099)(212.1022, 505.66498)" Ile Gly + 0.97 FindByFormula + 210.0973 0.97 Ile Gly + 2.4407496 "Ile Gly [ C8 H16 N2 O3, db=83.52, tgt=, overall=83.52, METLIN ID=23807 ]" "(189.1239, 10698.72)(190.12762, 1221.2837)(211.10594, 2664.8774)(212.10167, 239.03667)" Ile Gly + 2.4407496 FindByFormula + 188.117 2.4407496 Ile Gly + 2.468 "Ile Gly [ C8 H16 N2 O3, db=85.27, tgt=, overall=85.27, METLIN ID=23807 ]" "(189.1239, 13203.596)(190.12726, 1409.14)(211.1061, 4286.61)" Ile Gly + 2.468 FindByFormula + 188.1162 2.468 Ile Gly + 2.5097692 "Ile Gly [ C8 H16 N2 O3, db=97.26, tgt=, overall=97.26, METLIN ID=23807 ]" "(189.12376, 8294.18)(190.1265, 947.01465)(191.12515, 204.195)(227.0782, 175.82)(211.10542, 1910.9202)(212.0971, 163.49)" Ile Gly + 2.5097692 FindByFormula + 188.1164 2.5097692 Ile Gly + 2.5664213 "Ile Gly [ C8 H16 N2 O3, mfg=94.54, db=94.53, tgt=, overall=94.54, METLIN ID=23807 ]" "(189.1239, 6374.543)(190.12611, 680.03424)(191.12775, 256.9)(227.0802, 98.035)(211.1054, 1436.2224)(212.10657, 184.21715)" Ile Gly + 2.5664213 FindByFormula + 188.1169 2.5664213 Ile Gly Arg "Ile Gly Arg [ C14 H28 N6 O4, db=51.05, tgt=, overall=51.05, METLIN ID=19906 ]" "(345.22516, 3559.31)(346.21765, 1050.42)" Ile Gly Arg FindByFormula + 344.2177 1.493 Ile Leu Lys "Ile Leu Lys [ C18 H36 N4 O4, db=92.25, tgt=, overall=92.25, METLIN ID=16802 ]" "(373.2798, 5750.4683)(374.28235, 1452.1934)(375.28363, 242.225)(411.2416, 814.53)(395.25977, 403.28)" Ile Leu Lys FindByFormula + 372.273 6.899 Ile Leu Lys + 6.7245 "Ile Leu Lys [ C18 H36 N4 O4, db=92.09, tgt=, overall=92.09, METLIN ID=16802 ]" "(373.28217, 7130.8247)(374.2848, 1817.13)(375.28555, 392.07)(395.264, 475.93)" Ile Leu Lys + 6.7245 FindByFormula + 372.2748 6.7245 Ile Leu Lys + 6.9955564 "Ile Leu Lys [ C18 H36 N4 O4, db=77.36, tgt=, overall=77.36, METLIN ID=16802 ]" "(373.27985, 5319.5366)(374.28195, 1306.2489)(395.26358, 470.78003)" Ile Leu Lys + 6.9955564 FindByFormula + 372.2724 6.9955564 Ile Leu Lys + 7.0082498 "Ile Leu Lys [ C18 H36 N4 O4, db=74.68, tgt=, overall=74.68, METLIN ID=16802 ]" "(373.2797, 5272.7734)(374.28128, 1284.3336)(395.2636, 494.61)" Ile Leu Lys + 7.0082498 FindByFormula + 372.2743 7.0082498 Ile Lys "Ile Lys [ C12 H25 N3 O3, db=91.09, tgt=, overall=91.09, METLIN ID=23964 ]" "(260.19635, 13520.788)(261.19852, 2055.4526)(262.1967, 598.75)(298.15198, 632.1433)(282.17908, 1805.5499)(283.18243, 429.7667)" Ile Lys FindByFormula + 259.1906 1.13375 Ile Lys + 1.136 "Ile Lys [ C12 H25 N3 O3, mfg=93.30, db=93.29, tgt=, overall=93.29, METLIN ID=23964 ]" "(557.3429, 195.94)(260.19623, 11867.692)(261.19766, 1770.64)(262.20068, 364.44)(282.1769, 3719.44)(283.1715, 426.625)" Ile Lys + 1.136 FindByFormula + 259.1901 1.136 Ile Lys + 1.1624999 "Ile Lys [ C12 H25 N3 O3, db=50.13, tgt=, overall=50.13, METLIN ID=23964 ]" "(282.17935, 1580.24)(283.18445, 603.315)(320.1335, 94.36)" Ile Lys + 1.1624999 FindByFormula + 281.1722 1.1624999 Ile Lys + 1.7866668 "Ile Lys [ C12 H25 N3 O3, db=71.24, tgt=, overall=71.24, METLIN ID=23964 ]" "(260.19577, 2393.1199)(261.20132, 481.08667)" Ile Lys + 1.7866668 FindByFormula + 259.1888 1.7866668 Ile Lys His "Ile Lys His [ C18 H32 N6 O4, db=69.83, tgt=, overall=69.83, METLIN ID=17418 ]" "(395.24176, 1143.865)(396.24475, 369.52002)" Ile Lys His FindByFormula - 396.2487 10.8255005 Ile Met "Ile Met [ C11 H22 N2 O3 S, db=76.13, tgt=, overall=76.13, METLIN ID=24031 ]" "(263.14203, 3691.35)(264.1443, 534.73)(285.122, 473.68)" Ile Met FindByFormula + 262.1346 6.588 Ile Phe "Ile Phe [ C15 H22 N2 O3, db=9.58, tgt=, overall=9.58, METLIN ID=24033 ]" "(279.17096, 10106.276)(279.67337, 3273.1987)(280.17252, 844.94574)(557.32886, 7256.2007)(558.32874, 3026.032)(559.32117, 1085.604)(595.2813, 1420.59)(596.3016, 343.41)(579.31104, 2977.4475)(580.30835, 1633.815)(581.30383, 983.98505)" Ile Phe FindByFormula + 556.3258 1.8255713 Ile Pro Lys "Ile Pro Lys [ C17 H32 N4 O4, db=69.63, tgt=, overall=69.63, METLIN ID=16048 ]" "(357.24982, 25807.926)(358.25198, 5393.86)(359.24985, 3404.9949)(360.24075, 1095.7051)(395.20355, 1620.56)(379.23096, 5643.9053)(380.23114, 1335.23)" Ile Pro Lys FindByFormula + 356.2431 1.1996363 Ile Ser Phe "Ile Ser Phe [ C18 H27 N3 O5, db=80.34, tgt=, overall=80.34, METLIN ID=19703 ]" "(388.18372, 4810.062)(389.1886, 1109.9784)" Ile Ser Phe FindByFormula + 387.1755 11.307332 Ile Thr Lys "Ile Thr Lys [ C16 H32 N4 O5, mfg=95.55, db=95.54, tgt=, overall=95.55, METLIN ID=16503 ]" "(361.2445, 8154.9897)(362.2464, 1701.72)(363.2428, 251.68)" Ile Thr Lys FindByFormula + 360.2372 1.1695001 Ile Thr Lys + 7.3770003 "Ile Thr Lys [ C16 H32 N4 O5, db=57.45, tgt=, overall=57.45, METLIN ID=16503 ]" "(383.2274, 1457.0934)(384.23044, 649.2)" Ile Thr Lys + 7.3770003 FindByFormula + 382.2198 7.3770003 I-Methyl-4-nitro-imidazole "I-Methyl-4-nitro-imidazole [ C4 H5 N3 O2, db=99.24, tgt=, overall=99.24, CAS ID=3034-41-1, KEGG ID=C16621, METLIN ID=1193 ]" 3034-41-1 "(128.04572, 47457.637)(129.04832, 2724.5256)(130.05116, 295.2475)" I-Methyl-4-nitro-imidazole FindByFormula + C16621 127.0385 3.19125 Imidapril "Imidapril [ C20 H27 N3 O6, db=67.65, tgt=, overall=67.65, CAS ID=89371-37-9, KEGG ID=D08068, HMP ID=HMDB41907, METLIN ID=96172 ]" 89371-37-9 "(390.22076, 464.28003)(428.1773, 6269.118)(429.17813, 1382.062)" Imidapril FindByFormula HMDB41907 + D08068 389.2138 1.1158 Imidazoleacetic acid ribotide "Imidazoleacetic acid ribotide [ C10 H15 N2 O9 P, db=98.61, tgt=, overall=98.61, CAS ID=2888-19-9, KEGG ID=C04437, HMP ID=HMDB06032, METLIN ID=58346 ]" 2888-19-9 "(675.0954, 1744.2233)(676.09796, 524.21796)(337.04486, 25239.92)(338.04813, 3080.362)(339.04956, 635.8323)" Imidazoleacetic acid ribotide FindByFormula HMDB06032 - C04437 338.0515 1.2418889 Imperialine "Imperialine [ C27 H43 N O3, db=82.80, tgt=, overall=82.80, CAS ID=61825-98-7, KEGG ID=C10808, METLIN ID=68596 ]" 61825-98-7 "(452.31342, 7112.7197)(453.31396, 2067.08)(454.3175, 780.08)(474.2954, 4836.9634)(475.30103, 1171.6466)(476.29993, 511.195)" Imperialine FindByFormula + C10808 451.3056 16.373001 Imperialine + 8.927334 "Imperialine [ C27 H43 N O3, db=78.98, tgt=, overall=78.98, CAS ID=61825-98-7, KEGG ID=C10808, METLIN ID=68596 ]" 61825-98-7 "(430.32974, 14959.867)(431.3303, 4696.5938)(432.3388, 1230.365)(452.30716, 2068.83)(453.31714, 671.71497)" Imperialine + 8.927334 FindByFormula + C10808 429.3245 8.927334 Indoleacrylic acid "Indoleacrylic acid [ C11 H9 N O2, db=99.17, tgt=, overall=99.17, CAS ID=1204-06-4, HMP ID=HMDB00734, METLIN ID=5702 ]" 1204-06-4 "(188.071, 42908.906)(189.07416, 5468.9277)(190.07555, 657.16504)" Indoleacrylic acid FindByFormula HMDB00734 + 187.0637 4.438187 Indoleacrylic acid + 4.438187 "Indoleacrylic acid [ C11 H9 N O2, db=99.17, tgt=, overall=99.17, CAS ID=1204-06-4, HMP ID=HMDB00734, METLIN ID=5702 ]" 1204-06-4 "(188.071, 42908.906)(189.07416, 5468.9277)(190.07555, 657.16504)" Indoleacrylic acid + 4.438187 FindByFormula HMDB00734 + 187.0635 4.438187 Indoleacrylic acid + 4.438187 :1 "Indoleacrylic acid [ C11 H9 N O2, db=99.17, tgt=, overall=99.17, CAS ID=1204-06-4, HMP ID=HMDB00734, METLIN ID=5702 ]" 1204-06-4 "(188.071, 42908.906)(189.07416, 5468.9277)(190.07555, 657.16504)" Indoleacrylic acid + 4.438187 :1 FindByFormula HMDB00734 + 187.0641 4.438187 Inuline "Inuline [ C32 H46 N2 O8, db=63.68, tgt=, overall=63.68, CAS ID=22413-78-1, KEGG ID=C08659, METLIN ID=67094 ]" 22413-78-1 "(609.3133, 3780.2266)(610.3149, 1579.3467)" Inuline FindByFormula + C08659 608.3046 10.984 Iopamidol "Iopamidol [ C17 H22 I3 N3 O8, db=61.05, tgt=, overall=61.05, CAS ID=, METLIN ID=43212 ]" "(799.8415, 2251.684)(800.8422, 683.748)" Iopamidol FindByFormula + 798.8337 1.4205999 Iopromide "Iopromide [ C18 H24 I3 N3 O8, db=98.74, tgt=, overall=98.74, CAS ID=, METLIN ID=43215 ]" "(813.86005, 222075.38)(814.8624, 47714.137)(815.86365, 9069.838)(816.86206, 1377.9551)" Iopromide FindByFormula + 812.8515 4.6835713 Iopromide - 4.043667 "Iopromide [ C18 H24 I3 N3 O8, db=94.95, tgt=, overall=94.95, CAS ID=, METLIN ID=43215 ]" "(825.8279, 73.65)(789.86084, 24746.742)(790.8625, 5110.4033)(791.865, 974.23334)" Iopromide - 4.043667 FindByFormula - 790.8724 4.043667 Iopromide + 4.0295 "Iopromide [ C18 H24 I3 N3 O8, db=95.32, tgt=, overall=95.32, CAS ID=, METLIN ID=43215 ]" "(1620.7052, 4166.57)(1621.7067, 2249.05)(1622.7316, 871.51)(1623.7178, 482.99)(791.87775, 9798.983)(792.8793, 2313.25)(793.8767, 398.09)(829.8335, 58136.176)(830.8364, 12658.67)(831.82544, 5878.6196)(832.8371, 2071.53)(813.8606, 259934.84)(814.8618, 54672.055)(815.862, 14011.61)(816.87164, 968.07)" Iopromide + 4.0295 FindByFormula + 790.8704 4.0295 Iopromide + 4.0395713 "Iopromide [ C18 H24 I3 N3 O8, db=98.72, tgt=, overall=98.72, CAS ID=, METLIN ID=43215 ]" "(813.859, 109366.36)(814.86224, 23200.121)(815.8585, 4594.8286)(816.8725, 48.44)" Iopromide + 4.0395713 FindByFormula + 812.8517 4.0395713 Iopromide + 4.0444 "Iopromide [ C18 H24 I3 N3 O8, db=86.60, tgt=, overall=86.60, CAS ID=, METLIN ID=43215 ]" "(813.8587, 6804.918)(814.8621, 1450.166)(815.8558, 435.398)(816.8728, 414.31)" Iopromide + 4.0444 FindByFormula + 812.8498 4.0444 Iopromide + 4.0507503 "Iopromide [ C18 H24 I3 N3 O8, db=90.69, tgt=, overall=90.69, CAS ID=, METLIN ID=43215 ]" "(813.85846, 7227.2827)(814.8618, 1491.115)(815.85565, 427.325)(816.8512, 244.815)" Iopromide + 4.0507503 FindByFormula + 812.8494 4.0507503 Iopromide + 4.051125 "Iopromide [ C18 H24 I3 N3 O8, db=99.35, tgt=, overall=99.35, CAS ID=, METLIN ID=43215 ]" "(1582.7422, 670.69)(1583.7449, 264.335)(1620.7026, 2633.295)(1621.6987, 1167.915)(1622.7007, 627.86)(1623.7003, 402.45)(1604.7308, 170339.58)(1605.7363, 74389.35)(1606.7269, 22223.125)(1607.7388, 7001.2754)(791.8762, 14649.427)(792.88043, 4548.185)(793.8812, 974.94)(829.8335, 93126.82)(830.8351, 24766.396)(831.83344, 11519.902)(832.8324, 3181.63)(813.8592, 342663.28)(814.8622, 71987.6)(815.8622, 15703.497)(816.8657, 4185.13)(817.8728, 527.345)" Iopromide + 4.051125 FindByFormula + 790.8681 4.051125 Iopromide + 4.690875 "Iopromide [ C18 H24 I3 N3 O8, db=98.66, tgt=, overall=98.66, CAS ID=, METLIN ID=43215 ]" "(1582.7341, 683.03)(1583.748, 286.345)(1620.7045, 3095.1267)(1621.7062, 1525.9233)(1622.6989, 765.4467)(1623.7142, 242.80669)(1604.7322, 152500.25)(1605.7345, 67677.89)(1606.7374, 19487.65)(1607.7354, 4472.29)(791.8764, 9285.612)(792.8793, 2937.28)(793.88153, 545.9625)(829.8336, 55254.285)(830.8376, 12085.277)(831.83484, 8110.952)(832.83105, 1702.304)(813.8599, 257132.64)(814.862, 55305.703)(815.8636, 12063.185)(816.8646, 1861.4701)(817.86676, 407.21667)" Iopromide + 4.690875 FindByFormula + 790.8701 4.690875 Iopromide + 4.6914997 "Iopromide [ C18 H24 I3 N3 O8, db=98.62, tgt=, overall=98.62, CAS ID=, METLIN ID=43215 ]" "(813.8601, 258647.95)(814.8626, 55538.496)(815.86426, 10545.88)(816.8651, 723.08997)" Iopromide + 4.6914997 FindByFormula + 812.8527 4.6914997 Iopromide + 4.6958337 "Iopromide [ C18 H24 I3 N3 O8, db=98.63, tgt=, overall=98.63, CAS ID=, METLIN ID=43215 ]" "(1582.7494, 829.16003)(1583.7573, 321.155)(1620.7024, 2928.435)(1621.6963, 1413.265)(1622.675, 587.115)(1623.7233, 207.95)(1604.7312, 220036.4)(1605.7334, 93449.2)(1606.7354, 28144.66)(1607.7365, 11928.98)(791.8764, 8508.629)(792.8773, 2722.7324)(793.8796, 674.3233)(829.8337, 52167.152)(830.8378, 11423.891)(831.8331, 6224.01)(832.83105, 1378.67)(813.8601, 256006.48)(814.8632, 54291.67)(815.86346, 10384.832)(816.86163, 1648.6179)(817.8614, 409.08)" Iopromide + 4.6958337 FindByFormula + 790.8716 4.6958337 Iopromide + 4.712 "Iopromide [ C18 H24 I3 N3 O8, db=99.11, tgt=, overall=99.11, CAS ID=, METLIN ID=43215 ]" "(813.85986, 344914.38)(814.86273, 73096.984)(815.86444, 13989.504)(816.8658, 3143.3)" Iopromide + 4.712 FindByFormula + 812.8518 4.712 Iprovalicarb "Iprovalicarb [ C18 H28 N2 O3, db=77.46, tgt=, overall=77.46, CAS ID=140923-17-7, KEGG ID=C18866, HMP ID=, METLIN ID=72628 ]" 140923-17-7 "(343.2006, 10610.122)(344.20142, 2270.93)" Iprovalicarb FindByFormula + C18866 342.194 10.180667 Iprovalicarb + 10.174666 "Iprovalicarb [ C18 H28 N2 O3, db=95.18, tgt=, overall=95.18, CAS ID=140923-17-7, KEGG ID=C18866, HMP ID=, METLIN ID=72628 ]" 140923-17-7 "(321.2191, 10206.39)(322.21945, 2570.7668)(323.221, 214.32)(359.1742, 1040.1733)(360.17242, 348.15997)(343.20007, 18481.54)(344.20273, 3984.2063)(345.199, 672.7834)" Iprovalicarb + 10.174666 FindByFormula + C18866 320.2114 10.174666 Irbesartan "Irbesartan [ C25 H28 N6 O, db=95.11, tgt=, overall=95.11, CAS ID=138402-11-6, KEGG ID=C07469, HMP ID=HMDB15163, METLIN ID=43218 ]" 138402-11-6 "(451.22232, 25164.65)(452.22452, 6937.224)(453.23105, 1594.78)(489.1745, 2392.085)(473.20288, 19600.05)(474.20526, 5332.69)(475.20966, 1328.225)" Irbesartan FindByFormula HMDB15163 + C07469 450.2141 8.115334 Iridotrial glucoside "Iridotrial glucoside [ C16 H24 O8, db=93.89, tgt=, overall=93.89, Lipid ID=LMPR0102070024, KEGG ID=C11653, METLIN ID=41169 ]" "(689.283, 172.1)(367.14014, 1933.6621)(368.1432, 499.95752)(345.15558, 26664.928)(346.15894, 5352.484)(347.15903, 475.73)(173.08006, 10215.69)(173.5814, 2253.2915)(174.08835, 437.72998)" Iridotrial glucoside FindByFormula + C11653 LMPR0102070024 344.1492 9.816714 Iriginol hexaaceatate "Iriginol hexaaceatate [ C27 H22 O14, db=88.47, tgt=, overall=88.47, CAS ID=103652-04-6, METLIN ID=43809 ]" 103652-04-6 "(569.0947, 6058.885)(570.09827, 1597.99)(571.0956, 626.64)" Iriginol hexaaceatate FindByFormula - 570.1026 9.881 Isodictamnine "Isodictamnine [ C12 H9 N O2, db=52.31, tgt=, overall=52.31, CAS ID=484-74-2, KEGG ID=C10697, METLIN ID=68504 ]" 484-74-2 "(200.0698, 4631.6206)(201.07065, 433.1931)(202.06717, 459.705)(222.0576, 2244.74)(223.0515, 281.58)" Isodictamnine FindByFormula + C10697 199.0613 0.9353751 Isoleucyl-Glycine "Isoleucyl-Glycine [ C8 H16 N2 O3, mfg=91.25, db=91.24, tgt=, overall=91.24, CAS ID=, HMP ID=HMDB28907, METLIN ID=85813 ]" "(189.12416, 7518.827)(190.12709, 884.89355)(191.1254, 326.70502)(227.0782, 175.82)(211.10538, 1908.8102)(212.1086, 332.96332)" Isoleucyl-Glycine FindByFormula HMDB28907 + 188.1176 2.45 Isomammein "Isomammein [ C22 H28 O5, db=68.73, tgt=, overall=68.73, CAS ID=478-67-1, HMP ID=HMDB30781, METLIN ID=87191 ]" 478-67-1 "(373.1997, 4175.42)(374.2023, 1313.1832)" Isomammein FindByFormula HMDB30781 + 372.1934 10.245999 Isopropalin "Isopropalin [ C15 H23 N3 O4, db=95.71, tgt=, overall=95.71, CAS ID=33820-53-0, KEGG ID=C19063, METLIN ID=72811 ]" 33820-53-0 "(619.3416, 922.75)(310.17676, 11422.105)(311.1786, 2348.1545)(312.18225, 353.94455)(348.13223, 283.17667)(332.1584, 687.03)" Isopropalin FindByFormula + C19063 309.1701 1.2870002 Isopropalin + 1.2428572 "Isopropalin [ C15 H23 N3 O4, db=97.96, tgt=, overall=97.96, CAS ID=33820-53-0, KEGG ID=C19063, METLIN ID=72811 ]" 33820-53-0 "(619.3362, 73.78)(310.17673, 14476.944)(311.17926, 2788.6543)(312.1823, 475.86002)(348.1268, 678.35)(332.1578, 1227.56)" Isopropalin + 1.2428572 FindByFormula + C19063 309.1702 1.2428572 Isopropalin + 1.2825791 "Isopropalin [ C15 H23 N3 O4, db=95.86, tgt=, overall=95.86, CAS ID=33820-53-0, KEGG ID=C19063, METLIN ID=72811 ]" 33820-53-0 "(310.17645, 9533.547)(311.1782, 1844.2013)(312.17917, 392.95636)(348.1287, 328.10333)(332.1611, 586.25)" Isopropalin + 1.2825791 FindByFormula + C19063 309.1698 1.2825791 Isoprothiolane "Isoprothiolane [ C12 H18 O4 S2, db=58.85, tgt=, overall=58.85, CAS ID=50512-35-1, KEGG ID=C11111, HMP ID=HMDB31779, METLIN ID=68852 ]" 50512-35-1 "(313.05313, 4738.9473)(314.05414, 775.10736)" Isoprothiolane FindByFormula HMDB31779 + C11111 312.0449 1.281 Isoprothiolane + 1.2733334 "Isoprothiolane [ C12 H18 O4 S2, db=83.81, tgt=, overall=83.81, CAS ID=50512-35-1, KEGG ID=C11111, HMP ID=HMDB31779, METLIN ID=68852 ]" 50512-35-1 "(291.07138, 314660.6)(292.07373, 45277.62)(293.07535, 11691.0205)(329.0268, 1023.22)(313.0534, 4722.61)(314.0567, 746.65)" Isoprothiolane + 1.2733334 FindByFormula HMDB31779 + C11111 290.0643 1.2733334 Isoxaben "Isoxaben [ C18 H24 N2 O4, db=77.56, tgt=, overall=77.56, CAS ID=82558-50-7, KEGG ID=C18504, METLIN ID=72310 ]" 82558-50-7 "(331.1651, 2773.925)(332.17096, 545.925)" Isoxaben FindByFormula - C18504 332.1719 1.7215 Istamycin A3 "Istamycin A3 [ C18 H36 N6 O5, db=81.91, tgt=, overall=81.91, KEGG ID=C17989, METLIN ID=71985 ]" "(417.282, 5336.6177)(418.28568, 1311.6025)" Istamycin A3 FindByFormula + C17989 416.2751 12.9205 Istamycin A3 + 9.75475 "Istamycin A3 [ C18 H36 N6 O5, db=58.06, tgt=, overall=58.06, KEGG ID=C17989, METLIN ID=71985 ]" "(877.5273, 132.61)(439.26453, 2407.815)(440.2646, 938.19006)" Istamycin A3 + 9.75475 FindByFormula + C17989 438.2521 9.75475 Istamycin AP "Istamycin AP [ C13 H28 N4 O4, db=95.66, tgt=, overall=95.66, KEGG ID=C17984, METLIN ID=71980 ]" "(327.20023, 9453.312)(328.20285, 1705.2842)(329.19626, 251.76001)" Istamycin AP FindByFormula + C17984 326.192 10.061143 Istamycin KL1 "Istamycin KL1 [ C13 H28 N4 O6, db=82.73, tgt=, overall=82.73, KEGG ID=C17983, METLIN ID=71979 ]" "(359.1907, 4587.66)(360.19513, 961.33496)(361.19385, 408.535)(381.1697, 347.03)" Istamycin KL1 FindByFormula + C17983 358.182 16.213501 Istamycin KL1 + 15.75 "Istamycin KL1 [ C13 H28 N4 O6, db=81.25, tgt=, overall=81.25, KEGG ID=C17983, METLIN ID=71979 ]" "(359.19073, 4127.73)(360.1926, 1102.655)(361.19556, 99.07)(381.1782, 171.96)" Istamycin KL1 + 15.75 FindByFormula + C17983 358.182 15.75 Italidipyrone "Italidipyrone [ C29 H34 O10, db=70.21, tgt=, overall=70.21, CAS ID=75680-22-7, HMP ID=HMDB41308, METLIN ID=95721 ]" 75680-22-7 "(1107.4097, 155.83)(1108.4114, 39.32)(543.2213, 2786.7551)(544.2235, 1044.435)(545.2288, 439.37)(565.20605, 3021.775)(566.2084, 973.225)(567.2152, 610.13)" Italidipyrone FindByFormula HMDB41308 + 542.2177 12.6075 Italidipyrone + 12.578667 "Italidipyrone [ C29 H34 O10, db=46.66, tgt=, overall=46.66, CAS ID=75680-22-7, HMP ID=HMDB41308, METLIN ID=95721 ]" 75680-22-7 "(565.2067, 2641.8635)(566.21515, 947.15674)" Italidipyrone + 12.578667 FindByFormula HMDB41308 + 564.1997 12.578667 Ivermectin B1a "Ivermectin B1a [ C48 H74 O14, db=72.86, tgt=, overall=72.86, CAS ID=71827-03-7, KEGG ID=C07970, METLIN ID=879 ]" 71827-03-7 "(875.5114, 16261.534)(876.51636, 7769.8345)(877.5157, 3556.1238)(878.51154, 1216.6267)(879.5111, 483.42667)" Ivermectin B1a FindByFormula + C07970 874.5048 16.642452 Ivermectin B1a + 15.846858 "Ivermectin B1a [ C48 H74 O14, db=78.84, tgt=, overall=78.84, CAS ID=71827-03-7, KEGG ID=C07970, METLIN ID=879 ]" 71827-03-7 "(897.49445, 2109.1028)(898.49786, 934.31)(899.49445, 350.84857)" Ivermectin B1a + 15.846858 FindByFormula + C07970 896.4825 15.846858 Ixabepilone "Ixabepilone [ C27 H42 N2 O5 S, db=31.30, tgt=, overall=31.30, CAS ID=219989-84-1, METLIN ID=85199 ]" 219989-84-1 "(529.2683, 3222.4001)(530.2687, 1133.9401)(531.2639, 1674.1533)(532.267, 510.46997)" Ixabepilone FindByFormula + 528.2606 22.398 Jamaicamide A "Jamaicamide A [ C27 H36 Br Cl N2 O4, db=5.64, tgt=, overall=5.64, KEGG ID=C18212, METLIN ID=65427 ]" "(567.1647, 1397.0983)(567.6622, 862.7432)(568.1717, 610.60504)(1133.3157, 1047.295)" Jamaicamide A FindByFormula + C18212 1132.3127 1.9333334 Janthitrem E "Janthitrem E [ C37 H49 N O6, db=64.10, tgt=, overall=64.10, CAS ID=90986-50-8, HMP ID=HMDB30529, METLIN ID=87042 ]" 90986-50-8 "(602.35114, 1831.41)(603.3544, 614.50244)" Janthitrem E FindByFormula HMDB30529 - 603.3595 2.905 Janthitrem E - 2.916 "Janthitrem E [ C37 H49 N O6, db=63.38, tgt=, overall=63.38, CAS ID=90986-50-8, HMP ID=HMDB30529, METLIN ID=87042 ]" 90986-50-8 "(602.3512, 1814.745)(603.35425, 589.575)" Janthitrem E - 2.916 FindByFormula HMDB30529 - 603.3593 2.916 Jaslanceoside B "Jaslanceoside B [ C26 H30 O14, db=73.69, tgt=, overall=73.69, CAS ID=188300-82-5, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29107 ]" 188300-82-5 "(567.16956, 15110.097)(568.1748, 3976.8499)(569.1775, 2990.7)" Jaslanceoside B FindByFormula + 566.1623 7.55675 Jaslanceoside B + 7.4317503 "Jaslanceoside B [ C26 H30 O14, db=67.29, tgt=, overall=67.29, CAS ID=188300-82-5, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29107 ]" 188300-82-5 "(567.16833, 12804.6045)(568.1741, 3301.0425)" Jaslanceoside B + 7.4317503 FindByFormula + 566.1611 7.4317503 Jervine "Jervine [ C27 H39 N O3, db=67.99, tgt=, overall=67.99, CAS ID=469-59-0, KEGG ID=C10811, METLIN ID=68599 ]" 469-59-0 "(235.63535, 1600.3201)(236.13489, 508.575)" Jervine FindByFormula + C10811 469.2554 12.532 JWH 073 N-butanoic acid metabolite-d5 "JWH 073 N-butanoic acid metabolite-d5 [ C23 H14 D5 N O3, db=83.49, tgt=, overall=83.49, CAS ID=1320363-50-5, METLIN ID=96673 ]" 1320363-50-5 "(361.1609, 2073.0537)(362.164, 476.914)" JWH 073 N-butanoic acid metabolite-d5 FindByFormula - 362.1682 12.01425 JZL 195 "JZL 195 [ C24 H23 N3 O5, db=61.05, tgt=, overall=61.05, CAS ID=1210004-12-8, METLIN ID=45586 ]" 1210004-12-8 "(456.15198, 21223.277)(457.14746, 6120.79)(458.1482, 1571.47)" JZL 195 FindByFormula + 455.1431 7.6797495 Kaempferol 3-(6''-sinapylglucosyl)-(1-2)-galactoside "Kaempferol 3-(6''-sinapylglucosyl)-(1-2)-galactoside [ C38 H40 O20, db=54.23, tgt=, overall=54.23, Lipid ID=LMPK12111694, METLIN ID=50110 ]" "(1655.4434, 377.69)(817.2182, 1217.97)(818.2334, 856.33997)(819.2201, 726.72)" Kaempferol 3-(6''-sinapylglucosyl)-(1-2)-galactoside FindByFormula + LMPK12111694 816.2181 1.9225 Kaempferol 3-(6''-sulfatogetiobioside) "Kaempferol 3-(6''-sulfatogetiobioside) [ C27 H30 O19 S, db=59.97, tgt=, overall=59.97, Lipid ID=LMPK12111835, METLIN ID=50251 ]" "(691.1171, 16099.1455)(692.1149, 7144.287)(693.1133, 1883.9017)" Kaempferol 3-(6''-sulfatogetiobioside) FindByFormula + LMPK12111835 690.1079 8.667722 Kaempferol 3-lathyroside-7-rhamnoside "Kaempferol 3-lathyroside-7-rhamnoside [ C32 H38 O19, db=59.21, tgt=, overall=59.21, Lipid ID=LMPK12111680, METLIN ID=50096 ]" "(725.19684, 1355.4551)(726.1997, 461.425)" Kaempferol 3-lathyroside-7-rhamnoside FindByFormula - LMPK12111680 726.2031 13.55 Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside "Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside [ C36 H36 O17, db=87.14, tgt=, overall=87.14, CAS ID=107190-70-5, Lipid ID= LMPK12111897, KEGG ID=, HMP ID=, METLIN ID=50313, AGILENTID=29365 ]" 107190-70-5 "(763.1832, 4298.4326)(764.1859, 1764.5049)(765.184, 640.885)" Kaempferol-3-O-(6'''-trans-p-coumaroyl-2''-glucosyl)rhamnoside FindByFormula + LMPK12111897 762.1731 25.608501 Karpoxanthin "Karpoxanthin [ C40 H58 O4, db=74.99, tgt=, overall=74.99, CAS ID=99664-48-9, HMP ID=HMDB34977, METLIN ID=90344 ]" 99664-48-9 "(603.4418, 4254.1123)(604.44385, 1425.4875)(605.435, 577.3025)" Karpoxanthin FindByFormula HMDB34977 + 602.4338 22.35925 Kazinol E "Kazinol E [ C30 H38 O4, db=71.45, tgt=, overall=71.45, Lipid ID=LMPK12020237, METLIN ID=47453 ]" "(485.26453, 5975.5938)(486.27036, 2087.6633)" Kazinol E FindByFormula + LMPK12020237 484.2581 15.247668 KDNalpha2-3Galbeta1-3GalNAcbeta1-4(KDNalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0) "KDNalpha2-3Galbeta1-3GalNAcbeta1-4(KDNalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0) [ C88 H158 N2 O39, db=85.42, tgt=, overall=85.42, Lipid ID=LMSP0601DE06, METLIN ID=56764 ]" "(934.5325, 9355.44)(935.0356, 8824.021)(935.5351, 5059.0)(936.03656, 2255.7666)(936.54114, 833.772)(964.69794, 898.1333)(965.184, 596.12335)(965.51105, 168.9)" KDNalpha2-3Galbeta1-3GalNAcbeta1-4(KDNalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:0) FindByFormula + LMSP0601DE06 1867.0581 9.2105 Kelevan "Kelevan [ C17 H12 Cl10 O4, db=0.00, tgt=, overall=0.00, CAS ID=4234-79-1, KEGG ID=C18962, METLIN ID=72721 ]" 4234-79-1 "(630.7687, 240.245)(631.26306, 169.79001)" Kelevan FindByFormula + C18962 1259.528 7.7265 Kikkanol A "Kikkanol A [ C15 H26 O3, db=60.68, tgt=, overall=60.68, KEGG ID=C17603, METLIN ID=71808 ]" "(255.19424, 2666.25)(256.1962, 690.53503)" Kikkanol A FindByFormula + C17603 254.1884 9.5285 Kobusone "Kobusone [ C14 H22 O2, db=85.77, tgt=, overall=85.77, CAS ID=24173-71-5, KEGG ID=C16983, METLIN ID=43735 ]" 24173-71-5 "(245.15088, 7572.532)(246.15518, 1173.522)(267.13364, 2137.6575)" Kobusone FindByFormula + C16983 244.1437 1.6114 Kobusone + 1.6351999 "Kobusone [ C14 H22 O2, db=84.30, tgt=, overall=84.30, CAS ID=24173-71-5, KEGG ID=C16983, METLIN ID=43735 ]" 24173-71-5 "(245.15054, 9043.118)(246.1545, 1219.142)(267.1324, 2623.1)" Kobusone + 1.6351999 FindByFormula + C16983 244.1431 1.6351999 Kolanone "Kolanone [ C33 H42 O4, db=40.60, tgt=, overall=40.60, CAS ID=81827-55-6, KEGG ID=C09948, METLIN ID=68035 ]" 81827-55-6 "(1005.6189, 5138.5303)(1006.61926, 2890.6348)(1007.61804, 1002.9325)(1027.5955, 3612.275)(1028.5992, 1833.3125)(503.30978, 1648.1549)(525.29553, 1164.02)(526.2969, 183.04001)" Kolanone FindByFormula + C09948 502.3042 6.565875 KRP 203 "KRP 203 [ C24 H26 Cl N O3 S, db=46.24, tgt=, overall=46.24, CAS ID=509088-69-1, METLIN ID=96464 ]" 509088-69-1 "(466.12036, 1046.495)(467.13226, 384.47)" KRP 203 FindByFormula + 465.1147 1.2855 Kurilensoside F "Kurilensoside F [ C33 H58 O11, db=64.23, tgt=, overall=64.23, Lipid ID=LMST05050015, METLIN ID=84935 ]" "(653.38635, 1314.385)(654.388, 568.565)" Kurilensoside F FindByFormula + LMST05050015 652.3788 17.207 Kurilensoside G "Kurilensoside G [ C32 H54 O10, db=47.93, tgt=, overall=47.93, Lipid ID=LMST05050016, METLIN ID=84936 ]" "(597.3623, 697.67004)(598.3624, 313.16998)" Kurilensoside G FindByFormula - LMST05050016 598.3696 8.2455 Kurilensoside H "Kurilensoside H [ C32 H54 O11, db=89.12, tgt=, overall=89.12, Lipid ID=LMST05050017, METLIN ID=84937 ]" "(613.3609, 2085.8801)(614.36426, 776.36993)(615.3589, 198.86334)" Kurilensoside H FindByFormula - LMST05050017 614.3683 9.975999 Kurilensoside I "Kurilensoside I [ C43 H72 O19, db=70.03, tgt=, overall=70.03, Lipid ID=LMST05050019, METLIN ID=84939 ]" "(893.47095, 17057.07)(894.4729, 7593.5303)(895.4645, 2597.145)(915.4644, 12869.75)(916.4814, 4347.6)" Kurilensoside I FindByFormula + LMST05050019 892.4725 8.488 Kynurenine "Kynurenine [ C10 H12 N2 O3, db=96.15, tgt=, overall=96.15, CAS ID=2922-83-0, Lipid ID=, KEGG ID=C00328, HMP ID=HMDB00684, METLIN ID=, AGILENTID=29002 ]" 2922-83-0 "(483.12427, 549.075)(231.0747, 10350.889)(232.07816, 1373.255)(233.08228, 143.2425)(269.03082, 1384.7233)(270.0353, 144.59)(253.05629, 4658.4375)(254.05232, 529.73663)(255.0678, 266.43)" Kynurenine FindByFormula HMDB00684 + C00328 230.0694 1.9574 "Labda-7,14-dien-6-one, 13-hydroxy" "Labda-7,14-dien-6-one, 13-hydroxy [ C20 H32 O2, db=98.20, tgt=, overall=98.20, CAS ID=3397-48-6, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29164 ]" 3397-48-6 "(647.44366, 430.80997)(631.4646, 202.45999)(305.2481, 16226.803)(306.25116, 3720.8462)(307.2514, 548.30945)(343.2004, 894.7934)(327.2284, 4681.785)(328.23026, 1073.2511)(329.22894, 362.7111)" "Labda-7,14-dien-6-one, 13-hydroxy" FindByFormula + 304.2409 20.508528 Labriformidin "Labriformidin [ C29 H36 O11, db=65.77, tgt=, overall=65.77, CAS ID=66419-08-7, KEGG ID=C08870, METLIN ID=67235 ]" 66419-08-7 "(561.2356, 2772.19)(562.2308, 922.89246)(583.21497, 1847.915)(584.2235, 242.44)" Labriformidin FindByFormula + C08870 560.2248 10.04725 Lacto-N-fucoheptaose "Lacto-N-fucoheptaose [ C46 H78 N2 O35, db=0.00, tgt=, overall=0.00, CAS ID=56501-25-8, HMP ID=HMDB06643, METLIN ID=58506 ]" 56501-25-8 "(1241.4257, 10684.306)(1241.8895, 15093.0205)(1242.387, 7341.933)(1242.8846, 2480.323)(1271.356, 597.045)(1271.8528, 625.5625)(621.2051, 8674.355)(621.7, 6441.9946)(622.20135, 606.3028)(1241.3864, 1992.4)(1279.3583, 405.66333)(1280.3434, 229.39)" Lacto-N-fucoheptaose FindByFormula HMDB06643 + 1240.3889 7.2215 Lactosylceramide (d18:1/16:0) "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=89.95, tgt=, overall=89.95, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.6058, 21683.11)(885.6097, 10894.331)(886.6126, 5084.7124)(887.61163, 1176.56)" Lactosylceramide (d18:1/16:0) FindByFormula HMDB04868 + 883.6012 20.563833 Lactosylceramide (d18:1/16:0) + 20.561167 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=91.50, tgt=, overall=91.50, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.605, 9336.143)(885.6089, 4495.3364)(886.6125, 1800.8849)" Lactosylceramide (d18:1/16:0) + 20.561167 FindByFormula HMDB04868 + 883.5966 20.561167 Lactosylceramide (d18:1/16:0) + 20.766376 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=98.40, tgt=, overall=98.40, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.60657, 41432.89)(885.6102, 22462.316)(886.61395, 6236.3516)(887.6099, 1134.2167)(888.6177, 998.8)" Lactosylceramide (d18:1/16:0) + 20.766376 FindByFormula HMDB04868 + 883.6012 20.766376 Lactosylceramide (d18:1/16:0) + 20.89025 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=76.95, tgt=, overall=76.95, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.6068, 59073.82)(885.6101, 31714.137)(886.613, 883.18)" Lactosylceramide (d18:1/16:0) + 20.89025 FindByFormula HMDB04868 + 883.6007 20.89025 Lactosylceramide (d18:1/16:0) + 20.9365 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=79.88, tgt=, overall=79.88, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.6072, 82098.3)(885.60986, 43719.38)(886.6129, 26326.77)(887.6109, 7031.76)(888.6183, 1655.01)" Lactosylceramide (d18:1/16:0) + 20.9365 FindByFormula HMDB04868 + 883.5999 20.9365 Lactosylceramide (d18:1/16:0) + 21.373331 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=82.02, tgt=, overall=82.02, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.60504, 1716.2035)(885.6058, 744.22)(886.60785, 258.01666)" Lactosylceramide (d18:1/16:0) + 21.373331 FindByFormula HMDB04868 + 883.5966 21.373331 Lactosylceramide (d18:1/16:0) + 21.525 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=87.62, tgt=, overall=87.62, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.60614, 2817.0598)(885.6096, 1393.9501)(886.6093, 637.56)" Lactosylceramide (d18:1/16:0) + 21.525 FindByFormula HMDB04868 + 883.5984 21.525 Lactosylceramide (d18:1/16:0) + 21.5692 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=88.79, tgt=, overall=88.79, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.60614, 2097.816)(885.6085, 876.954)(886.61035, 345.534)" Lactosylceramide (d18:1/16:0) + 21.5692 FindByFormula HMDB04868 + 883.5965 21.5692 Lactosylceramide (d18:1/16:0) + 22.021002 "Lactosylceramide (d18:1/16:0) [ C46 H87 N O13, db=83.79, tgt=, overall=83.79, HMP ID=HMDB04868, METLIN ID=7125 ]" "(884.6054, 3266.5566)(885.6096, 1617.6632)(886.61145, 839.87)" Lactosylceramide (d18:1/16:0) + 22.021002 FindByFormula HMDB04868 + 883.5963 22.021002 Lactosylceramide (d18:1/24:1(15Z)) "Lactosylceramide (d18:1/24:1(15Z)) [ C54 H101 N O13, db=50.49, tgt=, overall=50.49, CAS ID=483370-78-1, KEGG ID=C01290, HMP ID=HMDB04872, METLIN ID=7129 ]" 483370-78-1 "(972.7351, 3382.92)(973.74274, 2627.3337)" Lactosylceramide (d18:1/24:1(15Z)) FindByFormula HMDB04872 + C01290 971.7303 26.468502 "L-Alanine, N-propyl-" "L-Alanine, N-propyl- [ C6 H13 N O2, db=85.81, tgt=, overall=85.81, CAS ID=13013-28-0, METLIN ID=2074 ]" 13013-28-0 "(130.0874, 3209.0928)(131.08919, 233.47818)" "L-Alanine, N-propyl-" FindByFormula - 131.0945 1.2682726 L-a-Lysophosphatidylserine "L-a-Lysophosphatidylserine [ C24 H48 N O9 P, db=76.11, tgt=, overall=76.11, CAS ID=119786-67-3, METLIN ID=34531 ]" 119786-67-3 "(526.31396, 2213.4675)(527.31757, 701.53503)" L-a-Lysophosphatidylserine FindByFormula + 525.3062 26.937 Lappaol B "Lappaol B [ C31 H34 O9, db=94.23, tgt=, overall=94.23, KEGG ID=C17685, METLIN ID=71862 ]" "(1123.4125, 101.45)(551.2285, 3252.455)(552.23267, 977.125)(553.23157, 172.70999)" Lappaol B FindByFormula + C17685 550.2203 16.7855 Laserpitin "Laserpitin [ C25 H38 O7, db=66.82, tgt=, overall=66.82, CAS ID=7067-12-1, KEGG ID=C09697, METLIN ID=67891 ]" 12/1/7067 "(473.25082, 5481.248)(474.2591, 1729.9099)" Laserpitin FindByFormula + C09697 472.2419 9.307401 Latifolin "Latifolin [ C17 H18 O4, db=75.95, tgt=, overall=75.95, Lipid ID=LMPK12100064, METLIN ID=48424 ]" "(285.11417, 1813.7533)(286.11826, 425.08667)" Latifolin FindByFormula - LMPK12100064 286.1214 9.940333 Latrunculin A "Latrunculin A [ C22 H31 N O5 S, db=36.54, tgt=, overall=36.54, CAS ID=76343-93-6, KEGG ID=C16901, METLIN ID=64706 ]" 76343-93-6 "(422.20093, 7319.375)(423.21124, 2503.2349)" Latrunculin A FindByFormula + C16901 421.1927 1.1949999 Lauric acid(d3) "Lauric acid(d3) [ C12 H21 D3 O2, db=76.28, tgt=, overall=76.28, CAS ID=79050-22-9, Lipid ID=LMFA01010043, METLIN ID=45751 ]" 79050-22-9 "(204.2038, 35195.36)(205.2077, 2372.475)" Lauric acid(d3) FindByFormula + LMFA01010043 203.1969 1.0375 Laurolitsine "Laurolitsine [ C18 H19 N O4, db=71.44, tgt=, overall=71.44, CAS ID=5890-18-6, KEGG ID=C16984, METLIN ID=71481 ]" 5890-18-6 "(314.1388, 2419.9575)(315.14163, 720.5987)(336.12073, 491.50168)" Laurolitsine FindByFormula + C16984 313.1306 12.650125 Lauryl hydrogen sulfate "Lauryl hydrogen sulfate [ C12 H26 O4 S, db=83.23, tgt=, overall=83.23, CAS ID=151-21-3, KEGG ID=C11166, HMP ID=HMDB05004, METLIN ID=58284 ]" 151-21-3 "(265.14664, 6654.4897)(266.14978, 974.55664)(267.1454, 879.29)" Lauryl hydrogen sulfate FindByFormula HMDB05004 - C11166 266.1534 16.638 Lauryl hydrogen sulfate - 16.0528 "Lauryl hydrogen sulfate [ C12 H26 O4 S, db=70.36, tgt=, overall=70.36, CAS ID=151-21-3, KEGG ID=C11166, HMP ID=HMDB05004, METLIN ID=58284 ]" 151-21-3 "(265.14703, 1652.374)(266.1495, 282.93)" Lauryl hydrogen sulfate - 16.0528 FindByFormula HMDB05004 - C11166 266.1544 16.0528 Lauryl hydrogen sulfate - 16.08654 "Lauryl hydrogen sulfate [ C12 H26 O4 S, db=92.89, tgt=, overall=92.89, CAS ID=151-21-3, KEGG ID=C11166, HMP ID=HMDB05004, METLIN ID=58284 ]" 151-21-3 "(265.14673, 2541.6858)(266.1495, 358.97922)(267.14438, 185.62584)" Lauryl hydrogen sulfate - 16.08654 FindByFormula HMDB05004 - C11166 266.1526 16.08654 Lauryl hydrogen sulfate - 16.093092 "Lauryl hydrogen sulfate [ C12 H26 O4 S, db=93.97, tgt=, overall=93.97, CAS ID=151-21-3, KEGG ID=C11166, HMP ID=HMDB05004, METLIN ID=58284 ]" 151-21-3 "(265.14676, 2758.7039)(266.1497, 371.97363)(267.1445, 151.35)" Lauryl hydrogen sulfate - 16.093092 FindByFormula HMDB05004 - C11166 266.1531 16.093092 L-beta-aspartyl-L-phenylalanine "L-beta-aspartyl-L-phenylalanine [ C13 H16 N2 O5, mfg=60.65, db=60.64, tgt=, overall=60.64, HMP ID=HMDB11167, METLIN ID=62016 ]" "(281.1126, 6462.0547)(282.11926, 1876.3301)(283.10596, 349.64502)(319.063, 320.305)(303.09805, 1376.2749)" L-beta-aspartyl-L-phenylalanine FindByFormula HMDB11167 + 280.1073 1.7804999 Leu Ala Pro "Leu Ala Pro [ C14 H25 N3 O4, db=78.40, tgt=, overall=78.40, METLIN ID=16292 ]" "(300.1919, 3209.923)(301.1946, 676.4133)(302.19754, 453.44333)(322.17615, 500.435)" Leu Ala Pro FindByFormula + 299.1847 3.412 Leu Asp Lys "Leu Asp Lys [ C16 H30 N4 O6, db=64.73, tgt=, overall=64.73, METLIN ID=19508 ]" "(787.3965, 302.1367)(375.2247, 11172.147)(376.2245, 2545.0266)(377.21512, 1399.1234)(397.20776, 1611.355)" Leu Asp Lys FindByFormula + 374.2207 1.1203333 Leu Gln Arg "Leu Gln Arg [ C17 H33 N7 O5, db=42.43, tgt=, overall=42.43, METLIN ID=16320 ]" "(416.26074, 1642.3282)(417.2601, 564.5983)(418.2523, 256.31)(438.2415, 690.25)" Leu Gln Arg FindByFormula + 415.2547 1.3478333 Leu Gly Val "Leu Gly Val [ C13 H25 N3 O4, db=71.23, tgt=, overall=71.23, METLIN ID=17429 ]" "(288.19287, 4211.2754)(289.19214, 1016.885)(326.147, 181.19)(310.1743, 6563.27)(311.1775, 1603.7)" Leu Gly Val FindByFormula + 287.1849 7.1210003 Leu Gly Val + 3.8435001 "Leu Gly Val [ C13 H25 N3 O4, db=68.44, tgt=, overall=68.44, METLIN ID=17429 ]" "(288.19067, 1847.545)(289.19165, 384.945)(310.17206, 546.435)" Leu Gly Val + 3.8435001 FindByFormula + 287.1834 3.8435001 Leu Gly Val + 3.869 "Leu Gly Val [ C13 H25 N3 O4, db=77.12, tgt=, overall=77.12, METLIN ID=17429 ]" "(288.19186, 2104.59)(289.19354, 444.9)(310.1735, 411.53)" Leu Gly Val + 3.869 FindByFormula + 287.1862 3.869 Leu Ile Phe "Leu Ile Phe [ C21 H33 N3 O4, db=90.00, tgt=, overall=90.00, METLIN ID=16864 ]" "(783.5015, 389.05)(392.2548, 32239.98)(393.25604, 8512.885)(394.25177, 1510.77)(430.2077, 2002.79)(431.2214, 818.73)(414.23602, 14510.6)(415.23706, 3624.275)(416.2449, 1376.35)" Leu Ile Phe FindByFormula + 391.249 8.5505 Leu Leu Thr "Leu Leu Thr [ C16 H31 N3 O5, db=54.79, tgt=, overall=54.79, METLIN ID=15718 ]" "(346.23245, 1778.665)(347.23303, 536.45496)" Leu Leu Thr FindByFormula + 345.2258 7.74 Leu Phe "Leu Phe [ C15 H22 N2 O3, mfg=89.54, db=89.54, tgt=, overall=89.54, METLIN ID=24020 ]" "(279.17032, 5124.473)(280.17563, 812.12335)(281.16595, 150.91)(301.1545, 631.22)(302.1492, 35.23)" Leu Phe FindByFormula + 278.1637 7.601667 Leu Pro Pro "Leu Pro Pro [ C16 H27 N3 O4, db=28.83, tgt=, overall=28.83, METLIN ID=19860 ]" "(326.207, 4358.18)(326.70563, 85.045)(327.20642, 763.90497)" Leu Pro Pro FindByFormula + 650.3989 6.934 Leu Thr Val "Leu Thr Val [ C15 H29 N3 O5, db=60.90, tgt=, overall=60.90, METLIN ID=19392 ]" "(332.21722, 1610.405)(333.22162, 391.94)(334.2191, 412.83)" Leu Thr Val FindByFormula + 331.2099 7.2825 Leu Tyr "Leu Tyr [ C15 H22 N2 O4, db=79.32, tgt=, overall=79.32, METLIN ID=24011 ]" "(293.15198, 1878.905)(294.15558, 343.53497)" Leu Tyr FindByFormula - 294.1589 6.5325003 Leu Val Pro "Leu Val Pro [ C16 H29 N3 O4, db=91.31, tgt=, overall=91.31, METLIN ID=20636 ]" "(328.22348, 9935.099)(329.22403, 2157.58)(330.22437, 327.378)(350.20224, 4106.742)(351.208, 1149.705)(352.2051, 944.0)" Leu Val Pro FindByFormula + 327.2172 7.2696667 Leu Val Pro + 7.2790003 "Leu Val Pro [ C16 H29 N3 O4, db=82.08, tgt=, overall=82.08, METLIN ID=20636 ]" "(677.4135, 407.11)(328.2235, 13072.125)(329.22415, 3332.615)(330.2181, 373.305)(350.20367, 4898.765)(351.20917, 974.055)(352.2054, 677.61)" Leu Val Pro + 7.2790003 FindByFormula + 327.2149 7.2790003 Leu-Asp-OH "Leu-Asp-OH [ C15 H18 N2 O8, db=72.49, tgt=, overall=72.49, METLIN ID=65051 ]" "(353.10068, 2726.91)(354.10312, 603.7133)" Leu-Asp-OH FindByFormula - 354.1082 8.137666 Leucomycin A3 "Leucomycin A3 [ C42 H69 N O15, db=41.75, tgt=, overall=41.75, CAS ID=16846-24-5, KEGG ID=C12662, METLIN ID=69466 ]" 16846-24-5 "(826.4581, 1066.455)(827.4543, 556.92004)" Leucomycin A3 FindByFormula - C12662 827.4647 8.5225 Leucomycin A7 "Leucomycin A7 [ C38 H63 N O14, db=23.22, tgt=, overall=23.22, CAS ID=18361-47-2, KEGG ID=C14060, METLIN ID=69774 ]" 18361-47-2 "(758.4285, 69641.27)(758.93085, 51588.86)(759.4311, 23829.412)(759.9331, 9251.773)(760.4311, 2323.1667)(760.9303, 1043.67)" Leucomycin A7 FindByFormula + C14060 1514.8402 9.043334 Leucyl-Serine "Leucyl-Serine [ C9 H18 N2 O4, db=91.38, tgt=, overall=91.38, CAS ID=, HMP ID=HMDB28938, METLIN ID=85840 ]" "(219.13495, 14685.83)(220.1368, 1622.43)(221.13225, 424.69)(257.0913, 894.79)(241.1163, 8221.37)(242.1187, 814.23)" Leucyl-Serine FindByFormula HMDB28938 + 218.127 1.1245 Leukotriene D4 methyl ester "Leukotriene D4 methyl ester [ C26 H42 N2 O6 S, mfg=95.27, db=95.33, tgt=, overall=95.30, METLIN ID=45049 ]" "(511.28412, 3433.9058)(512.2863, 949.2372)(513.2862, 223.51802)" Leukotriene D4 methyl ester FindByFormula + 510.2787 26.291285 Leukotriene E4 methyl ester "Leukotriene E4 methyl ester [ C24 H39 N O5 S, db=86.24, tgt=, overall=86.24, METLIN ID=45050 ]" "(951.4902, 499.37668)(952.4832, 765.96)(495.22345, 449.90002)(495.72516, 189.77)(487.23633, 1218.265)(487.73724, 421.79)(238.62823, 5608.9463)(239.12852, 1350.9204)(239.63196, 386.06998)(476.24582, 7748.746)(477.2474, 1977.9429)(478.2501, 321.55817)(498.23242, 957.71)(499.23276, 252.36775)(500.23758, 124.06833)" Leukotriene E4 methyl ester FindByFormula + 475.2411 15.187952 Leukotriene E4 methyl ester + 15.200181 "Leukotriene E4 methyl ester [ C24 H39 N O5 S, db=71.91, tgt=, overall=71.91, METLIN ID=45050 ]" "(238.62793, 7570.714)(239.12917, 1843.9874)(239.6326, 698.9)(240.1371, 98.55)(476.2457, 11557.702)(477.2485, 2872.3545)(478.2607, 1357.8)(498.23395, 2204.3567)(499.2301, 691.47)(500.2439, 412.17)" Leukotriene E4 methyl ester + 15.200181 FindByFormula + 475.2433 15.200181 Leupeptin "Leupeptin [ C20 H38 N6 O4, db=87.57, tgt=, overall=87.57, CAS ID=24125-16-4, METLIN ID=44689 ]" 24125-16-4 "(449.28653, 11587.325)(450.29013, 3237.541)(451.28918, 668.16174)" Leupeptin FindByFormula + 448.2787 15.998868 Leupeptin + 16.389374 "Leupeptin [ C20 H38 N6 O4, db=88.29, tgt=, overall=88.29, CAS ID=24125-16-4, METLIN ID=44689 ]" 24125-16-4 "(449.28665, 11521.6875)(450.2901, 3081.4187)(451.29022, 664.4551)" Leupeptin + 16.389374 FindByFormula + 448.2798 16.389374 Levoamine (Chloramphenicol D base) "Levoamine (Chloramphenicol D base) [ C9 H12 N2 O4, db=85.03, tgt=, overall=85.03, CAS ID=716-61-0, METLIN ID=639 ]" 716-61-0 "(235.0692, 13346.805)(236.07266, 1701.5549)" Levoamine (Chloramphenicol D base) FindByFormula + 234.0617 4.0515003 Levobunolol sulfate "Levobunolol sulfate [ C17 H25 N O6 S, db=66.71, tgt=, overall=66.71, CAS ID=66171-81-1, METLIN ID=935 ]" 66171-81-1 "(370.13153, 2470.18)(371.13504, 572.335)" Levobunolol sulfate FindByFormula - 371.1388 12.245 Levofuraltadone "Levofuraltadone [ C13 H16 N4 O6, db=94.93, tgt=, overall=94.93, CAS ID=3795-88-8, KEGG ID=C19267, METLIN ID=72985 ]" 3795-88-8 "(347.09583, 73348.49)(348.0982, 9921.835)(349.1043, 3241.51)" Levofuraltadone FindByFormula + C19267 346.0899 0.96449995 Levofuraltadone + 1.048 "Levofuraltadone [ C13 H16 N4 O6, db=97.31, tgt=, overall=97.31, CAS ID=3795-88-8, KEGG ID=C19267, METLIN ID=72985 ]" 3795-88-8 "(347.096, 57334.023)(348.0986, 7865.475)(349.1014, 2298.405)" Levofuraltadone + 1.048 FindByFormula + C19267 346.0891 1.048 L-Glutamic acid dibutyl ester "L-Glutamic acid dibutyl ester [ C13 H25 N O4, db=79.82, tgt=, overall=79.82, CAS ID=4261-76-1, METLIN ID=3545 ]" 4261-76-1 "(282.16818, 9188.692)(283.17075, 1779.8551)" L-Glutamic acid dibutyl ester FindByFormula + 281.1615 8.111 L-Glutamic acid dibutyl ester + 8.093333 "L-Glutamic acid dibutyl ester [ C13 H25 N O4, db=97.85, tgt=, overall=97.85, CAS ID=4261-76-1, METLIN ID=3545 ]" 4261-76-1 "(260.1864, 21345.562)(261.18945, 3131.8557)(262.19043, 412.87198)(298.1431, 511.41998)(282.16754, 4966.777)(283.16803, 1101.418)" L-Glutamic acid dibutyl ester + 8.093333 FindByFormula + 259.1786 8.093333 L-Glutamic acid n-butyl ester "L-Glutamic acid n-butyl ester [ C9 H17 N O4, db=96.66, tgt=, overall=96.66, CAS ID=152726-66-4, METLIN ID=3544 ]" 152726-66-4 "(407.23816, 6012.016)(408.23682, 1281.5575)(409.23865, 520.15247)(429.2194, 598.152)(204.12314, 605481.5)(205.12492, 58309.76)(206.12666, 7444.3174)(207.12532, 737.24335)(242.07895, 1513.3812)(226.10481, 5443.7354)(227.10356, 1154.592)" L-Glutamic acid n-butyl ester FindByFormula + 203.1143 1.0269444 Limonoate "Limonoate [ C26 H34 O10, db=52.27, tgt=, overall=52.27, KEGG ID=C01593, METLIN ID=65618 ]" "(529.20605, 1367.705)(530.20886, 596.305)(531.19366, 510.36002)" Limonoate FindByFormula + C01593 528.2 1.1425 "Linalool 3,6-oxide primeveroside" "Linalool 3,6-oxide primeveroside [ C21 H36 O11, mfg=60.64, db=60.59, tgt=, overall=60.61, CAS ID=, HMP ID=HMDB35489, METLIN ID=90771 ]" "(465.23462, 2894.4475)(466.24005, 1184.8075)(467.24738, 79.035)" "Linalool 3,6-oxide primeveroside" FindByFormula HMDB35489 + 464.2322 8.74625 Lindheimerine "Lindheimerine [ C22 H31 N O2, db=75.52, tgt=, overall=75.52, CAS ID=68831-67-4, KEGG ID=C08695, METLIN ID=67129 ]" 68831-67-4 "(340.22662, 2716.7478)(341.23056, 545.89197)" Lindheimerine FindByFormula - C08695 341.233 7.8346 Linustatin "Linustatin [ C16 H27 N O11, db=97.22, tgt=, overall=97.22, CAS ID=72229-40-4, KEGG ID=C08333, METLIN ID=66912 ]" 72229-40-4 "(410.1659, 447903.25)(411.1694, 69630.984)(412.17242, 9284.388)(413.1772, 973.02997)" Linustatin FindByFormula + C08333 409.1594 11.779525 Linustatin + 11.314334 "Linustatin [ C16 H27 N O11, db=97.48, tgt=, overall=97.48, CAS ID=72229-40-4, KEGG ID=C08333, METLIN ID=66912 ]" 72229-40-4 "(410.16528, 79178.98)(411.16965, 15294.57)(412.17398, 1941.4501)(413.1753, 716.95)" Linustatin + 11.314334 FindByFormula + C08333 409.1588 11.314334 Linustatin + 11.315111 "Linustatin [ C16 H27 N O11, db=98.27, tgt=, overall=98.27, CAS ID=72229-40-4, KEGG ID=C08333, METLIN ID=66912 ]" 72229-40-4 "(410.16583, 84012.15)(411.16992, 15613.835)(412.17398, 2204.1313)(413.175, 310.935)" Linustatin + 11.315111 FindByFormula + C08333 409.1589 11.315111 Linustatin + 11.819785 "Linustatin [ C16 H27 N O11, db=96.92, tgt=, overall=96.92, CAS ID=72229-40-4, KEGG ID=C08333, METLIN ID=66912 ]" 72229-40-4 "(410.16522, 488566.4)(411.16843, 75967.17)(412.17114, 10196.13)(413.1756, 574.42505)" Linustatin + 11.819785 FindByFormula + C08333 409.1586 11.819785 Linustatin + 12.407125 "Linustatin [ C16 H27 N O11, db=98.10, tgt=, overall=98.10, CAS ID=72229-40-4, KEGG ID=C08333, METLIN ID=66912 ]" 72229-40-4 "(410.16556, 134070.36)(411.16785, 24475.045)(412.17047, 3262.2314)(413.1716, 378.36)" Linustatin + 12.407125 FindByFormula + C08333 409.1585 12.407125 Linustatin + 13.1216 "Linustatin [ C16 H27 N O11, db=97.77, tgt=, overall=97.77, CAS ID=72229-40-4, KEGG ID=C08333, METLIN ID=66912 ]" 72229-40-4 "(410.16608, 36622.79)(411.1691, 5850.592)(412.17197, 876.442)(413.17383, 141.755)" Linustatin + 13.1216 FindByFormula + C08333 409.1595 13.1216 Lipid X "Lipid X [ C34 H66 N O12 P, db=71.79, tgt=, overall=71.79, Lipid ID=LMSL01020001, METLIN ID=3916 ]" "(734.4226, 4252.62)(735.41876, 1800.04)(736.42194, 751.12)" Lipid X FindByFormula + LMSL01020001 733.4112 9.200001 Lipomycin "Lipomycin [ C32 H45 N O9, mfg=64.71, db=63.86, tgt=, overall=64.29, KEGG ID=C15842, METLIN ID=71108 ]" "(588.3128, 1313.249)(589.31104, 610.988)(626.27454, 5103.4697)(627.2774, 1537.42)(628.2852, 1123.375)" Lipomycin FindByFormula + C15842 587.3114 14.032584 Lithocholate 3-O-glucuronide "Lithocholate 3-O-glucuronide [ C30 H48 O9, db=79.60, tgt=, overall=79.60, CAS ID=75239-91-7, KEGG ID=C03033, HMP ID=HMDB02513, METLIN ID=6706 ]" 75239-91-7 "(553.33435, 2916.2502)(554.3386, 857.6817)(555.33813, 310.9818)" Lithocholate 3-O-glucuronide FindByFormula HMDB02513 + C03033 552.3288 14.141455 Lithospermic acid "Lithospermic acid [ C27 H22 O12, db=58.63, tgt=, overall=58.63, CAS ID=28831-65-4, KEGG ID=C08745, METLIN ID=67165 ]" 28831-65-4 "(561.1023, 588.475)(562.10974, 235.38)(563.10645, 124.13)" Lithospermic acid FindByFormula + C08745 560.0969 13.082 L-Oleandrosyl-oleandolide "L-Oleandrosyl-oleandolide [ C27 H46 O10, db=69.50, tgt=, overall=69.50, Lipid ID=LMPK04000033, KEGG ID=C11992, METLIN ID=40997 ]" "(1105.5854, 282.38)(1143.5461, 565.06)(553.2969, 11428.09)(554.2973, 3311.7349)(555.2911, 1074.875)" L-Oleandrosyl-oleandolide FindByFormula + C11992 LMPK04000033 552.2884 7.4005003 L-Olivosyl-oleandolide "L-Olivosyl-oleandolide [ C26 H44 O10, db=10.83, tgt=, overall=10.83, Lipid ID=LMPK04000032, KEGG ID=C11991, METLIN ID=40996 ]" "(539.2827, 8726.918)(539.7803, 632.5175)(540.2878, 4768.75)" L-Olivosyl-oleandolide FindByFormula + C11991 LMPK04000032 1076.551 6.76425 L-Olivosyl-oleandolide - 6.7695003 "L-Olivosyl-oleandolide [ C26 H44 O10, db=91.28, tgt=, overall=91.28, Lipid ID=LMPK04000032, KEGG ID=C11991, METLIN ID=40996 ]" "(515.2875, 4831.3677)(516.2886, 1363.0575)(517.288, 336.14)" L-Olivosyl-oleandolide - 6.7695003 FindByFormula - C11991 LMPK04000032 516.2958 6.7695003 L-Olivosyl-oleandolide + 6.765143 "L-Olivosyl-oleandolide [ C26 H44 O10, db=85.70, tgt=, overall=85.70, Lipid ID=LMPK04000032, KEGG ID=C11991, METLIN ID=40996 ]" "(539.2838, 7120.336)(540.28644, 2178.8486)(541.2876, 1003.3544)(577.2244, 375.53)(561.2634, 2474.83)(562.2696, 497.05)(563.2768, 413.82)" L-Olivosyl-oleandolide + 6.765143 FindByFormula + C11991 LMPK04000032 538.2791 6.765143 L-Olivosyl-oleandolide + 6.7685 "L-Olivosyl-oleandolide [ C26 H44 O10, db=0.00, tgt=, overall=0.00, Lipid ID=LMPK04000032, KEGG ID=C11991, METLIN ID=40996 ]" "(517.2984, 3408.94)(517.7921, 304.84)(539.2826, 5549.19)(539.7733, 645.8)" L-Olivosyl-oleandolide + 6.7685 FindByFormula + C11991 LMPK04000032 1032.5856 6.7685 L-Olivosyl-oleandolide + 6.7753997 "L-Olivosyl-oleandolide [ C26 H44 O10, db=95.41, tgt=, overall=95.41, Lipid ID=LMPK04000032, KEGG ID=C11991, METLIN ID=40996 ]" "(517.2982, 8576.943)(518.2954, 2204.952)(519.28955, 508.2125)(555.2561, 520.69)(539.28345, 9192.055)(540.2866, 2526.2202)(541.28827, 846.09)" L-Olivosyl-oleandolide + 6.7753997 FindByFormula + C11991 LMPK04000032 516.2888 6.7753997 L-Olivosyl-oleandolide + 7.960143 "L-Olivosyl-oleandolide [ C26 H44 O10, mfg=95.83, db=95.86, tgt=, overall=95.85, Lipid ID=LMPK04000032, KEGG ID=C11991, METLIN ID=40996 ]" "(517.2963, 3501.3015)(518.29395, 635.9357)(519.2997, 629.7)(555.2594, 1416.908)(539.2831, 15251.811)(540.28674, 3910.137)(541.28357, 713.73505)" L-Olivosyl-oleandolide + 7.960143 FindByFormula + C11991 LMPK04000032 516.2875 7.960143 Lonchocarpin "Lonchocarpin [ C20 H18 O3, db=68.11, tgt=, overall=68.11, Lipid ID=LMPK12120012, METLIN ID=51818 ]" "(329.116, 2905.4849)(330.12244, 532.97)" Lonchocarpin FindByFormula + LMPK12120012 328.1095 12.137501 Longifolonine "Longifolonine [ C17 H15 N O4, db=72.57, tgt=, overall=72.57, CAS ID=77410-37-8, KEGG ID=C09569, METLIN ID=67811 ]" 77410-37-8 "(296.0935, 6272.695)(297.09442, 774.385)(298.08942, 371.555)" Longifolonine FindByFormula - C09569 297.1011 9.4165 Longistylin C "Longistylin C [ C20 H22 O, db=79.19, tgt=, overall=79.19, CAS ID=64125-60-6, HMP ID=HMDB38544, METLIN ID=93217 ]" 64125-60-6 "(301.1551, 1313.62)(302.15936, 324.19)" Longistylin C FindByFormula HMDB38544 + 300.1479 24.86 Loquatoside "Loquatoside [ C20 H22 O11, db=65.44, tgt=, overall=65.44, CAS ID=74046-15-4, HMP ID=HMDB41238, METLIN ID=95656 ]" 74046-15-4 "(439.1237, 4011.4749)(440.12665, 625.245)(441.12347, 731.91504)" Loquatoside FindByFormula HMDB41238 + 438.1175 0.98300004 Losartan "Losartan [ C22 H23 Cl N6 O, db=95.51, tgt=, overall=95.51, CAS ID=114798-26-4, KEGG ID=C07072, HMP ID=HMDB14816, METLIN ID=1031 ]" 114798-26-4 "(423.1705, 488323.4)(424.17422, 120415.555)(425.16794, 155655.9)(426.16922, 41158.957)(427.1733, 6191.797)(461.1261, 8457.515)(462.12762, 2342.675)(463.127, 3573.3801)(464.1231, 691.585)(465.11935, 342.385)(445.1519, 91267.66)(446.15433, 25577.545)(447.15097, 33495.52)(448.1511, 8103.34)(449.15585, 2078.3)" Losartan FindByFormula HMDB14816 + C07072 422.1618 10.475333 "Losartan Metabolite (1H-Imidazole-2-propanol, 4-chloro-5-(hydroxymethyl)-a-methyl-1-[[2'-(1H-tetrazo" "Losartan Metabolite (1H-Imidazole-2-propanol, 4-chloro-5-(hydroxymethyl)-a-methyl-1-[[2'-(1H-tetrazo [ C22 H23 Cl N6 O2, db=88.17, tgt=, overall=88.17, CAS ID=141675-57-2, METLIN ID=1033 ]" 141675-57-2 "(437.1499, 12374.805)(438.1524, 3166.795)(439.14764, 4483.545)" "Losartan Metabolite (1H-Imidazole-2-propanol, 4-chloro-5-(hydroxymethyl)-a-methyl-1-[[2'-(1H-tetrazo" FindByFormula - 438.1599 9.1405 Lovastatin acid (Mevinolinic acid) "Lovastatin acid (Mevinolinic acid) [ C24 H38 O6, db=82.47, tgt=, overall=82.47, METLIN ID=1037 ]" "(445.25516, 13180.391)(446.25623, 4283.26)(447.25726, 748.02496)" Lovastatin acid (Mevinolinic acid) FindByFormula + 444.2445 9.1375 "Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace" "Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace [ C21 H26 O9, db=59.14, tgt=, overall=59.14, CAS ID=88378-23-8, METLIN ID=1044 ]" 88378-23-8 "(421.15103, 1246.0688)(422.1542, 285.03113)(423.14914, 460.4183)" "Loxoprofen Metabolite (b-D-Glucopyranuronic acid, 1-[a-methyl-4-[(2-oxocyclopentyl)methyl]benzeneace" FindByFormula - 422.1576 12.700611 L-threo-Sphingosine C-18 "L-threo-Sphingosine C-18 [ C18 H37 N O2, db=82.32, tgt=, overall=82.32, CAS ID=25695-95-8, METLIN ID=45278 ]" 25695-95-8 "(300.2892, 4039.4265)(301.29135, 858.8367)" L-threo-Sphingosine C-18 FindByFormula + 299.282 10.901333 L-threo-Sphingosine C-18 + 10.91 "L-threo-Sphingosine C-18 [ C18 H37 N O2, db=78.39, tgt=, overall=78.39, CAS ID=25695-95-8, METLIN ID=45278 ]" 25695-95-8 "(300.2892, 3385.38)(301.29144, 835.88)" L-threo-Sphingosine C-18 + 10.91 FindByFormula + 299.2809 10.91 L-threo-Sphingosine C-18 + 12.801 "L-threo-Sphingosine C-18 [ C18 H37 N O2, db=94.38, tgt=, overall=94.38, CAS ID=25695-95-8, METLIN ID=45278 ]" 25695-95-8 "(300.29004, 3045.405)(301.293, 755.565)(302.29852, 137.0)" L-threo-Sphingosine C-18 + 12.801 FindByFormula + 299.2837 12.801 Lucidenic acid D2 "Lucidenic acid D2 [ C29 H38 O8, db=70.77, tgt=, overall=70.77, CAS ID=98665-16-8, HMP ID=HMDB36435, METLIN ID=91570 ]" 98665-16-8 "(515.2648, 3014.6233)(516.2703, 790.7867)" Lucidenic acid D2 FindByFormula HMDB36435 + 514.2586 24.021667 Lucidenolactone "Lucidenolactone [ C27 H36 O6, db=91.54, tgt=, overall=91.54, CAS ID=, HMP ID=HMDB30897, METLIN ID=87265 ]" "(455.24405, 11289.244)(456.24725, 3207.7039)(457.2433, 839.4375)" Lucidenolactone FindByFormula HMDB30897 - 456.2528 14.4125 Lucidenolactone - 13.452749 "Lucidenolactone [ C27 H36 O6, db=86.64, tgt=, overall=86.64, CAS ID=, HMP ID=HMDB30897, METLIN ID=87265 ]" "(455.24457, 1210.4349)(456.24762, 386.8975)(457.2459, 138.13)" Lucidenolactone - 13.452749 FindByFormula HMDB30897 - 456.2509 13.452749 Lucidenolactone - 13.469999 "Lucidenolactone [ C27 H36 O6, db=79.30, tgt=, overall=79.30, CAS ID=, HMP ID=HMDB30897, METLIN ID=87265 ]" "(455.24268, 1164.82)(456.2462, 396.208)(457.24475, 151.975)" Lucidenolactone - 13.469999 FindByFormula HMDB30897 - 456.2495 13.469999 Lucidenolactone - 13.646999 "Lucidenolactone [ C27 H36 O6, db=79.08, tgt=, overall=79.08, CAS ID=, HMP ID=HMDB30897, METLIN ID=87265 ]" "(455.24405, 1190.49)(456.24744, 324.81)(457.2452, 162.59)" Lucidenolactone - 13.646999 FindByFormula HMDB30897 - 456.252 13.646999 Lupinine "Lupinine [ C10 H19 N O, db=70.06, tgt=, overall=70.06, CAS ID=486-70-4, KEGG ID=C10773, METLIN ID=43880 ]" 486-70-4 "(170.15411, 1955.095)(171.1537, 332.015)" Lupinine FindByFormula + C10773 169.1458 4.0525 Lupinisoflavone L "Lupinisoflavone L [ C25 H24 O7, db=75.49, tgt=, overall=75.49, Lipid ID=LMPK12050275, METLIN ID=47782 ]" "(435.1434, 1329.2401)(436.14697, 379.15002)" Lupinisoflavone L FindByFormula - LMPK12050275 436.1516 10.810333 L-Urobilin "L-Urobilin [ C33 H46 N4 O6, db=99.34, tgt=, overall=99.34, CAS ID=34217-90-8, KEGG ID=C05793, HMP ID=HMDB04159, METLIN ID=7022 ]" 34217-90-8 "(1227.6367, 2069.8801)(1228.6262, 1982.025)(1229.615, 858.245)(1211.6644, 3094.9502)(1212.6683, 2409.1624)(1213.6744, 1319.2474)(595.34845, 573420.6)(596.3518, 212607.81)(597.354, 46238.566)(598.3555, 7710.94)(617.33057, 51870.5)(618.33356, 20270.424)(619.33765, 4732.5215)(620.3369, 1443.0875)" L-Urobilin FindByFormula HMDB04159 + C05793 594.3378 9.088693 L-Urobilin + 9.111626 "L-Urobilin [ C33 H46 N4 O6, db=97.24, tgt=, overall=97.24, CAS ID=34217-90-8, KEGG ID=C05793, HMP ID=HMDB04159, METLIN ID=7022 ]" 34217-90-8 "(1233.646, 5287.915)(1271.588, 5264.085)(1272.5929, 4000.2651)(1273.6138, 2181.05)(1255.6274, 3096.41)(1256.6353, 2319.1401)(1257.6266, 3202.75)(309.16595, 1622.2334)(309.66638, 657.3933)(310.16165, 771.11334)(617.3319, 59530.375)(618.33435, 23241.512)(619.33496, 5210.0337)(620.3373, 1156.472)(655.28625, 3790.0)(656.28424, 2066.13)(657.2876, 367.205)(639.3153, 14752.211)(640.3158, 5531.084)(641.327, 2413.61)" L-Urobilin + 9.111626 FindByFormula HMDB04159 + C05793 616.3217 9.111626 L-Urobilinogen "L-Urobilinogen [ C33 H48 N4 O6, db=93.32, tgt=, overall=93.32, CAS ID=17095-63-5, KEGG ID=C05789, HMP ID=HMDB04157, METLIN ID=58221 ]" 17095-63-5 "(619.34503, 46377.395)(620.3481, 18304.016)(621.3492, 4328.77)(622.3504, 1422.43)(641.32654, 5944.2935)(642.3249, 2100.11)" L-Urobilinogen FindByFormula HMDB04157 + C05789 618.3381 12.0199995 L-Urobilinogen + 12.034 "L-Urobilinogen [ C33 H48 N4 O6, db=92.30, tgt=, overall=92.30, CAS ID=17095-63-5, KEGG ID=C05789, HMP ID=HMDB04157, METLIN ID=58221 ]" 17095-63-5 "(597.3631, 29305.516)(598.36633, 11174.33)(599.3673, 2595.67)(600.3641, 372.935)(635.31195, 9516.64)(619.3451, 38459.53)(620.34766, 15416.67)(621.349, 3656.435)(622.3541, 1363.4)" L-Urobilinogen + 12.034 FindByFormula HMDB04157 + C05789 596.3572 12.034 L-Urobilinogen + 12.034 :1 "L-Urobilinogen [ C33 H48 N4 O6, db=43.98, tgt=, overall=43.98, CAS ID=17095-63-5, KEGG ID=C05789, HMP ID=HMDB04157, METLIN ID=58221 ]" 17095-63-5 "(597.36316, 28643.85)(598.36633, 10920.564)(599.36743, 2515.72)(619.3451, 37914.438)" L-Urobilinogen + 12.034 :1 FindByFormula HMDB04157 + C05789 596.3566 12.034 Lyciumoside II "Lyciumoside II [ C38 H64 O17, db=54.04, tgt=, overall=54.04, CAS ID=150396-01-3, HMP ID=HMDB39576, METLIN ID=94135 ]" 150396-01-3 "(815.406, 1438.12)(816.4049, 884.935)(408.2011, 317.45)" Lyciumoside II FindByFormula HMDB39576 + 407.2007 12.5465 Lyciumoside IX "Lyciumoside IX [ C35 H56 O15, db=63.82, tgt=, overall=63.82, CAS ID=212773-48-3, HMP ID=HMDB33502, METLIN ID=89319 ]" 212773-48-3 "(717.37024, 3594.43)(718.3716, 1907.995)(719.3677, 1127.975)" Lyciumoside IX FindByFormula HMDB33502 + 716.3606 8.2145 Lyciumoside VII "Lyciumoside VII [ C44 H74 O21, db=72.04, tgt=, overall=72.04, CAS ID=212773-44-9, HMP ID=HMDB33501, METLIN ID=89318 ]" 212773-44-9 "(470.24396, 753.365)(470.7461, 373.865)(939.482, 2706.5535)(940.48505, 1635.4766)(941.4885, 989.19336)" Lyciumoside VII FindByFormula HMDB33501 + 938.4731 11.3945 Lyngbyatoxin "Lyngbyatoxin [ C27 H39 N3 O2, db=68.14, tgt=, overall=68.14, CAS ID=70497-14-2, KEGG ID=C15720, METLIN ID=71051 ]" 70497-14-2 "(438.31006, 3465.045)(439.3106, 789.53)(440.32166, 333.445)" Lyngbyatoxin FindByFormula + C15720 437.3055 13.0060005 Lys Cys His "Lys Cys His [ C15 H26 N6 O4 S, db=85.81, tgt=, overall=85.81, METLIN ID=17979 ]" "(385.1676, 1582.8168)(386.16907, 327.90665)(387.17325, 117.795)" Lys Cys His FindByFormula - 386.1725 9.7456665 Lys Pro Lys "Lys Pro Lys [ C17 H33 N5 O4, db=51.56, tgt=, overall=51.56, METLIN ID=16458 ]" "(372.2608, 2507.0586)(373.26083, 523.37854)(374.2557, 492.41602)(410.2177, 252.50601)(394.24252, 1965.9114)(395.2452, 528.50714)" Lys Pro Lys FindByFormula + 371.2548 0.7394286 Lys Tyr "Lys Tyr [ C15 H23 N3 O4, db=80.52, tgt=, overall=80.52, METLIN ID=23850 ]" "(310.1756, 1331.26)(311.18076, 257.305)" Lys Tyr FindByFormula + 309.1687 2.3045 Lys Val Leu "Lys Val Leu [ C17 H34 N4 O4, db=70.84, tgt=, overall=70.84, METLIN ID=17969 ]" "(359.26465, 2950.2031)(360.2655, 775.90674)(381.24323, 1214.205)(382.2457, 769.29)" Lys Val Leu FindByFormula + 358.2563 2.5173333 Lys Val Leu + 2.5444999 "Lys Val Leu [ C17 H34 N4 O4, mfg=86.59, db=86.58, tgt=, overall=86.59, METLIN ID=17969 ]" "(359.26562, 6020.12)(360.2674, 1408.0)(361.2661, 460.44)(381.24335, 2193.305)(382.242, 478.83)(383.2537, 43.05)" Lys Val Leu + 2.5444999 FindByFormula + 358.2581 2.5444999 Lysergic acid "Lysergic acid [ C16 H16 N2 O2, db=95.23, tgt=, overall=95.23, CAS ID=82-58-6, KEGG ID=C07541, METLIN ID=66676 ]" 82-58-6 "(269.12735, 24929.414)(270.13058, 4233.108)(271.134, 494.7725)" Lysergic acid FindByFormula + C07541 268.1217 6.811333 Lys-Gln-Ala-Gly-Asp-Val "Lys-Gln-Ala-Gly-Asp-Val [ C25 H44 N8 O10, db=41.32, tgt=, overall=41.32, CAS ID=80755-87-9, METLIN ID=85172 ]" 80755-87-9 "(615.3099, 2784.22)(616.3126, 1040.625)(617.32495, 2597.97)(618.32935, 907.845)(619.3273, 246.655)" Lys-Gln-Ala-Gly-Asp-Val FindByFormula - 616.3185 11.9855 "LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))" "LysoPE(0:0/18:4(6Z,9Z,12Z,15Z)) [ C23 H40 N O7 P, db=87.28, tgt=, overall=87.28, HMP ID=HMDB11480, METLIN ID=62268 ]" "(472.24545, 1953.195)(473.249, 636.25)(474.252, 180.78)" "LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))" FindByFormula HMDB11480 - 473.2533 7.2975 LysoPE(0:0/20:0) "LysoPE(0:0/20:0) [ C25 H52 N O7 P, db=95.02, tgt=, overall=95.02, HMP ID=HMDB11481, METLIN ID=62269 ]" "(510.3552, 6784.553)(511.3535, 1914.6147)(512.3539, 540.1945)(548.3067, 753.6473)(532.33795, 15153.191)(533.34015, 4357.8584)(534.3403, 1001.13116)(535.3414, 517.75665)" LysoPE(0:0/20:0) FindByFormula HMDB11481 + 509.3475 15.963625 LysoPE(0:0/20:0) + 15.955528 "LysoPE(0:0/20:0) [ C25 H52 N O7 P, db=96.95, tgt=, overall=96.95, HMP ID=HMDB11481, METLIN ID=62269 ]" "(532.3384, 16136.731)(533.3405, 4598.227)(534.344, 632.272)" LysoPE(0:0/20:0) + 15.955528 FindByFormula HMDB11481 + 531.3303 15.955528 LysoPE(0:0/20:0) + 15.957399 "LysoPE(0:0/20:0) [ C25 H52 N O7 P, db=84.83, tgt=, overall=84.83, HMP ID=HMDB11481, METLIN ID=62269 ]" "(532.33734, 15715.256)(533.3396, 4501.9927)(534.3369, 1623.2876)" LysoPE(0:0/20:0) + 15.957399 FindByFormula HMDB11481 + 531.3297 15.957399 LysoPE(0:0/20:0) + 15.9626665 "LysoPE(0:0/20:0) [ C25 H52 N O7 P, db=78.62, tgt=, overall=78.62, HMP ID=HMDB11481, METLIN ID=62269 ]" "(510.35455, 7162.6265)(511.35367, 1903.5975)(532.33673, 19318.127)(533.3391, 5443.837)" LysoPE(0:0/20:0) + 15.9626665 FindByFormula HMDB11481 + 509.3459 15.9626665 LysoPE(0:0/20:1(11Z)) "LysoPE(0:0/20:1(11Z)) [ C25 H50 N O7 P, db=50.82, tgt=, overall=50.82, HMP ID=HMDB11482, METLIN ID=62270 ]" "(530.3194, 7591.817)(531.3171, 2365.9534)(532.3142, 734.6)(552.3004, 4825.53)(553.3093, 1938.45)(554.2951, 508.52)" LysoPE(0:0/20:1(11Z)) FindByFormula HMDB11482 + 529.31 8.387666 "LysoPE(0:0/20:3(8Z,11Z,14Z))" "LysoPE(0:0/20:3(8Z,11Z,14Z)) [ C25 H46 N O7 P, db=87.65, tgt=, overall=87.65, HMP ID=HMDB11486, METLIN ID=62274 ]" "(526.2881, 15301.408)(527.2915, 4269.8994)(528.29095, 930.19934)" "LysoPE(0:0/20:3(8Z,11Z,14Z))" FindByFormula HMDB11486 + 525.2827 16.801624 "LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))" "LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z)) [ C25 H42 N O7 P, db=51.49, tgt=, overall=51.49, HMP ID=HMDB11489, METLIN ID=62277 ]" "(522.2596, 1076.235)(523.2573, 478.38)" "LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))" FindByFormula HMDB11489 + 521.2494 13.8715 "LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))" "LysoPE(0:0/22:4(7Z,10Z,13Z,16Z)) [ C27 H48 N O7 P, db=76.67, tgt=, overall=76.67, HMP ID=HMDB11493, METLIN ID=62281 ]" "(528.3087, 4072.725)(529.3121, 1321.2051)" "LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))" FindByFormula HMDB11493 - 529.3154 8.526501 LysoPE(18:1(11Z)/0:0) "LysoPE(18:1(11Z)/0:0) [ C23 H46 N O7 P, db=95.17, tgt=, overall=95.17, HMP ID=HMDB11505, METLIN ID=62291 ]" "(959.6199, 436.08)(960.6202, 262.91)(997.5776, 340.64)(998.5871, 162.6)(480.30826, 22406.682)(481.30957, 5755.407)(482.30994, 645.5967)(502.29037, 25080.506)(503.29166, 6658.7085)(504.29428, 1366.0264)(505.2792, 349.29)" LysoPE(18:1(11Z)/0:0) FindByFormula HMDB11505 + 479.3009 15.0852375 LysoPE(18:1(11Z)/0:0) + 14.7894 "LysoPE(18:1(11Z)/0:0) [ C23 H46 N O7 P, db=82.02, tgt=, overall=82.02, HMP ID=HMDB11505, METLIN ID=62291 ]" "(502.2919, 5130.1553)(503.29062, 1362.9181)(504.29337, 477.07404)(540.2447, 333.35)(524.2752, 1824.8887)(525.2829, 934.26324)" LysoPE(18:1(11Z)/0:0) + 14.7894 FindByFormula HMDB11505 + 501.2848 14.7894 LysoPE(18:1(11Z)/0:0) + 15.109937 "LysoPE(18:1(11Z)/0:0) [ C23 H46 N O7 P, mfg=94.26, db=96.36, tgt=, overall=48.18, HMP ID=HMDB11505, METLIN ID=62291 ]" "(959.61774, 225.435)(480.30856, 19725.357)(481.31003, 5371.492)(482.30963, 688.896)(502.29102, 23453.418)(503.29236, 6354.636)(504.29523, 1379.9299)(505.2836, 199.38)" LysoPE(18:1(11Z)/0:0) + 15.109937 FindByFormula HMDB11505 + 479.3018 15.109937 LysoPE(20:1(11Z)/0:0) "LysoPE(20:1(11Z)/0:0) [ C25 H50 N O7 P, db=77.28, tgt=, overall=77.28, HMP ID=HMDB11512, METLIN ID=62297 ]" "(530.32306, 5425.3154)(531.3255, 1556.1259)" LysoPE(20:1(11Z)/0:0) FindByFormula HMDB11512 + 529.3135 14.379714 LysoPE(20:1(11Z)/0:0) + 14.341249 "LysoPE(20:1(11Z)/0:0) [ C25 H50 N O7 P, db=90.21, tgt=, overall=90.21, HMP ID=HMDB11512, METLIN ID=62297 ]" "(508.338, 3985.33)(509.3395, 1264.255)(530.3229, 6237.745)(531.3254, 1719.2424)(532.32135, 476.73)" LysoPE(20:1(11Z)/0:0) + 14.341249 FindByFormula HMDB11512 + 507.3303 14.341249 "LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" "LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) [ C27 H44 N O7 P, db=67.95, tgt=, overall=67.95, HMP ID=HMDB11526, METLIN ID=62310 ]" "(526.2921, 19928.371)(527.3025, 4946.442)" "LysoPE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)" FindByFormula HMDB11526 + 525.2847 7.8128 Lys-Trp-OH "Lys-Trp-OH [ C22 H24 N4 O6, db=75.25, tgt=, overall=75.25, METLIN ID=65039 ]" "(463.15884, 4435.215)(464.16354, 1349.17)" Lys-Trp-OH FindByFormula + 462.151 7.0474997 Lysyl-Phenylalanine "Lysyl-Phenylalanine [ C15 H23 N3 O3, mfg=61.45, db=61.39, tgt=, overall=61.42, CAS ID=, HMP ID=HMDB28958, METLIN ID=85860 ]" "(294.18182, 3315.325)(295.18243, 1005.03)" Lysyl-Phenylalanine FindByFormula HMDB28958 + 293.1737 1.498 M(IP)2C(t20:0/26:0(2OH)) "M(IP)2C(t20:0/26:0(2OH)) [ C64 H125 N O26 P2, db=72.21, tgt=, overall=72.21, Lipid ID=LMSP03030143, METLIN ID=103272 ]" "(1364.82, 1946.775)(1365.8279, 1378.875)(1366.8406, 1466.94)(1403.7535, 564.63)(1386.808, 3112.7634)(1387.799, 2345.2434)(1388.8057, 982.4133)" M(IP)2C(t20:0/26:0(2OH)) FindByFormula + LMSP03030143 1363.8209 7.1270003 M(IP)2C(t20:0/26:0(2OH)) + 7.1134996 "M(IP)2C(t20:0/26:0(2OH)) [ C64 H125 N O26 P2, db=78.63, tgt=, overall=78.63, Lipid ID=LMSP03030143, METLIN ID=103272 ]" "(1386.8053, 4091.73)(1387.8076, 2971.805)(1388.8048, 1763.4099)(1408.7999, 151.8)" M(IP)2C(t20:0/26:0(2OH)) + 7.1134996 FindByFormula + LMSP03030143 1385.8011 7.1134996 Macrozamin "Macrozamin [ C13 H24 N2 O11, db=65.36, tgt=, overall=65.36, CAS ID=6327-93-1, KEGG ID=C08504, METLIN ID=67026 ]" 6327-93-1 "(369.17035, 757.27606)(407.12695, 1293.8301)(408.13004, 362.08713)" Macrozamin FindByFormula + C08504 368.161 14.865286 Macrozamin + 14.8475 "Macrozamin [ C13 H24 N2 O11, db=58.54, tgt=, overall=58.54, CAS ID=6327-93-1, KEGG ID=C08504, METLIN ID=67026 ]" 6327-93-1 "(407.12604, 2251.7275)(408.12897, 702.26495)" Macrozamin + 14.8475 FindByFormula + C08504 406.1178 14.8475 Magnesium protoporphyrin "Magnesium protoporphyrin [ C34 H32 Mg N4 O4, db=49.57, tgt=, overall=49.57, CAS ID=, KEGG ID=C03516, METLIN ID=63940 ]" "(583.22253, 2853.55)(584.22577, 883.005)" Magnesium protoporphyrin FindByFormula - C03516 584.2288 6.9525 Majoroside F3 "Majoroside F3 [ C42 H72 O14, db=84.69, tgt=, overall=84.69, CAS ID=114019-98-6, HMP ID=HMDB30887, METLIN ID=87255 ]" 114019-98-6 "(801.4964, 4296.619)(802.49994, 1941.9559)(803.4997, 663.8684)" Majoroside F3 FindByFormula HMDB30887 + 800.489 15.634079 Majoroside F3 + 15.634 "Majoroside F3 [ C42 H72 O14, db=79.97, tgt=, overall=79.97, CAS ID=114019-98-6, HMP ID=HMDB30887, METLIN ID=87255 ]" 114019-98-6 "(801.49554, 4657.6426)(802.4996, 2101.4348)(803.5003, 816.4473)" Majoroside F3 + 15.634 FindByFormula HMDB30887 + 800.4869 15.634 Makisterone A "Makisterone A [ C28 H46 O7, db=26.19, tgt=, overall=26.19, CAS ID=20137-14-8, Lipid ID=, KEGG ID=C16874, HMP ID=, METLIN ID=71399, AGILENTID=29267 ]" 20137-14-8 "(517.3118, 3355.14)(518.3094, 1042.8467)(519.3014, 679.48)" Makisterone A FindByFormula + C16874 516.309 8.399 Malyngamide H "Malyngamide H [ C26 H41 N O4, db=67.93, tgt=, overall=67.93, METLIN ID=65446 ]" "(432.3105, 1939.388)(433.30713, 698.20197)(434.3143, 220.85332)" Malyngamide H FindByFormula + 431.3008 11.523 Malyngamide H + 10.25 "Malyngamide H [ C26 H41 N O4, db=72.15, tgt=, overall=72.15, METLIN ID=65446 ]" "(432.31116, 5474.3896)(433.31146, 1798.275)" Malyngamide H + 10.25 FindByFormula + 431.3027 10.25 Malyngamide H + 11.542834 "Malyngamide H [ C26 H41 N O4, mfg=84.94, db=84.92, tgt=, overall=84.93, METLIN ID=65446 ]" "(432.31155, 2108.6116)(433.31006, 723.75494)(434.3155, 155.76999)" Malyngamide H + 11.542834 FindByFormula + 431.3017 11.542834 Malyngamide T "Malyngamide T [ C25 H38 Cl N O5, db=62.64, tgt=, overall=62.64, METLIN ID=65411 ]" "(468.25012, 2458.6748)(469.24908, 717.25)(470.24628, 630.82)" Malyngamide T FindByFormula + 467.2402 8.722 Matesaponin 5 "Matesaponin 5 [ C65 H106 O31, db=94.48, tgt=, overall=94.48, CAS ID=178330-60-4, HMP ID=HMDB41355, METLIN ID=95761 ]" 178330-60-4 "(1405.66, 18564.262)(1406.6667, 12694.186)(1407.6698, 6251.22)(1408.6753, 1816.7075)(1409.6903, 850.91)(1443.6112, 1569.9)(1444.6237, 1342.4033)(1445.6282, 947.795)(1427.6401, 2930.5852)(1428.6455, 2344.19)(1429.6427, 1098.5825)(1430.65, 986.12)" Matesaponin 5 FindByFormula HMDB41355 + 1404.649 7.62525 "MC-207,110" "MC-207,110 [ C25 H30 N6 O2, db=72.62, tgt=, overall=72.62, KEGG ID=C11602, METLIN ID=69123 ]" "(445.2363, 1694.185)(446.23462, 429.58502)" "MC-207,110" FindByFormula - C11602 446.2429 7.9475 m-Coumaric acid "m-Coumaric acid [ C9 H8 O3, db=90.77, tgt=, overall=90.77, CAS ID=588-30-7, KEGG ID=C12621, HMP ID=HMDB01713, METLIN ID=305 ]" 588-30-7 "(165.05534, 46314.95)(166.06021, 4874.5913)(167.06487, 818.3127)" m-Coumaric acid FindByFormula HMDB01713 + C12621 164.0485 1.1508095 MDL 74156 glucuronide "MDL 74156 glucuronide [ C25 H32 N2 O8, db=68.80, tgt=, overall=68.80, CAS ID=, METLIN ID=2368 ]" "(1043.3829, 489.18)(511.2038, 4287.52)(512.2062, 1655.515)(513.2112, 1151.94)(533.186, 3806.59)(534.1892, 1016.8)(535.1958, 581.8)" MDL 74156 glucuronide FindByFormula + 510.1939 12.328501 MDL 74156 glucuronide + 13.074 "MDL 74156 glucuronide [ C25 H32 N2 O8, db=69.52, tgt=, overall=69.52, CAS ID=, METLIN ID=2368 ]" "(511.2057, 1475.39)(512.20667, 378.45502)(513.2066, 255.95)" MDL 74156 glucuronide + 13.074 FindByFormula + 510.1996 13.074 "Mebeverine metabolite (1-Butanol, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]- glucuronide)" "Mebeverine metabolite (1-Butanol, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]- glucuronide) [ C22 H35 N O8, db=79.23, tgt=, overall=79.23, METLIN ID=1081 ]" "(440.22906, 3874.995)(441.23193, 1059.48)(442.22803, 476.84998)" "Mebeverine metabolite (1-Butanol, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]- glucuronide)" FindByFormula - 441.236 25.5195 Mebeverine metabolite (Veratric acid glucuronide) "Mebeverine metabolite (Veratric acid glucuronide) [ C15 H18 O10, db=66.74, tgt=, overall=66.74, CAS ID=19237-57-1, METLIN ID=1082 ]" 19237-57-1 "(381.08038, 2514.045)(382.08194, 504.17502)(383.07666, 381.92)" Mebeverine metabolite (Veratric acid glucuronide) FindByFormula + 380.0725 0.93799996 Mefenamic acid metabolite "Mefenamic acid metabolite [ C15 H15 N O3, db=78.52, tgt=, overall=78.52, CAS ID=5129-20-4, HMP ID=, METLIN ID=1099 ]" 5129-20-4 "(258.1095, 505.33)(280.09372, 1487.7035)(281.0952, 214.34001)" Mefenamic acid metabolite FindByFormula + 257.1048 1.468 Megastachine "Megastachine [ C20 H29 N O3, db=76.02, tgt=, overall=76.02, CAS ID=72049-07-1, KEGG ID=C09888, METLIN ID=67987 ]" 72049-07-1 "(330.206, 3860.0298)(331.2092, 699.2369)" Megastachine FindByFormula - C09888 331.2118 7.8173065 Melleolide D "Melleolide D [ C24 H31 Cl O8, db=58.91, tgt=, overall=58.91, CAS ID=101922-80-9, HMP ID=HMDB37042, METLIN ID=92021 ]" 101922-80-9 "(505.16055, 1494.1234)(506.16345, 617.2133)" Melleolide D FindByFormula HMDB37042 + 504.1533 10.521333 Meprobamate "Meprobamate [ C9 H18 N2 O4, db=83.40, tgt=, overall=83.40, METLIN ID=43245 ]" "(219.13432, 4230.016)(220.13696, 583.57404)(221.1346, 304.3)(257.0908, 560.55)(241.11575, 2942.6738)(242.11845, 558.59503)" Meprobamate FindByFormula + 218.1279 1.9296 Meprobamate + 1.91 "Meprobamate [ C9 H18 N2 O4, db=79.41, tgt=, overall=79.41, METLIN ID=43245 ]" "(219.13475, 8313.05)(220.1367, 1199.8501)(241.116, 8488.81)(242.1163, 1043.01)" Meprobamate + 1.91 FindByFormula + 218.1281 1.91 Meprobamate + 1.9166666 "Meprobamate [ C9 H18 N2 O4, db=68.18, tgt=, overall=68.18, METLIN ID=43245 ]" "(241.11687, 3202.577)(242.11084, 123.59666)(243.1056, 107.29)" Meprobamate + 1.9166666 FindByFormula + 240.1084 1.9166666 Mesaconitine "Mesaconitine [ C33 H45 N O11, db=58.47, tgt=, overall=58.47, CAS ID=2752-64-9, KEGG ID=C08698, METLIN ID=67132 ]" 2752-64-9 "(654.29114, 7430.253)(655.29236, 2803.8557)(656.28217, 2499.4182)(657.2773, 266.27)" Mesaconitine FindByFormula + C08698 653.2843 14.757538 Mesembrinol "Mesembrinol [ C17 H25 N O3, db=54.82, tgt=, overall=54.82, CAS ID=23544-42-5, KEGG ID=C09225, METLIN ID=67532 ]" 23544-42-5 "(627.3369, 563.09)(314.17392, 2671.3435)(315.1756, 879.95)(316.1674, 707.26)(352.1187, 362.75)" Mesembrinol FindByFormula + C09225 313.1624 1.1276666 Mesobilirubinogen "Mesobilirubinogen [ C33 H44 N4 O6, db=66.71, tgt=, overall=66.71, CAS ID=14684-37-8, KEGG ID=C05790, HMP ID=HMDB01898, METLIN ID=58064 ]" 14684-37-8 "(593.33307, 26588.135)(594.33606, 10963.186)(595.3435, 3225.24)(596.3493, 1693.85)(615.31604, 29167.05)(616.316, 12773.407)(617.3245, 9097.05)" Mesobilirubinogen FindByFormula HMDB01898 + C05790 592.3287 12.012166 Mesobilirubinogen + 11.891001 "Mesobilirubinogen [ C33 H44 N4 O6, db=63.65, tgt=, overall=63.65, CAS ID=14684-37-8, KEGG ID=C05790, HMP ID=HMDB01898, METLIN ID=58064 ]" 14684-37-8 "(1267.5518, 880.81)(1268.5555, 508.49)(1251.5776, 802.51)(1252.588, 514.15)(308.1577, 698.31)(308.6633, 367.96)(615.3145, 30060.207)(616.31476, 12791.746)(617.3247, 10942.05)(618.33, 1902.41)(653.2636, 7859.36)(654.2674, 2344.39)(655.279, 437.16)" Mesobilirubinogen + 11.891001 FindByFormula HMDB01898 + C05790 614.3088 11.891001 Mesoporphyrin IX "Mesoporphyrin IX [ C34 H38 N4 O4, db=86.80, tgt=, overall=86.80, CAS ID=493-90-3, HMP ID=HMDB02379, METLIN ID=6655 ]" 493-90-3 "(567.29553, 9856.75)(568.29626, 4076.865)(569.3069, 881.645)" Mesoporphyrin IX FindByFormula HMDB02379 + 566.2887 18.911999 Mesuagin "Mesuagin [ C24 H22 O5, db=80.17, tgt=, overall=80.17, Lipid ID=LMPK12100030, METLIN ID=48391 ]" "(413.13742, 2418.8733)(414.13907, 717.01666)(415.13635, 246.145)" Mesuagin FindByFormula + LMPK12100030 412.1303 10.760667 Mesuagin + 10.7630005 "Mesuagin [ C24 H22 O5, db=79.90, tgt=, overall=79.90, Lipid ID=LMPK12100030, METLIN ID=48391 ]" "(413.1374, 2626.9448)(414.14032, 860.62)(415.1374, 272.05)" Mesuagin + 10.7630005 FindByFormula + LMPK12100030 412.1309 10.7630005 Mesuol "Mesuol [ C24 H24 O5, db=72.25, tgt=, overall=72.25, Lipid ID=LMPK12100019, METLIN ID=48380 ]" "(415.15204, 1970.46)(416.15085, 433.91998)" Mesuol FindByFormula + LMPK12100019 414.1449 11.3215 Met His Phe "Met His Phe [ C20 H27 N5 O4 S, db=47.03, tgt=, overall=47.03, METLIN ID=18794 ]" "(456.16846, 2579.7349)(457.1781, 778.79004)" Met His Phe FindByFormula + 455.162 13.008 Met Thr Met "Met Thr Met [ C14 H27 N3 O5 S2, db=52.09, tgt=, overall=52.09, METLIN ID=16948 ]" "(382.15228, 1072.48)(383.1455, 209.44)(384.1357, 164.74)(404.12933, 1454.546)(405.13364, 631.64)" Met Thr Met FindByFormula + 381.1406 1.2864001 Methohexital "Methohexital [ C14 H18 N2 O3, db=69.72, tgt=, overall=69.72, CAS ID=, KEGG ID=C07844, METLIN ID=43252 ]" "(263.13968, 2072.0366)(264.13736, 451.4733)" Methohexital FindByFormula + C07844 262.1323 6.0839996 Methsuximide "Methsuximide [ C12 H13 N O2, db=78.09, tgt=, overall=78.09, METLIN ID=43255 ]" "(204.1027, 3897.58)(205.1028, 566.56665)" Methsuximide FindByFormula + 203.0952 6.601667 "Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate" "Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate [ C26 H32 O3, db=72.38, tgt=, overall=72.38, CAS ID=201996-49-8, HMP ID=HMDB31977, METLIN ID=88088 ]" 201996-49-8 "(415.22382, 1580.775)(416.2324, 398.425)" "Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate" FindByFormula HMDB31977 + 414.2159 6.669 "Methyl (E)-4-((3aS)-6-methoxy-1-methyl-5-oxo-2,3,5,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-2-methylbut-2-enoate" "Methyl (E)-4-((3aS)-6-methoxy-1-methyl-5-oxo-2,3,5,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-2-methylbut-2-enoate [ C18 H22 N2 O4, db=69.79, tgt=, overall=69.79, METLIN ID=264021 ]" "(661.32434, 442.555)(331.16415, 3636.8318)(332.1678, 1069.0934)(353.149, 2439.89)(354.1521, 368.39)" "Methyl (E)-4-((3aS)-6-methoxy-1-methyl-5-oxo-2,3,5,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl)-2-methylbut-2-enoate" FindByFormula + 330.1632 8.536 Methyl ?-Linolenyl Fluorophosphonate "Methyl ?-Linolenyl Fluorophosphonate [ C19 H34 F O2 P, db=80.30, tgt=, overall=80.30, METLIN ID=63065 ]" "(345.23456, 7335.6953)(346.2367, 1657.8601)" Methyl ?-Linolenyl Fluorophosphonate FindByFormula + 344.2235 17.53 "Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester" "Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester [ C29 H42 O19, db=71.00, tgt=, overall=71.00, CAS ID=234761-04-7, HMP ID=HMDB34756, METLIN ID=90182 ]" 234761-04-7 "(673.2615, 2086.0735)(674.26373, 995.70996)(675.26324, 607.3667)(711.2163, 909.49)(712.21094, 373.72998)(695.24164, 3000.0498)(696.2446, 1458.4899)(697.23126, 469.6)" "Methyl 3,4,5-trimethoxycinnamate [arabinosyl-(1-3)-[glucosyl-(1-6)]-glucosyl] ester" FindByFormula HMDB34756 + 672.2541 1.893 "Methyl 3beta-acetoxy-2,6-dihydroxy-8alpha,30alpha-epoxy-1-oxomeliacate" "Methyl 3beta-acetoxy-2,6-dihydroxy-8alpha,30alpha-epoxy-1-oxomeliacate [ C29 H36 O11, db=87.44, tgt=, overall=87.44, CAS ID=205518-98-5, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29113 ]" 205518-98-5 "(1143.4452, 1387.12)(1144.4425, 1013.3)(561.2312, 10795.048)(562.2353, 3614.53)(563.23236, 1017.13995)(564.2445, 223.435)(583.217, 7241.925)(584.21533, 1984.935)(585.21234, 741.6966)" "Methyl 3beta-acetoxy-2,6-dihydroxy-8alpha,30alpha-epoxy-1-oxomeliacate" FindByFormula + 560.2226 11.403 Methyl 6-hydroxyangolensate "Methyl 6-hydroxyangolensate [ C27 H34 O8, db=99.04, tgt=, overall=99.04, CAS ID=22255-07-8, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=43666, AGILENTID=29444 ]" 22255-07-8 "(485.2182, 7835.665)(486.2213, 2282.8599)(487.22638, 467.505)" Methyl 6-hydroxyangolensate FindByFormula - 486.227 9.712 Methyl cellulose "Methyl cellulose [ C20 H38 O11, db=29.91, tgt=, overall=29.91, CAS ID=9004-67-5, HMP ID=HMDB29925, METLIN ID=86592 ]" 9004-67-5 "(477.2328, 1454.05)(478.24634, 462.13)" Methyl cellulose FindByFormula HMDB29925 + 476.2286 7.5345 Methyl cellulose + 7.3564997 "Methyl cellulose [ C20 H38 O11, db=80.92, tgt=, overall=80.92, CAS ID=9004-67-5, HMP ID=HMDB29925, METLIN ID=86592 ]" 9004-67-5 "(931.4699, 678.27)(455.25073, 6394.3047)(456.25592, 1611.9)(457.2541, 568.5)(493.2118, 228.38)(477.23615, 5612.925)(478.239, 1559.065)(479.2367, 960.175)" Methyl cellulose + 7.3564997 FindByFormula HMDB29925 + 454.2443 7.3564997 Methyl gamboginate "Methyl gamboginate [ C39 H47 Cl O7, db=58.65, tgt=, overall=58.65, CAS ID=1005152-66-8, METLIN ID=44534 ]" 1005152-66-8 "(661.29456, 2219.56)(662.2971, 900.44495)" Methyl gamboginate FindByFormula - 662.303 9.182 Methylconiine "Methylconiine [ C9 H19 N, db=82.54, tgt=, overall=82.54, CAS ID=35305-13-6, KEGG ID=C10159, METLIN ID=68163 ]" 35305-13-6 "(142.15881, 1971.705)(143.16199, 286.28)" Methylconiine FindByFormula + C10159 141.1511 26.168 Methylconiine + 25.297333 "Methylconiine [ C9 H19 N, db=75.42, tgt=, overall=75.42, CAS ID=35305-13-6, KEGG ID=C10159, METLIN ID=68163 ]" 35305-13-6 "(142.159, 1821.2467)(143.16293, 312.61)" Methylconiine + 25.297333 FindByFormula + C10159 141.1515 25.297333 Methylconiine + 25.800999 "Methylconiine [ C9 H19 N, db=86.11, tgt=, overall=86.11, CAS ID=35305-13-6, KEGG ID=C10159, METLIN ID=68163 ]" 35305-13-6 "(142.15889, 1773.2039)(143.16194, 223.158)" Methylconiine + 25.800999 FindByFormula + C10159 141.1511 25.800999 Methyldopexamine sulfate "Methyldopexamine sulfate [ C23 H34 N2 O5 S, db=83.15, tgt=, overall=83.15, CAS ID=, METLIN ID=2392 ]" "(451.22427, 9789.216)(452.2252, 2460.1619)(453.2238, 673.1)(473.2026, 8087.51)(474.2075, 1658.5468)(475.20688, 514.91)" Methyldopexamine sulfate FindByFormula + 450.2145 7.6393332 Methyldopexamine sulfate + 8.109667 "Methyldopexamine sulfate [ C23 H34 N2 O5 S, db=62.22, tgt=, overall=62.22, CAS ID=, METLIN ID=2392 ]" "(451.22485, 15723.069)(452.2262, 4537.7544)(473.21027, 5153.008)(474.20633, 1119.1326)(475.21545, 678.07745)" Methyldopexamine sulfate + 8.109667 FindByFormula + 450.2154 8.109667 Metronidazole "Metronidazole [ C6 H9 N3 O3, db=96.66, tgt=, overall=96.66, CAS ID=443-48-1, KEGG ID=C07203, METLIN ID=573 ]" 443-48-1 "(172.07213, 166357.28)(173.0759, 11916.426)(174.07623, 1562.8569)" Metronidazole FindByFormula + C07203 171.0653 3.1909616 "MG(0:0/18:3(6Z,9Z,12Z)/0:0)" "MG(0:0/18:3(6Z,9Z,12Z)/0:0) [ C21 H36 O4, db=95.23, tgt=, overall=95.23, HMP ID=HMDB11539, METLIN ID=62323 ]" "(375.2494, 56193.79)(376.25272, 13719.005)(377.25458, 2070.5776)" "MG(0:0/18:3(6Z,9Z,12Z)/0:0)" FindByFormula HMDB11539 + 374.2423 17.599068 "MG(0:0/18:3(6Z,9Z,12Z)/0:0) + 17.601002" "MG(0:0/18:3(6Z,9Z,12Z)/0:0) [ C21 H36 O4, db=96.04, tgt=, overall=96.04, HMP ID=HMDB11539, METLIN ID=62323 ]" "(375.24954, 56678.93)(376.25284, 13835.827)(377.2545, 2071.467)" "MG(0:0/18:3(6Z,9Z,12Z)/0:0) + 17.601002" FindByFormula HMDB11539 + 374.2428 17.601002 "MG(0:0/18:3(6Z,9Z,12Z)/0:0) + 17.602636" "MG(0:0/18:3(6Z,9Z,12Z)/0:0) [ C21 H36 O4, db=98.24, tgt=, overall=98.24, HMP ID=HMDB11539, METLIN ID=62323 ]" "(375.24997, 52807.24)(376.2532, 12879.815)(377.25528, 1997.6804)(378.25735, 461.3075)" "MG(0:0/18:3(6Z,9Z,12Z)/0:0) + 17.602636" FindByFormula HMDB11539 + 374.243 17.602636 "MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))" "MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)) [ C47 H74 O10, db=73.85, tgt=, overall=73.85, Lipid ID=LMGL05010013, METLIN ID=46649 ]" "(821.52094, 1678.1632)(822.52386, 969.18)(823.52374, 477.33)" "MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z))" FindByFormula + LMGL05010013 820.5124 12.971001 Microlenin "Microlenin [ C29 H34 O7, db=76.86, tgt=, overall=76.86, CAS ID=60622-41-5, KEGG ID=C09510, METLIN ID=67762 ]" 60622-41-5 "(517.2197, 4620.9243)(518.2242, 1405.9258)(519.2197, 636.62286)(520.2229, 272.83)(539.2008, 699.32)(540.20575, 272.26334)" Microlenin FindByFormula + C09510 516.2118 12.2699995 Microlenin - 11.2965 "Microlenin [ C29 H34 O7, db=74.65, tgt=, overall=74.65, CAS ID=60622-41-5, KEGG ID=C09510, METLIN ID=67762 ]" 60622-41-5 "(493.2225, 1131.98)(494.2261, 404.08002)" Microlenin - 11.2965 FindByFormula - C09510 494.229 11.2965 Microlenin + 12.2488 "Microlenin [ C29 H34 O7, db=81.83, tgt=, overall=81.83, CAS ID=60622-41-5, KEGG ID=C09510, METLIN ID=67762 ]" 60622-41-5 "(517.2186, 7345.75)(518.223, 2238.91)(519.2202, 912.1359)(520.2076, 52.71)(555.1649, 167.45)(539.2004, 806.7)" Microlenin + 12.2488 FindByFormula + C09510 516.2117 12.2488 Microlenin + 12.310333 "Microlenin [ C29 H34 O7, db=87.72, tgt=, overall=87.72, CAS ID=60622-41-5, KEGG ID=C09510, METLIN ID=67762 ]" 60622-41-5 "(517.2198, 15625.624)(518.2232, 5707.4497)(519.2209, 1797.9366)(555.17114, 4112.645)" Microlenin + 12.310333 FindByFormula + C09510 516.2125 12.310333 Microlenin + 13.5753 "Microlenin [ C29 H34 O7, mfg=90.02, db=90.02, tgt=, overall=90.02, CAS ID=60622-41-5, KEGG ID=C09510, METLIN ID=67762 ]" 60622-41-5 "(495.23566, 7107.392)(496.23975, 2143.597)(497.23926, 451.67062)" Microlenin + 13.5753 FindByFormula + C09510 494.2304 13.5753 Microlenin + 13.578292 "Microlenin [ C29 H34 O7, mfg=85.54, db=85.53, tgt=, overall=85.53, CAS ID=60622-41-5, KEGG ID=C09510, METLIN ID=67762 ]" 60622-41-5 "(495.23526, 5949.0293)(496.23904, 1825.1328)(497.23682, 270.005)(517.21674, 194.07332)" Microlenin + 13.578292 FindByFormula + C09510 494.2271 13.578292 Microlenin + 14.100462 "Microlenin [ C29 H34 O7, mfg=82.62, db=82.61, tgt=, overall=82.62, CAS ID=60622-41-5, KEGG ID=C09510, METLIN ID=67762 ]" 60622-41-5 "(495.23538, 1952.2864)(496.24026, 620.6723)(497.2387, 199.78)" Microlenin + 14.100462 FindByFormula + C09510 494.2301 14.100462 Minabeolide-7 "Minabeolide-7 [ C28 H40 O5, db=73.11, tgt=, overall=73.11, Lipid ID=LMST01160008, METLIN ID=84275 ]" "(479.27603, 34573.465)(480.27966, 9832.629)(481.27484, 4387.719)(482.2764, 1165.1188)(483.2833, 153.88)" Minabeolide-7 FindByFormula + LMST01160008 478.2691 17.50331 Minabeolide-7 + 17.503643 "Minabeolide-7 [ C28 H40 O5, db=71.71, tgt=, overall=71.71, Lipid ID=LMST01160008, METLIN ID=84275 ]" "(479.2758, 34803.473)(480.27948, 9983.196)(481.2745, 4429.645)(482.27597, 1180.0013)" Minabeolide-7 + 17.503643 FindByFormula + LMST01160008 478.2686 17.503643 Minabeolide-7 + 17.521088 "Minabeolide-7 [ C28 H40 O5, db=73.12, tgt=, overall=73.12, Lipid ID=LMST01160008, METLIN ID=84275 ]" "(479.27606, 32018.69)(480.27982, 9107.305)(481.27472, 4082.4238)(482.27545, 1065.1125)" Minabeolide-7 + 17.521088 FindByFormula + LMST01160008 478.2697 17.521088 Minosaminomycin "Minosaminomycin [ C25 H46 N8 O10, db=71.99, tgt=, overall=71.99, CAS ID=51746-09-9, KEGG ID=C17969, METLIN ID=71965 ]" 51746-09-9 "(617.3268, 2423.2922)(618.3292, 892.7459)" Minosaminomycin FindByFormula - C17969 618.3326 11.9976 MIPC(d18:0/16:0) "MIPC(d18:0/16:0) [ C46 H90 N O16 P, db=51.33, tgt=, overall=51.33, Lipid ID=LMSP03030060, METLIN ID=103189 ]" "(942.5932, 1426.0149)(943.6013, 816.78)" MIPC(d18:0/16:0) FindByFormula - LMSP03030060 943.6095 7.447 Mirificin "Mirificin [ C26 H28 O13, db=63.71, tgt=, overall=63.71, Lipid ID=LMPK12050008, METLIN ID=47531 ]" "(549.16223, 1875.755)(550.16125, 809.125)(551.16516, 507.155)" Mirificin FindByFormula + LMPK12050008 548.1549 20.108002 Mitobronitol "Mitobronitol [ C6 H12 Br2 O4, db=54.64, tgt=, overall=54.64, CAS ID=488-41-5, KEGG ID=C13522, METLIN ID=69587 ]" 488-41-5 "(328.8991, 2871.18)(329.89786, 648.372)(330.89532, 718.573)" Mitobronitol FindByFormula + C13522 327.8916 27.109 Mitobronitol + 27.050142 "Mitobronitol [ C6 H12 Br2 O4, db=52.55, tgt=, overall=52.55, CAS ID=488-41-5, KEGG ID=C13522, METLIN ID=69587 ]" 488-41-5 "(328.89874, 3010.6587)(329.89682, 755.08575)(330.89603, 773.55286)" Mitobronitol + 27.050142 FindByFormula + C13522 327.8913 27.050142 Mometasone Furoate "Mometasone Furoate [ C27 H30 Cl2 O6, db=61.84, tgt=, overall=61.84, CAS ID=, KEGG ID=C07817, METLIN ID=43262 ]" "(543.13336, 2239.3367)(544.1346, 590.41)(545.1281, 367.5267)" Mometasone Furoate FindByFormula + C07817 542.124 0.86733335 Momordicoside E "Momordicoside E [ C37 H60 O12, db=50.34, tgt=, overall=50.34, CAS ID=78887-74-8, HMP ID=HMDB35697, METLIN ID=90958 ]" 78887-74-8 "(697.4145, 972.4367)(698.4107, 320.99)" Momordicoside E FindByFormula HMDB35697 + 696.4022 17.06 Momordicoside G "Momordicoside G [ C37 H60 O8, db=52.89, tgt=, overall=52.89, CAS ID=81371-54-2, HMP ID=HMDB35821, METLIN ID=91048 ]" 81371-54-2 "(655.421, 622.855)(656.42596, 176.445)" Momordicoside G FindByFormula HMDB35821 + 654.4173 2.3225002 Monapterin "Monapterin [ C9 H11 N5 O4, db=71.56, tgt=, overall=71.56, HMP ID=HMDB00838, METLIN ID=5801 ]" "(252.0729, 5931.08)(253.07599, 798.91003)(254.06924, 473.68)" Monapterin FindByFormula HMDB00838 - 253.0809 10.622 Moxidectin "Moxidectin [ C37 H53 N O8, db=71.83, tgt=, overall=71.83, CAS ID=113507-06-5, KEGG ID=D05084, METLIN ID=263534 ]" 113507-06-5 "(640.3841, 4782.61)(641.3847, 2215.8467)(642.38184, 882.31665)(662.3599, 705.87)" Moxidectin FindByFormula + D05084 639.3782 10.269668 MRE-269 "MRE-269 [ C25 H29 N3 O3, db=78.81, tgt=, overall=78.81, CAS ID=475085-57-5, METLIN ID=64702 ]" 475085-57-5 "(442.21106, 9783.247)(443.21652, 3092.7434)(444.2237, 742.845)(464.194, 820.76)" MRE-269 FindByFormula + 441.2018 10.975667 MRE-269 + 10.9755 "MRE-269 [ C25 H29 N3 O3, db=90.73, tgt=, overall=90.73, CAS ID=475085-57-5, METLIN ID=64702 ]" 475085-57-5 "(420.2298, 2363.44)(458.18256, 888.965)(442.20978, 10344.475)(443.21375, 3202.785)(444.2193, 957.1)" MRE-269 + 10.9755 FindByFormula + 419.2215 10.9755 Mupirocin "Mupirocin [ C26 H44 O9, db=79.18, tgt=, overall=79.18, CAS ID=12650-69-0, KEGG ID=C11758, HMP ID=HMDB14554, METLIN ID=43266 ]" 12650-69-0 "(523.28723, 4018.13)(524.29065, 1059.1001)(545.27216, 1346.63)" Mupirocin FindByFormula HMDB14554 + C11758 522.2815 10.487499 Mupirocin - 10.5145 "Mupirocin [ C26 H44 O9, db=77.55, tgt=, overall=77.55, CAS ID=12650-69-0, KEGG ID=C11758, HMP ID=HMDB14554, METLIN ID=43266 ]" 12650-69-0 "(499.2919, 2546.835)(500.29608, 736.05)" Mupirocin - 10.5145 FindByFormula HMDB14554 - C11758 500.2943 10.5145 Muricin E "Muricin E [ C33 H60 O7, db=93.26, tgt=, overall=93.26, CAS ID=, HMP ID=HMDB36974, METLIN ID=91962 ]" "(296.21655, 8089.878)(296.71838, 2833.0898)(297.21945, 873.22003)(591.42255, 58222.652)(592.42444, 20404.219)(593.42566, 5024.758)(594.427, 1011.49255)(613.4014, 13025.492)(614.4009, 4597.5996)(615.4075, 1218.4033)" Muricin E FindByFormula HMDB36974 + 590.4215 7.1705 Mycalamide B "Mycalamide B [ C25 H43 N O10, db=72.80, tgt=, overall=72.80, CAS ID=124512-46-5, KEGG ID=C17009, METLIN ID=71499 ]" 124512-46-5 "(259.65088, 4950.1655)(260.15314, 1582.322)" Mycalamide B FindByFormula + C17009 517.2905 15.4872 Mycinamicin IV "Mycinamicin IV [ C37 H61 N O11, db=67.02, tgt=, overall=67.02, CAS ID=73684-71-6, KEGG ID=C18846, METLIN ID=72608 ]" 73684-71-6 "(694.4185, 1025.0468)(695.4194, 337.56332)" Mycinamicin IV FindByFormula - C18846 695.4239 9.288667 Myriocin "Myriocin [ C21 H39 N O6, db=93.30, tgt=, overall=93.30, CAS ID=35891-70-4, Lipid ID=LMSP01080020, KEGG ID=C19914, METLIN ID=53920 ]" 35891-70-4 "(402.28592, 4277.6963)(403.28653, 1094.5416)(404.29102, 148.975)(424.2672, 915.83)" Myriocin FindByFormula + C19914 LMSP01080020 401.2772 9.773334 Myriocin + 9.805 "Myriocin [ C21 H39 N O6, db=90.46, tgt=, overall=90.46, CAS ID=35891-70-4, Lipid ID=LMSP01080020, KEGG ID=C19914, METLIN ID=53920 ]" 35891-70-4 "(402.28555, 4364.17)(403.28717, 1184.99)(404.2843, 220.255)" Myriocin + 9.805 FindByFormula + C19914 LMSP01080020 401.278 9.805 Myriocin + 9.805 :1 "Myriocin [ C21 H39 N O6, db=90.11, tgt=, overall=90.11, CAS ID=35891-70-4, Lipid ID=LMSP01080020, KEGG ID=C19914, METLIN ID=53920 ]" 35891-70-4 "(402.2858, 4302.1104)(403.2878, 1190.62)(404.2839, 217.20999)(424.2669, 595.47)" Myriocin + 9.805 :1 FindByFormula + C19914 LMSP01080020 401.2781 9.805 Myriocin + 9.805667 "Myriocin [ C21 H39 N O6, db=84.14, tgt=, overall=84.14, CAS ID=35891-70-4, Lipid ID=LMSP01080020, KEGG ID=C19914, METLIN ID=53920 ]" 35891-70-4 "(402.28552, 3798.8098)(403.28723, 997.51337)(404.2788, 276.65)(424.2669, 591.51)" Myriocin + 9.805667 FindByFormula + C19914 LMSP01080020 401.2777 9.805667 Myxalamid B "Myxalamid B [ C25 H39 N O3, db=76.32, tgt=, overall=76.32, CAS ID=86934-10-3, KEGG ID=C12159, METLIN ID=69330 ]" 86934-10-3 "(424.2835, 6924.19)(425.284, 1880.05)(446.2667, 2319.2666)(447.26767, 488.6367)" Myxalamid B FindByFormula + C12159 423.2769 13.959 Myxochelin C "Myxochelin C [ C27 H29 N3 O9, mfg=91.67, db=91.41, tgt=, overall=91.54, KEGG ID=C06450, METLIN ID=66405 ]" "(1117.3352, 1151.6412)(1118.3353, 903.1647)(1119.3289, 702.33844)(1120.3539, 211.05)(540.8596, 1013.18335)(541.19525, 334.19498)(542.1888, 775.61334)(578.15466, 7005.084)(579.1571, 2275.34)(580.15656, 684.4029)(562.1779, 1958.4161)(563.17816, 982.4913)(564.1709, 1035.0187)(565.16486, 661.802)" Myxochelin C FindByFormula + C06450 539.1922 1.9397646 Myxochelin C + 1.9387499 "Myxochelin C [ C27 H29 N3 O9, db=36.36, tgt=, overall=36.36, KEGG ID=C06450, METLIN ID=66405 ]" "(1123.3606, 188.65)(562.179, 3502.5369)(563.1816, 1587.8285)(564.1719, 2018.9316)" Myxochelin C + 1.9387499 FindByFormula + C06450 561.171 1.9387499 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine "N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine [ C28 H42 N2 O3 S, db=56.67, tgt=, overall=56.67, Lipid ID=LMFA08020053, METLIN ID=36721 ]" "(485.2821, 1590.675)(486.28555, 625.63)" N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine FindByFormula - LMFA08020053 486.2893 23.3605 N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine - 23.3605 "N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine [ C28 H42 N2 O3 S, db=80.89, tgt=, overall=80.89, Lipid ID=LMFA08020053, METLIN ID=36721 ]" "(485.2821, 1590.675)(486.28555, 625.63)(487.28802, 184.775)" N-(2'-(4-benzenesulfonamide)-ethyl) arachidonoyl amine - 23.3605 FindByFormula - LMFA08020053 486.2902 23.3605 N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine "N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine [ C38 H74 N2 O5, db=94.68, tgt=, overall=94.68, Lipid ID=LMFA00000003, METLIN ID=45742 ]" "(639.5653, 15105.211)(640.56995, 6818.5923)(641.5715, 1607.056)(661.5442, 1647.9233)(662.5481, 1215.0801)" N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine FindByFormula + LMFA00000003 638.5596 20.419 N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine + 20.419 "N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine [ C38 H74 N2 O5, db=90.56, tgt=, overall=90.56, Lipid ID=LMFA00000003, METLIN ID=45742 ]" "(639.5654, 14987.721)(640.56995, 6727.574)(641.5716, 831.2967)(661.5413, 657.5567)(662.5264, 72.73)" N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine + 20.419 FindByFormula + LMFA00000003 638.5597 20.419 N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine + 20.554333 "N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine [ C38 H74 N2 O5, db=90.43, tgt=, overall=90.43, Lipid ID=LMFA00000003, METLIN ID=45742 ]" "(639.5667, 14942.757)(640.5709, 6832.5566)(641.5731, 2681.02)(661.5421, 2176.17)(662.544, 1237.51)" N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine + 20.554333 FindByFormula + LMFA00000003 638.5605 20.554333 N-(3S-hydroxydecanoyl)-L-serine "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=97.86, tgt=, overall=97.86, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(590.32513, 337.745)(276.18054, 14339.72)(277.18387, 2257.9846)(278.18286, 553.0778)(298.16104, 2076.538)(299.16464, 344.91)" N-(3S-hydroxydecanoyl)-L-serine FindByFormula + LMFA00000002 275.1748 1.8910556 N-(3S-hydroxydecanoyl)-L-serine + 3.8883533 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, mfg=93.32, db=93.32, tgt=, overall=93.32, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18073, 4936.062)(277.18332, 867.4584)(278.18076, 212.64998)(314.1329, 410.87)(298.16202, 880.575)(299.1639, 165.06668)" N-(3S-hydroxydecanoyl)-L-serine + 3.8883533 FindByFormula + LMFA00000002 275.1734 3.8883533 N-(3S-hydroxydecanoyl)-L-serine + 3.90325 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, mfg=96.03, db=96.02, tgt=, overall=96.03, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18112, 7719.934)(277.18362, 1238.0297)(278.1846, 344.03665)(314.1389, 186.88)(298.16272, 1300.5199)(299.16534, 236.63875)" N-(3S-hydroxydecanoyl)-L-serine + 3.90325 FindByFormula + LMFA00000002 275.1741 3.90325 N-(3S-hydroxydecanoyl)-L-serine + 3.9100003 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=96.99, tgt=, overall=96.99, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18115, 5696.8105)(277.18362, 970.03094)(278.1853, 132.905)(314.138, 179.74333)(298.162, 817.09143)(299.165, 170.80182)" N-(3S-hydroxydecanoyl)-L-serine + 3.9100003 FindByFormula + LMFA00000002 275.1737 3.9100003 N-(3S-hydroxydecanoyl)-L-serine + 3.9104664 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=96.74, tgt=, overall=96.74, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18112, 6470.732)(277.18326, 1075.7975)(278.18457, 144.63199)(314.1334, 129.68)(298.16248, 980.02423)(299.16254, 189.805)" N-(3S-hydroxydecanoyl)-L-serine + 3.9104664 FindByFormula + LMFA00000002 275.1736 3.9104664 N-(3S-hydroxydecanoyl)-L-serine + 4.3505 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=73.00, tgt=, overall=73.00, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18005, 3097.78)(277.1821, 565.64)(278.1787, 271.04)(314.1349, 547.57)(298.16278, 875.42)(299.1626, 127.92)" N-(3S-hydroxydecanoyl)-L-serine + 4.3505 FindByFormula + LMFA00000002 275.1728 4.3505 N-(3S-hydroxydecanoyl)-L-serine + 4.5063334 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=82.23, tgt=, overall=82.23, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.1813, 5538.515)(277.18405, 971.48004)(298.1636, 929.52795)(299.16577, 146.86667)" N-(3S-hydroxydecanoyl)-L-serine + 4.5063334 FindByFormula + LMFA00000002 275.1739 4.5063334 N-(3S-hydroxydecanoyl)-L-serine + 4.537333 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=92.82, tgt=, overall=92.82, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18106, 5443.2666)(277.18192, 875.4251)(278.1789, 54.32)(298.16364, 1004.83496)(299.16376, 228.54001)" N-(3S-hydroxydecanoyl)-L-serine + 4.537333 FindByFormula + LMFA00000002 275.1739 4.537333 N-(3S-hydroxydecanoyl)-L-serine + 4.5481668 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=67.66, tgt=, overall=67.66, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18134, 6456.1284)(277.18228, 1087.5885)(278.1821, 809.84)(298.16364, 1070.192)(299.1653, 197.56999)" N-(3S-hydroxydecanoyl)-L-serine + 4.5481668 FindByFormula + LMFA00000002 275.174 4.5481668 N-(3S-hydroxydecanoyl)-L-serine + 4.926167 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=77.76, tgt=, overall=77.76, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.18106, 3056.695)(277.1837, 620.9367)(278.1797, 265.35)(298.16406, 608.74)(299.1657, 107.7)" N-(3S-hydroxydecanoyl)-L-serine + 4.926167 FindByFormula + LMFA00000002 275.1736 4.926167 N-(3S-hydroxydecanoyl)-L-serine + 5.0594997 "N-(3S-hydroxydecanoyl)-L-serine [ C13 H25 N O5, db=87.91, tgt=, overall=87.91, Lipid ID=LMFA00000002, METLIN ID=45741 ]" "(276.1804, 2263.97)(277.1829, 425.06335)(278.1901, 144.53)(298.1632, 408.6875)(299.1679, 108.31)" N-(3S-hydroxydecanoyl)-L-serine + 5.0594997 FindByFormula + LMFA00000002 275.1743 5.0594997 N(alpha)-t-Butoxycarbonyl-L-leucine "N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, db=98.46, tgt=, overall=98.46, KEGG ID=C04301, METLIN ID=66157 ]" "(463.30096, 265.95697)(464.2977, 222.18333)(465.29724, 65.855)(485.28058, 193.06125)(486.28952, 105.456665)(232.15494, 143930.55)(233.15793, 18627.096)(234.15927, 2361.1904)(235.16547, 127.72333)(270.11005, 1559.3331)(271.10782, 213.53702)(272.1071, 219.71375)(254.13666, 12833.227)(255.13805, 1907.7653)(256.1379, 281.515)" N(alpha)-t-Butoxycarbonyl-L-leucine FindByFormula + C04301 231.1482 2.934455 N(alpha)-t-Butoxycarbonyl-L-leucine + 2.9501214 "N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, db=98.09, tgt=, overall=98.09, KEGG ID=C04301, METLIN ID=66157 ]" "(463.29947, 1118.67)(464.30698, 363.32004)(465.30716, 117.104996)(485.28403, 1066.9951)(486.28943, 426.32333)(232.155, 153309.92)(233.15793, 20056.686)(234.15889, 2490.7058)(235.16502, 467.02164)(270.11044, 2106.198)(271.11017, 422.77847)(272.1077, 522.58496)(254.1368, 14266.568)(255.13794, 2049.8884)(256.13712, 347.94455)" N(alpha)-t-Butoxycarbonyl-L-leucine + 2.9501214 FindByFormula + C04301 231.1478 2.9501214 N(alpha)-t-Butoxycarbonyl-L-leucine + 2.9501214 :1 "N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, db=98.12, tgt=, overall=98.12, KEGG ID=C04301, METLIN ID=66157 ]" "(232.155, 153041.27)(233.15794, 20029.682)(234.1593, 2507.4639)(235.16405, 265.44833)(270.11023, 2009.0267)(271.10794, 244.25125)(254.13661, 14208.562)(255.13812, 2049.4363)(256.1388, 303.55133)" N(alpha)-t-Butoxycarbonyl-L-leucine + 2.9501214 :1 FindByFormula + C04301 231.1478 2.9501214 N(alpha)-t-Butoxycarbonyl-L-leucine + 2.9592218 "N(alpha)-t-Butoxycarbonyl-L-leucine [ C11 H21 N O4, db=85.05, tgt=, overall=85.05, KEGG ID=C04301, METLIN ID=66157 ]" "(254.13629, 18076.713)(255.13843, 2412.7178)" N(alpha)-t-Butoxycarbonyl-L-leucine + 2.9592218 FindByFormula + C04301 253.1294 2.9592218 "N,N'-Diethylthiourea" "N,N'-Diethylthiourea [ C5 H12 N2 S, mfg=66.73, db=66.70, tgt=, overall=66.71, CAS ID=105-55-5, KEGG ID=C19400, METLIN ID=73103 ]" 105-55-5 "(133.0797, 10433.619)(134.07986, 1295.7809)" "N,N'-Diethylthiourea" FindByFormula + C19400 132.0729 0.96854556 "N,N-dimethyl-Safingol" "N,N-dimethyl-Safingol [ C20 H43 N O2, db=96.90, tgt=, overall=96.90, Lipid ID=LMSP01080056, METLIN ID=53956 ]" "(330.33643, 6457.0835)(331.33975, 1582.0061)(332.33755, 231.776)" "N,N-dimethyl-Safingol" FindByFormula + LMSP01080056 329.328 13.917799 "N,O-Didesmethylverapamil" "N,O-Didesmethylverapamil [ C25 H34 N2 O4, db=93.24, tgt=, overall=93.24, CAS ID=71539-09-8, METLIN ID=3013 ]" 71539-09-8 "(449.2408, 5106.0435)(450.24484, 1190.24)(451.24142, 207.68666)" "N,O-Didesmethylverapamil" FindByFormula + 448.234 22.024668 "N,O-Didesmethylverapamil + 22.383999" "N,O-Didesmethylverapamil [ C25 H34 N2 O4, db=66.92, tgt=, overall=66.92, CAS ID=71539-09-8, METLIN ID=3013 ]" 71539-09-8 "(449.24304, 2599.755)(450.24268, 880.235)" "N,O-Didesmethylverapamil + 22.383999" FindByFormula + 448.2349 22.383999 "N,O-Didesmethylverapamil + 24.008" "N,O-Didesmethylverapamil [ C25 H34 N2 O4, db=74.37, tgt=, overall=74.37, CAS ID=71539-09-8, METLIN ID=3013 ]" 71539-09-8 "(449.24182, 5180.01)(450.24512, 800.38)(451.24847, 539.88)" "N,O-Didesmethylverapamil + 24.008" FindByFormula + 448.2339 24.008 "N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide" "N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide [ C34 H65 N O3, db=88.16, tgt=, overall=88.16, CAS ID=141980-53-2, HMP ID=HMDB35480, METLIN ID=90763 ]" 141980-53-2 "(536.50244, 3499.827)(537.506, 1425.88)(538.5168, 374.80002)" "N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide" FindByFormula HMDB35480 + 535.4948 24.321669 "N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide + 24.27375" "N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide [ C34 H65 N O3, db=67.61, tgt=, overall=67.61, CAS ID=141980-53-2, HMP ID=HMDB35480, METLIN ID=90763 ]" 141980-53-2 "(536.5029, 2223.2852)(537.50684, 552.9375)" "N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide + 24.27375" FindByFormula HMDB35480 + 535.496 24.27375 "N1,N12-Diacetylspermine" "N1,N12-Diacetylspermine [ C14 H30 N4 O2, db=98.17, tgt=, overall=98.17, CAS ID=61345-83-3, KEGG ID=C03413, HMP ID=HMDB02172, METLIN ID=6525 ]" 61345-83-3 "(287.24472, 22065.775)(288.24683, 3974.6497)(289.2487, 444.21167)" "N1,N12-Diacetylspermine" FindByFormula HMDB02172 + C03413 286.2374 0.98883325 "N1,N12-Diacetylspermine + 26.9925" "N1,N12-Diacetylspermine [ C14 H30 N4 O2, db=83.23, tgt=, overall=83.23, CAS ID=61345-83-3, KEGG ID=C03413, HMP ID=HMDB02172, METLIN ID=6525 ]" 61345-83-3 "(287.24475, 3018.895)(288.2461, 474.06)" "N1,N12-Diacetylspermine + 26.9925" FindByFormula HMDB02172 + C03413 286.2377 26.9925 "N1,N4-Diacetylsulfanilamide" "N1,N4-Diacetylsulfanilamide [ C10 H12 N2 O4 S, mfg=74.09, db=73.82, tgt=, overall=73.95, CAS ID=5626-90-4, METLIN ID=2528 ]" 5626-90-4 "(257.0567, 423.25546)(279.0401, 5861.224)(280.04263, 766.106)" "N1,N4-Diacetylsulfanilamide" FindByFormula + 256.0505 10.312866 "N1,N5,N10-Tricoumaroyl spermidine" "N1,N5,N10-Tricoumaroyl spermidine [ C34 H37 N3 O6, db=63.93, tgt=, overall=63.93, CAS ID=, KEGG ID=C18069, METLIN ID=64160 ]" "(562.3008, 1238.61)(563.3025, 737.475)(600.2414, 1108.49)(584.2737, 14188.3)(585.2757, 3193.96)(586.2744, 1220.77)" "N1,N5,N10-Tricoumaroyl spermidine" FindByFormula + C18069 561.2824 9.011 "N1,N8-Diacetylspermidine" "N1,N8-Diacetylspermidine [ C11 H23 N3 O2, db=82.37, tgt=, overall=82.37, CAS ID=, HMP ID=HMDB41947, METLIN ID=96188 ]" "(230.186, 9070.318)(231.18723, 1252.699)(252.16956, 660.0733)(253.17151, 311.285)" "N1,N8-Diacetylspermidine" FindByFormula HMDB41947 + 229.1784 1.0610001 N1-Acetylspermidine "N1-Acetylspermidine [ C9 H21 N3 O, mfg=63.02, db=63.00, tgt=, overall=63.01, CAS ID=14278-49-0, KEGG ID=C00612, HMP ID=HMDB01276, METLIN ID=3323 ]" 14278-49-0 "(188.17555, 2161.654)(189.17453, 402.572)" N1-Acetylspermidine FindByFormula HMDB01276 + C00612 187.1696 0.81759995 N1-Acetylthermospermine "N1-Acetylthermospermine [ C12 H28 N4 O, db=96.68, tgt=, overall=96.68, CAS ID=, METLIN ID=24041 ]" "(245.2341, 12459.863)(246.23628, 1821.2963)(247.2377, 432.01202)(267.21704, 431.06332)" N1-Acetylthermospermine FindByFormula + 244.2274 0.78800005 N1-Acetylthermospermine + 0.7965834 "N1-Acetylthermospermine [ C12 H28 N4 O, db=98.82, tgt=, overall=98.82, CAS ID=, METLIN ID=24041 ]" "(245.23409, 15358.515)(246.23662, 2236.3274)(247.241, 216.21)" N1-Acetylthermospermine + 0.7965834 FindByFormula + 244.2276 0.7965834 N1-Caffeoyl-N10-feruloylspermidine "N1-Caffeoyl-N10-feruloylspermidine [ C26 H33 N3 O6, db=69.98, tgt=, overall=69.98, CAS ID=114916-07-3, HMP ID=HMDB38843, METLIN ID=93478 ]" 114916-07-3 "(989.4712, 57.85)(484.2459, 2634.73)(485.2444, 844.27997)(486.2573, 2079.24)(522.1937, 1296.79)(506.22473, 3647.275)(507.2338, 1154.7849)" N1-Caffeoyl-N10-feruloylspermidine FindByFormula HMDB38843 + 483.2377 9.924 "N2,N2-Dimethylguanosine" "N2,N2-Dimethylguanosine [ C12 H17 N5 O5, db=81.49, tgt=, overall=81.49, CAS ID=2140-67-2, HMP ID=HMDB04824, METLIN ID=7086 ]" 2140-67-2 "(334.1133, 8377.445)(335.11475, 1343.9012)" "N2,N2-Dimethylguanosine" FindByFormula HMDB04824 + 333.1057 2.873 N3'-Acetylapramycin "N3'-Acetylapramycin [ C23 H43 N5 O12, db=68.94, tgt=, overall=68.94, KEGG ID=C02856, METLIN ID=65851 ]" "(582.29736, 4048.63)(583.29675, 1115.7949)" N3'-Acetylapramycin FindByFormula + C02856 581.288 7.0715 N4-Acetylcytidine "N4-Acetylcytidine [ C11 H15 N3 O6, db=83.56, tgt=, overall=83.56, CAS ID=3768-18-1, HMP ID=HMDB05923, METLIN ID=58335 ]" 3768-18-1 "(308.0859, 5354.085)(309.08826, 829.47906)" N4-Acetylcytidine FindByFormula HMDB05923 + 307.0789 2.12825 N6-(delta2-isopentenyl)-adenine "N6-(delta2-isopentenyl)-adenine [ C10 H13 N5, db=95.51, tgt=, overall=95.51, KEGG ID=C04083, HMP ID=HMDB02313, METLIN ID=6612 ]" "(202.11034, 9098.686)(203.11368, 987.43463)(204.11502, 128.84625)" N6-(delta2-isopentenyl)-adenine FindByFormula HMDB02313 - C04083 203.1192 8.033466 N-Acetyl-7-O-acetylneuraminic acid "N-Acetyl-7-O-acetylneuraminic acid [ C13 H21 N O10, mfg=76.90, db=76.68, tgt=, overall=76.79, CAS ID=18529-63-0, KEGG ID=C04016, HMP ID=HMDB00785, METLIN ID=5751 ]" 18529-63-0 "(352.12402, 541.02)(390.07996, 2733.1458)(391.07938, 520.2322)(392.071, 532.89)(374.10657, 4755.2437)(375.1092, 950.97)" N-Acetyl-7-O-acetylneuraminic acid FindByFormula HMDB00785 + C04016 351.117 1.0688462 N-Acetyl-7-O-acetylneuraminic acid + 1.03125 "N-Acetyl-7-O-acetylneuraminic acid [ C13 H21 N O10, mfg=73.13, db=73.00, tgt=, overall=73.07, CAS ID=18529-63-0, KEGG ID=C04016, HMP ID=HMDB00785, METLIN ID=5751 ]" 18529-63-0 "(352.12524, 588.20996)(390.0766, 2719.1626)(391.08224, 466.93335)(374.10614, 4543.2676)(375.10446, 802.63)" N-Acetyl-7-O-acetylneuraminic acid + 1.03125 FindByFormula HMDB00785 + C04016 351.1174 1.03125 N-Acetyl-7-O-acetylneuraminic acid + 1.0781667 "N-Acetyl-7-O-acetylneuraminic acid [ C13 H21 N O10, db=91.99, tgt=, overall=91.99, CAS ID=18529-63-0, KEGG ID=C04016, HMP ID=HMDB00785, METLIN ID=5751 ]" 18529-63-0 "(374.1061, 5711.2817)(375.10764, 1054.6517)(376.10733, 283.09335)(412.05917, 1717.3201)(396.0879, 2845.72)(397.08945, 505.80002)" N-Acetyl-7-O-acetylneuraminic acid + 1.0781667 FindByFormula HMDB00785 + C04016 373.0975 1.0781667 N-Acetyl-9-O-lactoylneuraminic acid "N-Acetyl-9-O-lactoylneuraminic acid [ C14 H23 N O11, db=76.33, tgt=, overall=76.33, CAS ID=92935-30-3, HMP ID=HMDB00768, METLIN ID=5735 ]" 92935-30-3 "(380.11884, 1802.365)(381.1214, 357.6325)" N-Acetyl-9-O-lactoylneuraminic acid FindByFormula HMDB00768 - 381.1271 10.2535 N-Acetyldemethylphosphinothricin tripeptide "N-Acetyldemethylphosphinothricin tripeptide [ C12 H22 N3 O7 P, db=84.50, tgt=, overall=84.50, CAS ID=, KEGG ID=C17950, METLIN ID=63601 ]" "(350.11166, 4468.895)(351.11456, 687.44257)" N-Acetyldemethylphosphinothricin tripeptide FindByFormula - C17950 351.1197 1.0993685 N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine "N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine [ C33 H54 N6 O20, db=91.72, tgt=, overall=91.72, KEGG ID=C04876, METLIN ID=66273 ]" "(855.3462, 1723.0499)(856.3486, 727.2967)(857.35614, 275.50998)" N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine FindByFormula + C04876 854.3367 24.752668 N-Acetylgalactosamine 6-sulfate "N-Acetylgalactosamine 6-sulfate [ C8 H15 N O9 S, db=91.81, tgt=, overall=91.81, CAS ID=10357-00-3, HMP ID=HMDB00841, METLIN ID=5804 ]" 10357-00-3 "(300.0407, 6324.5547)(301.0437, 726.22504)(302.0419, 394.02002)" N-Acetylgalactosamine 6-sulfate FindByFormula HMDB00841 - 301.0485 0.9465 N-Acetylglucosaminyl-diphosphodolichol "N-Acetylglucosaminyl-diphosphodolichol [ C88 H147 N O12 P2, db=4.04, tgt=, overall=4.04, HMP ID=HMDB12264, METLIN ID=62899 ]" "(1473.0428, 63436.734)(1473.5394, 88990.625)(1474.0367, 42071.0)(1474.5353, 11850.887)(1475.0139, 2909.675)(1493.1813, 6823.4263)(1493.6813, 8156.3267)(1494.1836, 6927.0703)(1494.7659, 4397.885)(1495.0243, 4225.2)" N-Acetylglucosaminyl-diphosphodolichol FindByFormula HMDB12264 + 2944.0784 9.742333 N-acetylmethionine "N-acetylmethionine [ C7 H13 N O3 S, db=89.59, tgt=, overall=89.59, CAS ID=1115-47-5, HMP ID=HMDB11745, METLIN ID=62466 ]" 1115-47-5 "(214.05098, 2773.4373)(215.05228, 250.54312)(216.05019, 264.27438)(252.008, 188.25334)(236.03275, 2755.2827)(237.03336, 279.4425)(238.0316, 296.65125)" N-acetylmethionine FindByFormula HMDB11745 + 213.0433 5.0050473 N-acetylmethionine - 4.9892497 "N-acetylmethionine [ C7 H13 N O3 S, db=78.09, tgt=, overall=78.09, CAS ID=1115-47-5, HMP ID=HMDB11745, METLIN ID=62466 ]" 1115-47-5 "(190.05455, 4206.9863)(191.05751, 398.7825)" N-acetylmethionine - 4.9892497 FindByFormula HMDB11745 - 191.0616 4.9892497 N-acetylmethionine - 5.0127993 "N-acetylmethionine [ C7 H13 N O3 S, db=78.35, tgt=, overall=78.35, CAS ID=1115-47-5, HMP ID=HMDB11745, METLIN ID=62466 ]" 1115-47-5 "(190.05443, 3739.6274)(191.05734, 351.725)" N-acetylmethionine - 5.0127993 FindByFormula HMDB11745 - 191.0632 5.0127993 N-acetylmethionine + 4.970375 "N-acetylmethionine [ C7 H13 N O3 S, db=84.29, tgt=, overall=84.29, CAS ID=1115-47-5, HMP ID=HMDB11745, METLIN ID=62466 ]" 1115-47-5 "(192.06868, 480.56717)(214.05113, 2580.2437)(215.0514, 323.98)(216.05266, 170.90251)" N-acetylmethionine + 4.970375 FindByFormula HMDB11745 + 191.0624 4.970375 N-Acetylphenylalanine beta-naphthyl ester "N-Acetylphenylalanine beta-naphthyl ester [ C21 H19 N O3, db=82.48, tgt=, overall=82.48, CAS ID=20874-31-1, KEGG ID=C11341, METLIN ID=69004 ]" 20874-31-1 "(334.14404, 2478.0679)(335.14853, 562.978)(356.12708, 605.8)" N-Acetylphenylalanine beta-naphthyl ester FindByFormula + C11341 333.1388 7.3996 N-Acetylserine "N-Acetylserine [ C5 H9 N O4, db=76.55, tgt=, overall=76.55, CAS ID=16354-58-8, HMP ID=HMDB02931, METLIN ID=308 ]" 16354-58-8 "(148.06088, 5051.2188)(149.0643, 588.0529)(186.01436, 198.27333)" N-Acetylserine FindByFormula HMDB02931 + 147.0536 0.9651 N-Acryloylglycine "N-Acryloylglycine [ C5 H7 N O3, db=81.87, tgt=, overall=81.87, CAS ID=24599-25-5, HMP ID=HMDB01843, METLIN ID=6343 ]" 24599-25-5 "(130.05046, 4585.1387)(131.05186, 353.41928)(168.00409, 320.875)" N-Acryloylglycine FindByFormula HMDB01843 + 129.0433 0.9892222 N-Acryloylglycine + 1.158 "N-Acryloylglycine [ C5 H7 N O3, db=72.14, tgt=, overall=72.14, CAS ID=24599-25-5, HMP ID=HMDB01843, METLIN ID=6343 ]" 24599-25-5 "(130.04985, 1847.94)(131.04715, 176.34)" N-Acryloylglycine + 1.158 FindByFormula HMDB01843 + 129.0419 1.158 NADH "NADH [ C21 H29 N7 O14 P2, db=12.20, tgt=, overall=12.20, CAS ID=58-68-4, KEGG ID=C00004, HMP ID=HMDB01487, METLIN ID=3687 ]" 58-68-4 "(688.1127, 7073.577)(688.6073, 885.954)(689.1124, 2202.9019)(689.60925, 322.4775)" NADH FindByFormula HMDB01487 + C00004 1374.2062 8.6602 Nap-Thr-OH + 11.8337 "Nap-Thr-OH [ C22 H20 N2 O7, mfg=78.19, db=78.18, tgt=, overall=78.19, CAS ID=, KEGG ID=, METLIN ID=65111 ]" "(213.06718, 2576.0134)(213.56798, 785.105)(214.0696, 220.48)(425.1361, 368099.38)(426.13934, 89211.695)(427.1369, 42513.19)(428.13864, 8861.241)" Nap-Thr-OH + 11.8337 FindByFormula + 424.1286 11.8337 Narasin B "Narasin B [ C43 H70 O11, db=59.18, tgt=, overall=59.18, CAS ID=, METLIN ID=43271 ]" "(785.4837, 1106.11)(786.4839, 537.79004)" Narasin B FindByFormula + 784.4763 1.102 N-cis-tetradec-9Z-enoyl-L-Homoserine lactone "N-cis-tetradec-9Z-enoyl-L-Homoserine lactone [ C18 H31 N O3, mfg=95.78, db=97.38, tgt=, overall=48.69, METLIN ID=64725 ]" "(332.2199, 8885.706)(333.22244, 1847.0443)(334.22852, 386.06)(370.17548, 849.565)(354.20215, 8665.822)(355.20905, 1674.264)(356.20197, 102.380005)" N-cis-tetradec-9Z-enoyl-L-Homoserine lactone FindByFormula + 331.2123 7.781857 N-Cyclohexanecarbonylpentadecylamine "N-Cyclohexanecarbonylpentadecylamine [ C22 H43 N O, db=99.65, tgt=, overall=99.65, CAS ID=702638-84-4, METLIN ID=45078 ]" 702638-84-4 "(338.34174, 30577.982)(339.34528, 7624.0215)(340.3491, 1133.87)(341.3498, 281.42)(360.32227, 549.49207)" N-Cyclohexanecarbonylpentadecylamine FindByFormula + 337.3342 24.712667 N-Deacetylketoconazole "N-Deacetylketoconazole [ C24 H26 Cl2 N4 O3, db=56.07, tgt=, overall=56.07, CAS ID=67914-61-8, METLIN ID=900 ]" 67914-61-8 "(489.14655, 1638.535)(490.1503, 419.08502)" N-Deacetylketoconazole FindByFormula + 488.1416 16.321999 N-decanoyl-L-Homoserine lactone "N-decanoyl-L-Homoserine lactone [ C14 H25 N O3, db=84.99, tgt=, overall=84.99, CAS ID=177315-87-6, METLIN ID=45310 ]" 177315-87-6 "(256.19073, 16145.569)(257.19336, 2876.97)" N-decanoyl-L-Homoserine lactone FindByFormula + 255.1825 7.1535 N-Desethylquinagolide glucuronide "N-Desethylquinagolide glucuronide [ C24 H37 N3 O9 S, db=93.64, tgt=, overall=93.64, CAS ID=, METLIN ID=2211 ]" "(522.2509, 4913.98)(523.2538, 1318.9559)(560.2033, 883.17)(544.232, 7995.93)(545.234, 2102.004)(546.23755, 676.2975)" N-Desethylquinagolide glucuronide FindByFormula + 521.2424 15.197469 N-Desethylquinagolide glucuronide + 15.177583 "N-Desethylquinagolide glucuronide [ C24 H37 N3 O9 S, mfg=67.51, db=67.29, tgt=, overall=67.40, CAS ID=, METLIN ID=2211 ]" "(544.23175, 8225.717)(545.23346, 2247.5898)(566.2161, 1084.8287)" N-Desethylquinagolide glucuronide + 15.177583 FindByFormula + 543.2229 15.177583 N-Desethylquinagolide glucuronide + 15.183499 "N-Desethylquinagolide glucuronide [ C24 H37 N3 O9 S, db=89.11, tgt=, overall=89.11, CAS ID=, METLIN ID=2211 ]" "(506.2708, 2375.845)(507.2735, 876.64294)(508.27118, 577.1086)(544.23157, 7448.9097)(545.2324, 1919.4677)(546.23755, 562.168)(528.2517, 1240.192)(529.25104, 777.0022)(530.25006, 479.28333)" N-Desethylquinagolide glucuronide + 15.183499 FindByFormula + 505.2663 15.183499 N-docosahexaenoyl GABA "N-docosahexaenoyl GABA [ C26 H39 N O3, db=62.85, tgt=, overall=62.85, Lipid ID=LMFA08020105, METLIN ID=75487 ]" "(414.30115, 4361.81)(415.3059, 1761.0249)" N-docosahexaenoyl GABA FindByFormula + LMFA08020105 413.2908 10.425 N-docosahexaenoyl GABA + 11.530749 "N-docosahexaenoyl GABA [ C26 H39 N O3, db=96.20, tgt=, overall=96.20, Lipid ID=LMFA08020105, METLIN ID=75487 ]" "(414.2992, 8357.28)(415.30334, 2572.3674)(416.3043, 342.6275)" N-docosahexaenoyl GABA + 11.530749 FindByFormula + LMFA08020105 413.2915 11.530749 N-docosahexaenoyl GABA + 19.573 "N-docosahexaenoyl GABA [ C26 H39 N O3, db=61.39, tgt=, overall=61.39, Lipid ID=LMFA08020105, METLIN ID=75487 ]" "(414.2996, 3376.3467)(415.30057, 1328.8132)" N-docosahexaenoyl GABA + 19.573 FindByFormula + LMFA08020105 413.2914 19.573 N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin "N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin [ C26 H43 N5 O5 S, db=72.25, tgt=, overall=72.25, METLIN ID=64900 ]" "(538.30817, 10489.974)(539.3091, 2733.2058)(540.3066, 2012.316)" N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin FindByFormula + 537.2988 14.754601 Neohesperidin dihydrochalcone "Neohesperidin dihydrochalcone [ C28 H36 O15, db=58.02, tgt=, overall=58.02, CAS ID=20702-77-6, HMP ID=HMDB30542, METLIN ID=43746 ]" 20702-77-6 "(613.2132, 2370.23)(614.21643, 942.902)(615.2101, 1101.012)" Neohesperidin dihydrochalcone FindByFormula HMDB30542 + 612.2067 13.717201 Neryl rhamnosyl-glucoside "Neryl rhamnosyl-glucoside [ C22 H38 O10, db=46.52, tgt=, overall=46.52, CAS ID=84534-31-6, HMP ID=HMDB29349, METLIN ID=86210 ]" 84534-31-6 "(463.2527, 1016.05005)(464.2531, 475.34)" Neryl rhamnosyl-glucoside FindByFormula HMDB29349 + 462.2466 7.505 NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(9-OAc-NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) "NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(9-OAc-NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) [ C97 H167 N5 O48, db=58.85, tgt=, overall=58.85, Lipid ID=LMSP0601BL02, METLIN ID=56381 ]" "(1108.0298, 41870.18)(1108.5225, 23184.494)(1109.0383, 5733.855)(1130.008, 1291.4299)(1130.4932, 840.875)" NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(9-OAc-NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) FindByFormula + LMSP0601BL02 2214.0457 9.7415 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=91.89, tgt=, overall=91.89, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(1035.6343, 338.16498)(1036.1355, 444.7)(1036.6356, 239.18)(507.32397, 3079.362)(507.83023, 2280.1594)(508.32825, 925.03925)(508.83722, 188.038)(1013.6527, 298768.34)(1014.65594, 162260.0)(1015.6593, 56345.07)(1016.65985, 14548.268)(1017.6657, 3823.2898)(526.30475, 9854.11)(526.8082, 5729.0596)(527.31, 2265.9685)(527.8064, 812.73724)(1035.6299, 312.485)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) FindByFormula + LMSP0601AA01 1012.6461 14.800466 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.6206665 "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=59.01, tgt=, overall=59.01, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(518.3209, 6248.29)(518.812, 305.73)(519.3239, 1886.24)(1035.6387, 1597.835)(1036.6403, 886.29504)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.6206665 FindByFormula + LMSP0601AA01 1034.6279 14.6206665 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.780667 "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=95.31, tgt=, overall=95.31, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(1035.6295, 1194.46)(1036.1416, 836.75)(1036.6179, 545.81)(507.32382, 3231.72)(507.83118, 2256.5115)(508.32605, 1966.43)(508.8284, 2213.76)(1013.6518, 339109.44)(1014.6546, 182309.67)(1015.6587, 61293.25)(1016.6588, 16910.66)(1017.66486, 4478.845)(1018.6656, 831.68)(526.3019, 10716.284)(526.8084, 5848.508)(527.3022, 2495.8347)(527.80237, 1489.165)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.780667 FindByFormula + LMSP0601AA01 1012.6447 14.780667 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.7874565 "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=82.76, tgt=, overall=82.76, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(496.339, 2306.31)(496.8306, 232.73)(497.341, 828.8)(991.6694, 52159.85)(992.6731, 28742.783)(993.6749, 9535.897)(994.6758, 4982.435)(995.6963, 482.79)(1013.6517, 351868.9)(1014.6545, 189497.53)(1015.6577, 62825.824)(1016.6621, 52654.016)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.7874565 FindByFormula + LMSP0601AA01 990.6703 14.7874565 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.810828 "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=98.02, tgt=, overall=98.02, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(991.66864, 48254.47)(992.67255, 26534.318)(993.6742, 8775.788)(994.67596, 2721.109)(995.6726, 879.02325)(1013.651, 334068.2)(1014.6536, 180449.1)(1015.6571, 59958.457)(1016.65765, 17030.97)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.810828 FindByFormula + LMSP0601AA01 990.6634 14.810828 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.93 "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=89.91, tgt=, overall=89.91, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(991.67, 44191.72)(992.67346, 25435.814)(993.67737, 7881.6445)(994.67755, 1991.6533)(1013.65326, 288794.44)(1014.6564, 152066.55)(1015.65826, 52217.305)(1016.65735, 13319.904)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 14.93 FindByFormula + LMSP0601AA01 990.6651 14.93 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 29.429 "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=63.16, tgt=, overall=63.16, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(496.338, 522.945)(496.83502, 116.6)(497.3418, 153.435)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 29.429 FindByFormula + LMSP0601AA01 990.6609 29.429 NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 29.8345 "NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) [ C51 H94 N2 O16, db=62.00, tgt=, overall=62.00, Lipid ID=LMSP0601AA01, METLIN ID=56047 ]" "(496.33856, 872.53)(496.83313, 194.895)(497.3416, 291.23)" NeuAcalpha2-3Galbeta-Cer(d18:1/16:0) + 29.8345 FindByFormula + LMSP0601AA01 990.6617 29.8345 NeuAcalpha2-3Galbeta-Cer(d18:1/20:0) "NeuAcalpha2-3Galbeta-Cer(d18:1/20:0) [ C55 H102 N2 O16, db=90.71, tgt=, overall=90.71, Lipid ID=LMSP0601AA03, METLIN ID=56049 ]" "(535.3564, 5510.46)(535.8541, 3600.2)(536.3608, 2174.26)(1069.7156, 218100.53)(1070.7173, 128617.31)(1071.7145, 46161.23)(1072.7205, 11917.225)(1073.7332, 2455.2249)" NeuAcalpha2-3Galbeta-Cer(d18:1/20:0) FindByFormula + LMSP0601AA03 1068.717 17.2745 NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) "NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) [ C76 H135 N3 O29, db=80.40, tgt=, overall=80.40, Lipid ID=LMSP0601AK07, METLIN ID=56143 ]" "(777.96387, 10583.2)(778.4662, 7637.625)(778.9656, 4428.345)(779.4723, 2360.41)" NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) FindByFormula + LMSP0601AK07 1553.9177 9.084 NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) "NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) [ C96 H167 N5 O49, db=83.55, tgt=, overall=83.55, Lipid ID=LMSP0601GB01, METLIN ID=57382 ]" "(1110.0261, 40744.133)(1110.5271, 35633.2)(1111.0247, 28212.441)(1111.5216, 9538.96)(1112.0298, 4026.505)" NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) FindByFormula + LMSP0601GB01 2218.0437 9.7415 NeuGcalpha2-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) "NeuGcalpha2-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) [ C75 H135 N3 O32, db=76.00, tgt=, overall=76.00, Lipid ID=LMSP0601BY03, METLIN ID=56499 ]" "(1590.9081, 4585.62)(1591.9049, 4454.751)(1592.9207, 2912.254)(1593.9254, 1291.0076)(1612.8997, 4038.632)(1613.9082, 3758.782)(1614.906, 2262.552)(795.9607, 2120.9626)(796.9635, 1093.7725)" NeuGcalpha2-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) FindByFormula + LMSP0601BY03 794.9581 8.625714 Nevirapine "Nevirapine [ C15 H14 N4 O, db=84.05, tgt=, overall=84.05, CAS ID=, KEGG ID=C07263, METLIN ID=43275 ]" "(289.1053, 4355.6084)(290.10794, 851.62836)" Nevirapine FindByFormula + C07263 288.095 8.94325 Nevskin "Nevskin [ C24 H32 O5, db=82.80, tgt=, overall=82.80, CAS ID=61490-17-3, HMP ID=HMDB30162, METLIN ID=86765 ]" 61490-17-3 "(401.23044, 2580.1565)(402.23404, 812.8599)(403.24075, 236.17)(423.2093, 337.34)" Nevskin FindByFormula HMDB30162 + 400.2234 10.561667 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine "N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine [ C7 H10 N4 O, db=86.73, tgt=, overall=86.73, KEGG ID=C19872, METLIN ID=73404 ]" "(189.0743, 5031.943)(190.0763, 467.6913)" N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine FindByFormula + C19872 188.0673 4.4372087 N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine + 4.547 "N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine [ C7 H10 N4 O, db=67.87, tgt=, overall=67.87, KEGG ID=C19872, METLIN ID=73404 ]" "(189.07425, 1574.935)(190.0769, 306.345)" N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine + 4.547 FindByFormula + C19872 188.0673 4.547 N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine "N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine [ C11 H18 N2 O5 S, db=87.50, tgt=, overall=87.50, CAS ID=134677-41-1, HMP ID=HMDB40557, METLIN ID=95044 ]" 134677-41-1 "(291.10138, 833.1)(292.10056, 138.59)(293.1004, 78.81)(329.0573, 134.52)(313.08484, 755.325)" N-gamma-Glutamyl-S-trans-(1-propenyl)cysteine FindByFormula HMDB40557 + 290.0937 4.7315 N-Hydroxypentobarbital "N-Hydroxypentobarbital [ C11 H18 N2 O4, db=77.38, tgt=, overall=77.38, CAS ID=62298-51-5, METLIN ID=1765 ]" 62298-51-5 "(243.13501, 4912.5547)(244.13559, 717.33)" N-Hydroxypentobarbital FindByFormula + 242.1279 2.718 Nigakilactone K "Nigakilactone K [ C22 H30 O7, db=75.74, tgt=, overall=75.74, KEGG ID=C17033, METLIN ID=71512 ]" "(405.1902, 2083.1199)(406.19342, 500.7143)" Nigakilactone K FindByFormula - C17033 406.1969 9.598856 Nimodipine "Nimodipine [ C21 H26 N2 O7, db=67.13, tgt=, overall=67.13, CAS ID=66085-59-4, KEGG ID=C07267, HMP ID=HMDB14537, METLIN ID=1541 ]" 66085-59-4 "(441.16406, 3900.4448)(442.16687, 1367.3)" Nimodipine FindByFormula HMDB14537 + C07267 440.158 9.558001 N-isopropyl arachidonoyl amine "N-isopropyl arachidonoyl amine [ C23 H39 N O, db=83.36, tgt=, overall=83.36, Lipid ID=LMFA08020010, METLIN ID=36682 ]" "(346.31042, 1629.7999)(347.31305, 438.8)" N-isopropyl arachidonoyl amine FindByFormula + LMFA08020010 345.3034 12.566 N-isovalerylglycine "N-isovalerylglycine [ C7 H13 N O3, mfg=63.01, db=95.17, tgt=, overall=47.58, CAS ID=16284-60-9, METLIN ID=4128 ]" 16284-60-9 "(182.07932, 14798.599)(183.08322, 1399.246)(184.0893, 218.71)(204.06108, 1417.4758)" N-isovalerylglycine FindByFormula + 181.072 2.2694001 N-isovalerylglycine + 2.233 "N-isovalerylglycine [ C7 H13 N O3, db=86.21, tgt=, overall=86.21, CAS ID=16284-60-9, METLIN ID=4128 ]" 16284-60-9 "(160.0956, 742.2734)(182.07901, 21122.93)(183.08246, 2055.9475)" N-isovalerylglycine + 2.233 FindByFormula + 159.09 2.233 Nitenin "Nitenin [ C22 H28 O4, db=63.69, tgt=, overall=63.69, Lipid ID=LMPK12020256, METLIN ID=47472 ]" "(357.20532, 2217.3132)(358.21182, 466.99667)(359.214, 461.13)" Nitenin FindByFormula + LMPK12020256 356.1971 10.588 Nitralin "Nitralin [ C13 H19 N3 O6 S, db=93.77, tgt=, overall=93.77, CAS ID=4726-14-1, KEGG ID=C19064, METLIN ID=72812 ]" 4726-14-1 "(368.08826, 12187.175)(369.09265, 2282.675)(370.08585, 619.585)(390.07056, 453.435)" Nitralin FindByFormula + C19064 367.078 9.1875 N-Methyl-2-pyrrolidinone "N-Methyl-2-pyrrolidinone [ C5 H9 N O, db=78.88, tgt=, overall=78.88, CAS ID=872-50-4, KEGG ID=C11118, METLIN ID=68859 ]" 872-50-4 "(122.05806, 11506.021)(123.05559, 683.31995)" N-Methyl-2-pyrrolidinone FindByFormula + C11118 121.051 1.99 N-Methyldioctylamine "N-Methyldioctylamine [ C17 H37 N, db=95.72, tgt=, overall=95.72, CAS ID=4455-26-9, METLIN ID=103466 ]" 4455-26-9 "(256.29944, 175190.3)(257.3033, 27473.121)(258.3048, 3617.424)" N-Methyldioctylamine FindByFormula + 255.2916 13.278834 N-Methyldioctylamine + 13.257334 "N-Methyldioctylamine [ C17 H37 N, db=99.38, tgt=, overall=99.38, CAS ID=4455-26-9, METLIN ID=103466 ]" 4455-26-9 "(256.2997, 8652.3545)(257.30325, 1756.5399)(258.30463, 183.70221)" N-Methyldioctylamine + 13.257334 FindByFormula + 255.2928 13.257334 N-Methylformamide "N-Methylformamide [ C8 H9 N O, db=77.69, tgt=, overall=77.69, CAS ID=123-39-7, KEGG ID=C11489, HMP ID=HMDB01122, METLIN ID=58023 ]" 123-39-7 "(136.0751, 16925.5)(137.07596, 1553.25)" N-Methylformamide FindByFormula HMDB01122 + C11489 135.0665 1.1645 N-methyl-Gabapentin "N-methyl-Gabapentin [ C10 H19 N O2, db=55.82, tgt=, overall=55.82, CAS ID=102937-74-6, METLIN ID=2992 ]" 102937-74-6 "(186.14847, 1343.89)(187.1461, 265.846)" N-methyl-Gabapentin FindByFormula + 185.1411 1.1530001 N-Nitrosodi-n-butylamine "N-Nitrosodi-n-butylamine [ C8 H18 N2 O, db=87.73, tgt=, overall=87.73, CAS ID=924-16-3, KEGG ID=C19277, METLIN ID=72995 ]" 924-16-3 "(159.14905, 23437.094)(160.14871, 2796.6116)(161.14966, 215.36499)(181.12985, 592.46)" N-Nitrosodi-n-butylamine FindByFormula + C19277 158.1418 1.1342857 N-oleoyl glutamic acid "N-oleoyl glutamic acid [ C23 H41 N O5, db=59.46, tgt=, overall=59.46, Lipid ID=LMFA08020088, METLIN ID=75470 ]" "(412.30542, 6503.6646)(413.3061, 1835.6113)(414.3091, 2765.78)(434.28738, 1661.405)(435.29016, 560.99335)" N-oleoyl glutamic acid FindByFormula + LMFA08020088 411.3 11.407287 N-oleoyl glutamic acid + 11.369 "N-oleoyl glutamic acid [ C23 H41 N O5, db=72.21, tgt=, overall=72.21, Lipid ID=LMFA08020088, METLIN ID=75470 ]" "(412.30573, 11475.88)(413.3051, 3148.774)(434.28665, 2314.97)(435.28427, 427.28003)" N-oleoyl glutamic acid + 11.369 FindByFormula + LMFA08020088 411.2973 11.369 N-oleoyl glutamic acid + 11.3755 "N-oleoyl glutamic acid [ C23 H41 N O5, db=86.39, tgt=, overall=86.39, Lipid ID=LMFA08020088, METLIN ID=75470 ]" "(412.3057, 12862.316)(413.30658, 3571.3623)(414.2969, 352.25)(434.28647, 2230.8367)(435.2826, 174.76)" N-oleoyl glutamic acid + 11.3755 FindByFormula + LMFA08020088 411.2981 11.3755 N-oleoyl taurine "N-oleoyl taurine [ C20 H39 N O4 S, db=0.00, tgt=, overall=0.00, CAS ID=52514-04-2, Lipid ID=LMFA08020081, METLIN ID=44908 ]" 52514-04-2 "(412.24945, 2967.1826)(412.7533, 1116.7426)(823.4771, 2041.015)(824.4775, 914.815)" N-oleoyl taurine FindByFormula + LMFA08020081 822.4853 1.1215 N-oleoyl taurine + 18.879 "N-oleoyl taurine [ C20 H39 N O4 S, db=50.87, tgt=, overall=50.87, CAS ID=52514-04-2, Lipid ID=LMFA08020081, METLIN ID=44908 ]" 52514-04-2 "(390.26895, 881.85)(391.26727, 422.265)" N-oleoyl taurine + 18.879 FindByFormula + LMFA08020081 389.2617 18.879 N-Oleoyl-L-Serine "N-Oleoyl-L-Serine [ C21 H39 N O4, mfg=93.32, db=93.30, tgt=, overall=93.31, METLIN ID=45444 ]" "(370.29434, 11180.721)(371.29666, 2868.4016)(372.29733, 507.75168)(408.2522, 66.52)(392.27628, 2018.7009)(393.2767, 672.48)" N-Oleoyl-L-Serine FindByFormula + 369.287 12.261652 N-Oleoyl-L-Serine + 12.217733 "N-Oleoyl-L-Serine [ C21 H39 N O4, db=97.96, tgt=, overall=97.96, METLIN ID=45444 ]" "(370.29523, 9935.182)(371.29785, 2492.569)(372.29834, 428.16165)(408.24664, 186.97)(392.27582, 1813.1459)(393.27106, 600.89795)" N-Oleoyl-L-Serine + 12.217733 FindByFormula + 369.2877 12.217733 N-Oleoyl-L-Serine + 12.222182 "N-Oleoyl-L-Serine [ C21 H39 N O4, db=98.20, tgt=, overall=98.20, METLIN ID=45444 ]" "(370.29504, 12002.256)(371.29816, 2983.8242)(372.30054, 695.9333)(408.247, 711.04)(392.27536, 1719.6571)(393.2712, 686.65405)" N-Oleoyl-L-Serine + 12.222182 FindByFormula + 369.2868 12.222182 N-Oleoyl-L-Serine + 12.255842 "N-Oleoyl-L-Serine [ C21 H39 N O4, db=95.23, tgt=, overall=95.23, METLIN ID=45444 ]" "(370.29532, 12814.808)(371.29776, 3132.4211)(372.29773, 757.33496)(408.2449, 135.36)(392.277, 2498.7683)(393.27734, 798.0567)" N-Oleoyl-L-Serine + 12.255842 FindByFormula + 369.2882 12.255842 N-Oleoyl-L-Serine + 12.271455 "N-Oleoyl-L-Serine [ C21 H39 N O4, db=96.01, tgt=, overall=96.01, METLIN ID=45444 ]" "(370.29517, 11501.449)(371.2971, 2796.2595)(372.2979, 522.30457)(408.2466, 101.19)(392.27814, 1971.194)(393.28012, 518.86993)" N-Oleoyl-L-Serine + 12.271455 FindByFormula + 369.2889 12.271455 N-Oleoyl-L-Serine + 12.285429 "N-Oleoyl-L-Serine [ C21 H39 N O4, db=77.98, tgt=, overall=77.98, METLIN ID=45444 ]" "(392.27765, 3036.993)(393.27878, 805.1729)" N-Oleoyl-L-Serine + 12.285429 FindByFormula + 391.2692 12.285429 N-Oleoyl-L-Serine + 12.744667 "N-Oleoyl-L-Serine [ C21 H39 N O4, db=68.93, tgt=, overall=68.93, METLIN ID=45444 ]" "(370.29504, 2221.5334)(371.29324, 587.30664)(392.2789, 199.85)" N-Oleoyl-L-Serine + 12.744667 FindByFormula + 369.287 12.744667 Nonate "Nonate [ C9 H16 O4, db=83.07, tgt=, overall=83.07, HMP ID=HMDB11717, METLIN ID=62450 ]" "(187.09851, 9568.476)(188.10162, 1028.625)" Nonate FindByFormula HMDB11717 - 188.107 8.797 Nonoxynol-9 "Nonoxynol-9 [ C33 H60 O10, db=98.42, tgt=, overall=98.42, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(639.40686, 1124876.6)(640.41077, 399640.72)(641.41327, 93726.0)(642.41583, 17392.303)(643.4162, 2422.6938)(644.4184, 589.94165)" Nonoxynol-9 FindByFormula + 638.3996 17.113092 Nonoxynol-9 + 15.22609 "Nonoxynol-9 [ C33 H60 O10, db=92.59, tgt=, overall=92.59, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(639.4065, 6392.094)(640.4095, 2550.2368)(641.4106, 630.969)" Nonoxynol-9 + 15.22609 FindByFormula + 638.3992 15.22609 Nonoxynol-9 + 17.113184 "Nonoxynol-9 [ C33 H60 O10, db=97.85, tgt=, overall=97.85, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(617.42267, 1905.9622)(618.43384, 953.11)(619.4345, 230.78857)(655.3812, 89520.69)(656.3841, 34103.33)(657.3825, 14790.644)(658.3833, 4048.9355)(659.38245, 830.0075)" Nonoxynol-9 + 17.113184 FindByFormula + 616.4175 17.113184 Nonoxynol-9 + 17.117401 "Nonoxynol-9 [ C33 H60 O10, db=99.15, tgt=, overall=99.15, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(639.40717, 1029587.1)(640.4111, 365879.1)(641.4135, 86241.93)(642.4162, 15940.01)" Nonoxynol-9 + 17.117401 FindByFormula + 638.4006 17.117401 Nonoxynol-9 + 29.518799 "Nonoxynol-9 [ C33 H60 O10, db=91.08, tgt=, overall=91.08, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(639.406, 3321.2456)(640.4093, 1194.0691)(641.41113, 385.95334)" Nonoxynol-9 + 29.518799 FindByFormula + 638.3976 29.518799 Nonoxynol-9 + 29.618597 "Nonoxynol-9 [ C33 H60 O10, db=86.25, tgt=, overall=86.25, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(639.4063, 2929.0452)(640.4099, 1025.4747)(641.4102, 420.79996)" Nonoxynol-9 + 29.618597 FindByFormula + 638.3976 29.618597 Nonoxynol-9 + 29.7918 "Nonoxynol-9 [ C33 H60 O10, db=88.51, tgt=, overall=88.51, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(639.407, 4132.532)(640.41077, 1593.602)(641.40906, 577.56)" Nonoxynol-9 + 29.7918 FindByFormula + 638.3979 29.7918 Nonoxynol-9 + 29.862 "Nonoxynol-9 [ C33 H60 O10, db=80.83, tgt=, overall=80.83, CAS ID=14409-72-4, METLIN ID=43278 ]" 14409-72-4 "(639.4061, 3632.5598)(640.40955, 1584.025)(641.4082, 122.18)" Nonoxynol-9 + 29.862 FindByFormula + 638.3972 29.862 Norepinephrine sulfate "Norepinephrine sulfate [ C8 H11 N O6 S, db=85.58, tgt=, overall=85.58, CAS ID=77469-51-3, HMP ID=HMDB02062, METLIN ID=58089 ]" 77469-51-3 "(521.05286, 1142.031)(522.05176, 478.04532)(250.03905, 9304.604)(251.0429, 1130.5092)(252.04123, 225.25468)(287.99353, 516.8407)(272.02097, 5781.8374)(273.02423, 702.8604)(274.02194, 149.735)" Norepinephrine sulfate FindByFormula HMDB02062 + 249.032 1.9404397 Norepinephrine sulfate + 1.9509227 "Norepinephrine sulfate [ C8 H11 N O6 S, db=68.87, tgt=, overall=68.87, CAS ID=77469-51-3, HMP ID=HMDB02062, METLIN ID=58089 ]" 77469-51-3 "(543.04144, 501.5564)(272.02103, 5949.412)(273.02386, 820.67456)" Norepinephrine sulfate + 1.9509227 FindByFormula HMDB02062 + 271.0136 1.9509227 Norepinephrine sulfate + 1.9564093 "Norepinephrine sulfate [ C8 H11 N O6 S, db=69.98, tgt=, overall=69.98, CAS ID=77469-51-3, HMP ID=HMDB02062, METLIN ID=58089 ]" 77469-51-3 "(505.0722, 651.717)(506.0713, 271.36334)(234.0616, 1872.8772)(235.06186, 605.61505)(236.05824, 638.86096)(272.0208, 5916.591)(273.02396, 825.1376)(256.04333, 1447.61)(257.04395, 353.75)" Norepinephrine sulfate + 1.9564093 FindByFormula HMDB02062 + 233.0547 1.9564093 Norethynodrel "Norethynodrel [ C20 H26 O2, db=77.69, tgt=, overall=77.69, CAS ID=, KEGG ID=C14249, METLIN ID=43279 ]" "(299.20038, 3163.9941)(300.2044, 891.29407)" Norethynodrel FindByFormula + C14249 298.1936 10.434401 Norgestimate "Norgestimate [ C23 H31 N O3, db=61.91, tgt=, overall=61.91, CAS ID=35189-28-7, KEGG ID=D05209, HMP ID=HMDB15092, METLIN ID=1606 ]" 35189-28-7 "(207.60425, 1600.135)(208.10535, 677.115)" Norgestimate FindByFormula HMDB15092 + D05209 413.1934 10.434999 Normeperidinicacid "Normeperidinicacid [ C12 H15 N O2, db=67.67, tgt=, overall=67.67, CAS ID=3627-45-0, METLIN ID=1133 ]" 3627-45-0 "(206.11745, 3948.785)(207.11786, 808.41)" Normeperidinicacid FindByFormula + 205.1098 4.0525 Nor-psi-tropine "Nor-psi-tropine [ C7 H13 N O, db=74.14, tgt=, overall=74.14, CAS ID=501-33-7, HMP ID=HMDB31667, METLIN ID=87846 ]" 501-33-7 "(128.1076, 17375.59)(129.1055, 2043.79)" Nor-psi-tropine FindByFormula HMDB31667 + 127.1005 1.006 Nostopeptolide A2 "Nostopeptolide A2 [ C52 H78 N10 O14, db=52.65, tgt=, overall=52.65, KEGG ID=C15698, METLIN ID=71032 ]" "(1067.5801, 13734.755)(1068.5847, 7578.005)" Nostopeptolide A2 FindByFormula + C15698 1066.5718 8.35 Notoginsenoside J "Notoginsenoside J [ C42 H74 O16, db=53.48, tgt=, overall=53.48, CAS ID=, HMP ID=HMDB31757, METLIN ID=87923 ]" "(418.2577, 2553.1)(418.7627, 296.44)(419.2603, 806.64)(835.5134, 1864.635)(836.513, 980.67004)(837.5056, 432.63)" Notoginsenoside J FindByFormula HMDB31757 + 834.5078 1.1375 Notoginsenoside R10 "Notoginsenoside R10 [ C30 H50 O9, db=78.01, tgt=, overall=78.01, CAS ID=335157-20-5, HMP ID=HMDB39051, METLIN ID=93657 ]" 335157-20-5 "(577.33417, 54844.68)(578.3368, 19562.943)(579.3406, 11659.26)(580.3445, 3216.73)" Notoginsenoside R10 FindByFormula HMDB39051 + 576.3294 11.066099 Notoginsenoside R10 + 11.085751 "Notoginsenoside R10 [ C30 H50 O9, db=97.01, tgt=, overall=97.01, CAS ID=335157-20-5, HMP ID=HMDB39051, METLIN ID=93657 ]" 335157-20-5 "(577.3338, 47699.605)(578.337, 16965.63)(579.33984, 4072.1772)(580.3398, 1341.5701)" Notoginsenoside R10 + 11.085751 FindByFormula HMDB39051 + 576.3279 11.085751 Notoginsenoside R10 + 11.086834 "Notoginsenoside R10 [ C30 H50 O9, db=88.20, tgt=, overall=88.20, CAS ID=335157-20-5, HMP ID=HMDB39051, METLIN ID=93657 ]" 335157-20-5 "(577.33344, 47679.316)(578.33655, 16957.42)(579.3426, 896.865)" Notoginsenoside R10 + 11.086834 FindByFormula HMDB39051 + 576.3254 11.086834 Notoginsenoside R2 "Notoginsenoside R2 [ C41 H70 O13, db=89.63, tgt=, overall=89.63, CAS ID=80418-25-3, HMP ID=HMDB35362, METLIN ID=90661 ]" 80418-25-3 "(771.4859, 475624.2)(772.4893, 207327.28)(773.4918, 58470.71)(774.4953, 13525.816)(775.49744, 2448.1204)(776.4974, 537.515)" Notoginsenoside R2 FindByFormula HMDB35362 + 770.4807 16.819565 Notoginsenoside R2 + 16.8199 "Notoginsenoside R2 [ C41 H70 O13, db=89.03, tgt=, overall=89.03, CAS ID=80418-25-3, HMP ID=HMDB35362, METLIN ID=90661 ]" 80418-25-3 "(771.4858, 477717.47)(772.4892, 208041.06)(773.4917, 58717.445)(774.4944, 11014.992)(775.4952, 1947.6992)(776.50195, 479.90503)" Notoginsenoside R2 + 16.8199 FindByFormula HMDB35362 + 770.479 16.8199 Notoginsenoside R2 + 16.8199 :1 "Notoginsenoside R2 [ C41 H70 O13, db=89.13, tgt=, overall=89.13, CAS ID=80418-25-3, HMP ID=HMDB35362, METLIN ID=90661 ]" 80418-25-3 "(771.4858, 477717.47)(772.4892, 208041.06)(773.4917, 58717.445)(774.49506, 12501.31)" Notoginsenoside R2 + 16.8199 :1 FindByFormula HMDB35362 + 770.4776 16.8199 Notoginsenoside T1 "Notoginsenoside T1 [ C36 H60 O10, db=83.03, tgt=, overall=83.03, CAS ID=343962-53-8, HMP ID=HMDB39049, METLIN ID=93655 ]" 343962-53-8 "(653.42267, 16511.623)(654.42584, 6141.6533)(655.42804, 1433.3423)(656.4302, 634.66)" Notoginsenoside T1 FindByFormula HMDB39049 + 652.4166 17.922869 Notoginsenoside T1 + 17.91944 "Notoginsenoside T1 [ C36 H60 O10, db=83.05, tgt=, overall=83.05, CAS ID=343962-53-8, HMP ID=HMDB39049, METLIN ID=93655 ]" 343962-53-8 "(653.423, 15487.261)(654.42584, 5815.9688)(655.4269, 1436.9354)(656.4277, 547.56)" Notoginsenoside T1 + 17.91944 FindByFormula HMDB39049 + 652.4177 17.91944 Notoginsenoside T1 + 17.93347 "Notoginsenoside T1 [ C36 H60 O10, db=84.16, tgt=, overall=84.16, CAS ID=343962-53-8, HMP ID=HMDB39049, METLIN ID=93655 ]" 343962-53-8 "(653.4229, 18077.855)(654.426, 6809.308)(655.4272, 1584.8722)(656.4277, 547.56)" Notoginsenoside T1 + 17.93347 FindByFormula HMDB39049 + 652.4146 17.93347 Notoginsenoside T1 + 17.940668 "Notoginsenoside T1 [ C36 H60 O10, db=84.51, tgt=, overall=84.51, CAS ID=343962-53-8, HMP ID=HMDB39049, METLIN ID=93655 ]" 343962-53-8 "(653.4229, 19447.861)(654.42596, 7326.2715)(655.4277, 1492.1637)(656.4277, 547.56)" Notoginsenoside T1 + 17.940668 FindByFormula HMDB39049 + 652.4165 17.940668 Notoginsenoside T1 + 19.051332 "Notoginsenoside T1 [ C36 H60 O10, db=68.11, tgt=, overall=68.11, CAS ID=343962-53-8, HMP ID=HMDB39049, METLIN ID=93655 ]" 343962-53-8 "(653.42316, 1694.79)(654.4285, 599.96)(655.4187, 233.275)" Notoginsenoside T1 + 19.051332 FindByFormula HMDB39049 + 652.4165 19.051332 N-palmitoyl glutamic acid "N-palmitoyl glutamic acid [ C21 H39 N O5, db=95.48, tgt=, overall=95.48, Lipid ID=LMFA08020087, METLIN ID=75469 ]" "(386.29102, 9021.407)(387.29257, 2201.8477)(388.29755, 445.93723)(424.2497, 152.08499)(408.52158, 2218.1575)(409.26822, 801.87335)" N-palmitoyl glutamic acid FindByFormula + LMFA08020087 385.2837 10.983064 N-palmitoyl glutamic acid + 10.833727 "N-palmitoyl glutamic acid [ C21 H39 N O5, db=95.07, tgt=, overall=95.07, Lipid ID=LMFA08020087, METLIN ID=75469 ]" "(386.29013, 8005.278)(387.29318, 1952.7782)(388.3007, 485.66333)(408.27103, 1089.8734)(409.26465, 386.72668)" N-palmitoyl glutamic acid + 10.833727 FindByFormula + LMFA08020087 385.2824 10.833727 N-palmitoyl glutamic acid + 10.927 "N-palmitoyl glutamic acid [ C21 H39 N O5, db=94.36, tgt=, overall=94.36, Lipid ID=LMFA08020087, METLIN ID=75469 ]" "(386.29, 12112.274)(387.29175, 2994.0452)(388.2981, 784.145)(424.2506, 232.48)(408.2699, 1563.63)(409.2627, 680.41)" N-palmitoyl glutamic acid + 10.927 FindByFormula + LMFA08020087 385.2817 10.927 N-palmitoyl glutamic acid + 11.002929 "N-palmitoyl glutamic acid [ C21 H39 N O5, db=96.06, tgt=, overall=96.06, Lipid ID=LMFA08020087, METLIN ID=75469 ]" "(386.29123, 9858.017)(387.2934, 2387.6836)(388.2978, 420.904)(424.2469, 70.68)(408.60315, 2178.53)(409.2695, 1255.2599)" N-palmitoyl glutamic acid + 11.002929 FindByFormula + LMFA08020087 385.2841 11.002929 N-palmitoyl glutamic acid + 11.024273 "N-palmitoyl glutamic acid [ C21 H39 N O5, db=96.18, tgt=, overall=96.18, Lipid ID=LMFA08020087, METLIN ID=75469 ]" "(386.2908, 9800.884)(387.29236, 2381.329)(388.29626, 488.329)(424.2474, 162.02)(408.4698, 2053.876)(409.26578, 1107.5834)" N-palmitoyl glutamic acid + 11.024273 FindByFormula + LMFA08020087 385.2829 11.024273 N-palmitoyl histidine "N-palmitoyl histidine [ C22 H39 N3 O3, db=77.78, tgt=, overall=77.78, Lipid ID=LMFA08020132, METLIN ID=75514 ]" "(416.2871, 4365.081)(417.2876, 1157.7528)(418.28766, 296.25714)(454.24048, 900.845)(438.2688, 3292.8987)(439.267, 815.8184)(440.2621, 176.8475)" N-palmitoyl histidine FindByFormula + LMFA08020132 415.2799 1.808643 N-palmitoyl methionine "N-palmitoyl methionine [ C21 H41 N O3 S, db=47.00, tgt=, overall=47.00, Lipid ID=LMFA08020109, METLIN ID=75491 ]" "(388.28513, 2199.9602)(389.2886, 478.23)(426.24435, 2418.935)" N-palmitoyl methionine FindByFormula + LMFA08020109 387.2824 11.909667 N-palmitoyl serine "N-palmitoyl serine [ C19 H37 N O4, db=98.73, tgt=, overall=98.73, Lipid ID=LMFA08020101, METLIN ID=75483 ]" "(344.27933, 21298.152)(345.2825, 4718.462)(346.28253, 823.07715)(382.2324, 608.28)(366.26065, 3441.964)(367.26508, 992.951)" N-palmitoyl serine FindByFormula + LMFA08020101 343.2731 11.664875 N-palmitoyl serine + 11.658125 "N-palmitoyl serine [ C19 H37 N O4, db=99.18, tgt=, overall=99.18, Lipid ID=LMFA08020101, METLIN ID=75483 ]" "(344.27924, 28935.55)(345.28247, 6432.471)(346.28302, 1027.3113)(347.3014, 133.68)(382.23294, 684.4133)(366.26123, 4575.4736)(367.2662, 1112.24)" N-palmitoyl serine + 11.658125 FindByFormula + LMFA08020101 343.2729 11.658125 N-palmitoyl threonine "N-palmitoyl threonine [ C20 H39 N O4, db=97.48, tgt=, overall=97.48, Lipid ID=LMFA08020107, METLIN ID=75489 ]" "(358.29553, 10257.815)(359.29776, 2515.5068)(360.3001, 439.49503)(396.2518, 187.305)(397.26, 60.13)(380.27704, 1581.0586)(381.2764, 503.13998)" N-palmitoyl threonine FindByFormula + LMFA08020107 357.288 12.093801 N-palmitoyl threonine + 12.112666 "N-palmitoyl threonine [ C20 H39 N O4, db=99.00, tgt=, overall=99.00, Lipid ID=LMFA08020107, METLIN ID=75489 ]" "(358.29492, 13845.163)(359.29776, 3098.4934)(360.30136, 590.73663)(380.27722, 1338.705)(381.28107, 289.41998)" N-palmitoyl threonine + 12.112666 FindByFormula + LMFA08020107 357.2874 12.112666 n-Pentadecylamine "n-Pentadecylamine [ C15 H33 N, db=95.23, tgt=, overall=95.23, CAS ID=2570-26-5, METLIN ID=34540 ]" 2570-26-5 "(228.26772, 6645.6987)(229.27109, 1238.3186)(230.27171, 167.36665)" n-Pentadecylamine FindByFormula + 227.2618 11.647142 n-Pentadecylamine + 11.661167 "n-Pentadecylamine [ C15 H33 N, db=85.61, tgt=, overall=85.61, CAS ID=2570-26-5, METLIN ID=34540 ]" 2570-26-5 "(228.26826, 4802.029)(229.27191, 913.0926)" n-Pentadecylamine + 11.661167 FindByFormula + 227.262 11.661167 N-stearoyl glutamic acid "N-stearoyl glutamic acid [ C23 H43 N O5, db=88.78, tgt=, overall=88.78, Lipid ID=LMFA08020090, METLIN ID=75472 ]" "(414.31982, 7266.7754)(415.322, 1900.4855)(416.32278, 364.6318)" N-stearoyl glutamic acid FindByFormula + LMFA08020090 413.3146 17.553633 N-stearoyl glutamic acid + 12.002749 "N-stearoyl glutamic acid [ C23 H43 N O5, db=80.06, tgt=, overall=80.06, Lipid ID=LMFA08020090, METLIN ID=75472 ]" "(414.31964, 16346.309)(415.32153, 4512.4517)(416.3316, 1406.0575)(452.2829, 259.7)(436.30145, 2979.4487)(437.30322, 1054.275)" N-stearoyl glutamic acid + 12.002749 FindByFormula + LMFA08020090 413.3153 12.002749 N-stearoyl glutamic acid + 12.0064 "N-stearoyl glutamic acid [ C23 H43 N O5, db=96.65, tgt=, overall=96.65, Lipid ID=LMFA08020090, METLIN ID=75472 ]" "(414.32138, 19388.875)(415.32388, 5403.602)(416.3304, 1163.726)(436.30292, 3281.98)(437.30292, 984.2601)" N-stearoyl glutamic acid + 12.0064 FindByFormula + LMFA08020090 413.3154 12.0064 N-stearoyl glutamic acid + 12.077817 "N-stearoyl glutamic acid [ C23 H43 N O5, db=85.32, tgt=, overall=85.32, Lipid ID=LMFA08020090, METLIN ID=75472 ]" "(414.31934, 10287.636)(415.3215, 2800.2766)(416.32532, 675.18774)(452.2827, 399.35)(436.3005, 2671.2551)(437.30365, 978.41626)(438.31207, 891.66)" N-stearoyl glutamic acid + 12.077817 FindByFormula + LMFA08020090 413.3122 12.077817 N-stearoyl serine "N-stearoyl serine [ C21 H41 N O4, db=98.97, tgt=, overall=98.97, Lipid ID=LMFA08020102, METLIN ID=75484 ]" "(372.3107, 24348.623)(373.3134, 6079.812)(374.31674, 940.7194)(410.2634, 1876.787)(411.267, 416.6567)(394.29163, 2706.5613)(395.2907, 693.60504)(396.29184, 123.152504)" N-stearoyl serine FindByFormula + LMFA08020102 371.3028 13.168402 N-stearoyl serine + 12.338333 "N-stearoyl serine [ C21 H41 N O4, db=61.33, tgt=, overall=61.33, Lipid ID=LMFA08020102, METLIN ID=75484 ]" "(394.2915, 1829.91)(395.29312, 607.9283)" N-stearoyl serine + 12.338333 FindByFormula + LMFA08020102 393.2878 12.338333 N-stearoyl serine + 13.157815 "N-stearoyl serine [ C21 H41 N O4, db=98.98, tgt=, overall=98.98, Lipid ID=LMFA08020102, METLIN ID=75484 ]" "(372.3108, 23694.61)(373.31363, 5914.251)(374.3149, 838.1773)(375.3164, 241.38)(410.2635, 1611.5172)(411.26794, 244.82832)(394.29166, 2438.0764)(395.29065, 729.79626)(396.29608, 164.102)" N-stearoyl serine + 13.157815 FindByFormula + LMFA08020102 371.3034 13.157815 N-stearoyl serine + 13.180525 "N-stearoyl serine [ C21 H41 N O4, db=99.17, tgt=, overall=99.17, Lipid ID=LMFA08020102, METLIN ID=75484 ]" "(372.3108, 25565.006)(373.31372, 6322.5244)(374.3162, 1181.7858)(410.26324, 2042.3981)(411.26395, 458.95886)(394.2916, 2529.9475)(395.29227, 853.41174)(396.28998, 125.99249)" N-stearoyl serine + 13.180525 FindByFormula + LMFA08020102 371.3037 13.180525 N-stearoyl tyrosine "N-stearoyl tyrosine [ C27 H45 N O4, mfg=67.98, db=67.69, tgt=, overall=67.83, Lipid ID=LMFA08020100, METLIN ID=75482 ]" "(448.34204, 3580.7815)(449.34177, 1241.8329)" N-stearoyl tyrosine FindByFormula + LMFA08020100 447.335 14.199143 N-stearoyl tyrosine + 14.202889 "N-stearoyl tyrosine [ C27 H45 N O4, db=70.79, tgt=, overall=70.79, Lipid ID=LMFA08020100, METLIN ID=75482 ]" "(448.34216, 3945.112)(449.3429, 1386.6001)" N-stearoyl tyrosine + 14.202889 FindByFormula + LMFA08020100 447.3369 14.202889 N-stearoyl tyrosine + 15.3532 "N-stearoyl tyrosine [ C27 H45 N O4, db=73.02, tgt=, overall=73.02, Lipid ID=LMFA08020100, METLIN ID=75482 ]" "(448.34113, 3665.2417)(449.34302, 1206.66)" N-stearoyl tyrosine + 15.3532 FindByFormula + LMFA08020100 447.3343 15.3532 N-stearoyl tyrosine + 8.821332 "N-stearoyl tyrosine [ C27 H45 N O4, db=65.79, tgt=, overall=65.79, Lipid ID=LMFA08020100, METLIN ID=75482 ]" "(448.3406, 2941.3467)(449.34268, 1073.0767)" N-stearoyl tyrosine + 8.821332 FindByFormula + LMFA08020100 447.3325 8.821332 N-stearoyl tyrosine + 9.120501 "N-stearoyl tyrosine [ C27 H45 N O4, db=62.41, tgt=, overall=62.41, Lipid ID=LMFA08020100, METLIN ID=75482 ]" "(448.34113, 2536.12)(449.33984, 799.33997)" N-stearoyl tyrosine + 9.120501 FindByFormula + LMFA08020100 447.3338 9.120501 N-tert-Butyloxycarbonyl-deacetyl-leupeptin "N-tert-Butyloxycarbonyl-deacetyl-leupeptin [ C23 H44 N6 O5, db=78.05, tgt=, overall=78.05, KEGG ID=C11604, METLIN ID=69125 ]" "(483.3291, 2272.5266)(484.33154, 676.1533)" N-tert-Butyloxycarbonyl-deacetyl-leupeptin FindByFormula - C11604 484.3366 10.981999 "O-6-deoxy-a-L-galactopyranosyl-(1-2)-O-b-D-galactopyranosyl-(1-3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol" "O-6-deoxy-a-L-galactopyranosyl-(1-2)-O-b-D-galactopyranosyl-(1-3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol [ C20 H33 N O14, db=69.97, tgt=, overall=69.97, CAS ID=868264-24-8, HMP ID=HMDB02235, METLIN ID=58110 ]" 868264-24-8 "(512.1979, 2104.6821)(513.20276, 614.26404)" "O-6-deoxy-a-L-galactopyranosyl-(1-2)-O-b-D-galactopyranosyl-(1-3)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol" FindByFormula HMDB02235 + 511.1918 26.918201 O-Benzyl-L-serine "O-Benzyl-L-serine [ C10 H13 N O3, db=82.72, tgt=, overall=82.72, CAS ID=4726-96-9, METLIN ID=44267 ]" 4726-96-9 "(196.0971, 3324.325)(197.09964, 496.925)(218.07986, 622.44)" O-Benzyl-L-serine FindByFormula + 195.0904 2.672 Octadecyl fumarate "Octadecyl fumarate [ C22 H40 O4, db=71.86, tgt=, overall=71.86, CAS ID=1741-93-1, HMP ID=HMDB38073, METLIN ID=92842 ]" 1741-93-1 "(391.28217, 8079.22)(392.28613, 2682.7651)" Octadecyl fumarate FindByFormula HMDB38073 + 390.276 9.587 Octadecyl fumarate + 9.587 "Octadecyl fumarate [ C22 H40 O4, db=71.86, tgt=, overall=71.86, CAS ID=1741-93-1, HMP ID=HMDB38073, METLIN ID=92842 ]" 1741-93-1 "(391.28217, 8079.22)(392.28613, 2682.7651)" Octadecyl fumarate + 9.587 FindByFormula HMDB38073 + 390.2758 9.587 Octopine "Octopine [ C9 H18 N4 O4, mfg=71.53, db=71.55, tgt=, overall=71.54, CAS ID=34522-32-2, KEGG ID=C04137, METLIN ID=3377 ]" 34522-32-2 "(247.13972, 5371.0234)(248.13654, 422.18668)(285.0967, 69.58)(269.1239, 401.995)" Octopine FindByFormula + C04137 246.1328 0.99466664 Octylamine "Octylamine [ C8 H19 N, db=98.86, tgt=, overall=98.86, CAS ID=111-86-4, KEGG ID=C01740, METLIN ID=65641 ]" 111-86-4 "(130.15923, 8903.993)(131.16232, 950.2653)(132.16656, 100.30001)" Octylamine FindByFormula + C01740 129.1521 6.4670663 Octylamine + 6.4750557 "Octylamine [ C8 H19 N, db=97.83, tgt=, overall=97.83, CAS ID=111-86-4, KEGG ID=C01740, METLIN ID=65641 ]" 111-86-4 "(130.15921, 8006.9697)(131.16199, 816.34326)(132.16087, 141.19)" Octylamine + 6.4750557 FindByFormula + C01740 129.152 6.4750557 OH-Spheroidenone "OH-Spheroidenone [ C41 H60 O3, mfg=77.48, db=77.48, tgt=, overall=77.48, Lipid ID=LMPR01070151, KEGG ID=C15905, METLIN ID=41406 ]" "(601.46423, 6455.541)(602.46594, 2406.2263)(603.46497, 888.71375)(604.4629, 217.0675)" OH-Spheroidenone FindByFormula + C15905 LMPR01070151 600.4579 26.06875 Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) "Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) [ C33 H32 O15, db=55.72, tgt=, overall=55.72, Lipid ID=LMPK12120179, METLIN ID=51983 ]" "(691.1632, 1085.8676)(692.1619, 484.96747)" Okanin 4-methyl ether 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) FindByFormula + LMPK12120179 690.1536 13.65875 Okanin 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside) "Okanin 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside) [ C39 H34 O16, db=81.79, tgt=, overall=81.79, Lipid ID=LMPK12120177, METLIN ID=51981 ]" "(759.1938, 4358.085)(760.1942, 2386.83)(761.19666, 828.265)" Okanin 4'-O-(2''-O-caffeoyl-6''-O-p-coumaroylglucoside) FindByFormula + LMPK12120177 758.1809 1.9554999 Oleamide "Oleamide [ C18 H35 N O, db=99.14, tgt=, overall=99.14, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.27917, 16462.074)(283.28223, 3365.8958)(284.28745, 557.7217)(304.25943, 891.1439)" Oleamide FindByFormula HMDB02117 + C19670 LMFA08010004 281.2712 20.424538 Oleamide + 12.7742 "Oleamide [ C18 H35 N O, db=77.74, tgt=, overall=77.74, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.27972, 3382.478)(283.28168, 863.5189)" Oleamide + 12.7742 FindByFormula HMDB02117 + C19670 LMFA08010004 281.2728 12.7742 Oleamide + 12.7787285 "Oleamide [ C18 H35 N O, db=79.13, tgt=, overall=79.13, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.27924, 3501.505)(283.2807, 832.5564)" Oleamide + 12.7787285 FindByFormula HMDB02117 + C19670 LMFA08010004 281.2716 12.7787285 Oleamide + 12.799335 "Oleamide [ C18 H35 N O, db=70.21, tgt=, overall=70.21, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.28, 3181.93)(283.28195, 926.82837)" Oleamide + 12.799335 FindByFormula HMDB02117 + C19670 LMFA08010004 281.273 12.799335 Oleamide + 20.4182 "Oleamide [ C18 H35 N O, db=97.26, tgt=, overall=97.26, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.27847, 12724.914)(283.28137, 2427.366)(284.28586, 365.76334)(304.25723, 657.51)" Oleamide + 20.4182 FindByFormula HMDB02117 + C19670 LMFA08010004 281.2709 20.4182 Oleamide + 20.44216 "Oleamide [ C18 H35 N O, db=99.56, tgt=, overall=99.56, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.27924, 16732.947)(283.2823, 3420.49)(284.28546, 530.71936)(304.25943, 681.29926)" Oleamide + 20.44216 FindByFormula HMDB02117 + C19670 LMFA08010004 281.2713 20.44216 Oleamide + 20.747446 "Oleamide [ C18 H35 N O, db=94.39, tgt=, overall=94.39, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.27853, 5051.023)(283.28183, 1087.1555)(284.28528, 306.68)(304.2574, 309.42)" Oleamide + 20.747446 FindByFormula HMDB02117 + C19670 LMFA08010004 281.2715 20.747446 Oleamide + 21.336332 "Oleamide [ C18 H35 N O, db=71.00, tgt=, overall=71.00, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.27884, 1592.4933)(283.28256, 235.25)(284.2904, 174.04)(304.2586, 349.69)" Oleamide + 21.336332 FindByFormula HMDB02117 + C19670 LMFA08010004 281.2719 21.336332 Oleamide + 21.380333 "Oleamide [ C18 H35 N O, db=87.23, tgt=, overall=87.23, CAS ID=301-02-0, Lipid ID=LMFA08010004, KEGG ID=C19670, HMP ID=HMDB02117, METLIN ID=4115 ]" 301-02-0 "(282.2786, 1581.7134)(283.2819, 306.33667)(284.2846, 140.87)" Oleamide + 21.380333 FindByFormula HMDB02117 + C19670 LMFA08010004 281.2711 21.380333 Oleandolide "Oleandolide [ C20 H34 O7, db=91.81, tgt=, overall=91.81, Lipid ID=LMPK04000031, KEGG ID=C11990, METLIN ID=40995 ]" "(817.4437, 327.98)(409.2205, 5357.3984)(410.22244, 1379.7457)(411.2268, 422.7517)" Oleandolide FindByFormula + C11990 LMPK04000031 408.2129 8.710143 Oleandolide + 8.7725 "Oleandolide [ C20 H34 O7, db=93.64, tgt=, overall=93.64, Lipid ID=LMPK04000031, KEGG ID=C11990, METLIN ID=40995 ]" "(409.22083, 5537.642)(410.22247, 1200.8724)(411.22418, 308.9975)(447.1783, 51.04)" Oleandolide + 8.7725 FindByFormula + C11990 LMPK04000031 408.2154 8.7725 Oleandomycin 2'-O-phosphate "Oleandomycin 2'-O-phosphate [ C35 H62 N O15 P, db=85.55, tgt=, overall=85.55, KEGG ID=C03796, METLIN ID=40969 ]" "(746.39746, 2885.06)(747.3955, 1120.0425)(748.3867, 459.56665)(768.3893, 13482.933)(769.3932, 5107.7744)(770.3979, 1297.0779)" Oleandomycin 2'-O-phosphate FindByFormula + C03796 745.4122 7.4365997 Oleandomycin 2'-O-phosphate + 7.44 "Oleandomycin 2'-O-phosphate [ C35 H62 N O15 P, db=86.68, tgt=, overall=86.68, KEGG ID=C03796, METLIN ID=40969 ]" "(768.3877, 5761.8867)(769.3902, 2411.4866)(770.3948, 656.345)(806.3384, 682.545)(790.3726, 7026.7896)(791.3755, 2924.67)(792.3747, 860.7)" Oleandomycin 2'-O-phosphate + 7.44 FindByFormula + C03796 767.3863 7.44 Oleandomycin 2'-O-phosphate + 7.4484997 "Oleandomycin 2'-O-phosphate [ C35 H62 N O15 P, db=91.50, tgt=, overall=91.50, KEGG ID=C03796, METLIN ID=40969 ]" "(790.37415, 17638.701)(791.3785, 6544.755)(792.3882, 1733.62)(793.3939, 521.1775)(828.3436, 783.76)" Oleandomycin 2'-O-phosphate + 7.4484997 FindByFormula + C03796 789.3648 7.4484997 Oleic acid(d2) "Oleic acid(d2) [ C18 H32 D2 O2, db=80.11, tgt=, overall=80.11, CAS ID=5711-29-5, Lipid ID=LMFA01030810, METLIN ID=45812 ]" 5711-29-5 "(283.26248, 3934.58)(284.26526, 710.97)" Oleic acid(d2) FindByFormula - LMFA01030810 284.2697 16.729666 Oleoside dimethyl ester "Oleoside dimethyl ester [ C18 H26 O11, db=78.82, tgt=, overall=78.82, CAS ID=30164-95-5, HMP ID=HMDB31350, METLIN ID=87604 ]" 30164-95-5 "(441.1372, 2669.555)(442.1416, 603.185)" Oleoside dimethyl ester FindByFormula HMDB31350 + 440.1298 9.066999 Oleoyl Ethyl Amide "Oleoyl Ethyl Amide [ C20 H39 N O, db=84.37, tgt=, overall=84.37, CAS ID=85075-82-7, METLIN ID=44905 ]" 85075-82-7 "(641.58984, 268.0)(310.31085, 2202.2886)(311.3137, 529.2145)(332.28748, 235.54668)" Oleoyl Ethyl Amide FindByFormula + 309.3027 22.678555 Oleoylglycerone phosphate "Oleoylglycerone phosphate [ C21 H39 O7 P, db=61.38, tgt=, overall=61.38, KEGG ID=C03630, METLIN ID=66014 ]" "(435.24942, 8953.205)(436.25317, 2397.3398)(437.24243, 1112.8916)(438.23935, 356.40802)" Oleoylglycerone phosphate FindByFormula + C03630 434.2384 17.570002 Oleuroside "Oleuroside [ C25 H32 O13, db=76.09, tgt=, overall=76.09, CAS ID=116383-31-4, HMP ID=HMDB35352, METLIN ID=90652 ]" 116383-31-4 "(541.1908, 3444.3462)(542.1925, 1121.9199)(543.18744, 393.316)" Oleuroside FindByFormula HMDB35352 + 540.1868 18.019001 Orbencarb "Orbencarb [ C12 H16 Cl N O S, db=67.00, tgt=, overall=67.00, CAS ID=34622-58-7, KEGG ID=C11087, METLIN ID=68829 ]" 34622-58-7 "(258.07056, 3128.98)(259.07263, 542.455)(260.068, 362.27)(280.05353, 838.1)" Orbencarb FindByFormula + C11087 257.0597 2.4505 ORG 20599 "ORG 20599 [ C25 H40 Cl N O3, db=11.68, tgt=, overall=11.68, KEGG ID=C13804, METLIN ID=69711 ]" "(460.25775, 1981.73)(461.24817, 1076.7)" ORG 20599 FindByFormula + C13804 459.2482 1.8355 Ornithokinin "Ornithokinin [ C48 H77 N15 O11, db=6.50, tgt=, overall=6.50, CAS ID=14042-92-3, HMP ID=HMDB38224, METLIN ID=92953 ]" 14042-92-3 "(1040.6025, 15775.45)(1041.102, 8582.885)(1041.6003, 2830.3901)(1042.1115, 1749.6399)" Ornithokinin FindByFormula HMDB38224 + 2079.1887 9.7085 Ornithokinin - 7.6008005 "Ornithokinin [ C48 H77 N15 O11, db=57.84, tgt=, overall=57.84, CAS ID=14042-92-3, HMP ID=HMDB38224, METLIN ID=92953 ]" 14042-92-3 "(1038.5881, 3718.2847)(1039.5901, 2088.772)(518.79065, 762.381)" Ornithokinin - 7.6008005 FindByFormula HMDB38224 - 519.7964 7.6008005 Ornithokinin - 7.613778 "Ornithokinin [ C48 H77 N15 O11, db=82.92, tgt=, overall=82.92, CAS ID=14042-92-3, HMP ID=HMDB38224, METLIN ID=92953 ]" 14042-92-3 "(518.79224, 1165.8301)(519.29205, 666.30005)(519.794, 208.46332)(1038.59, 4758.899)(1039.5923, 2716.9268)(1040.596, 978.8444)(1041.5974, 426.8557)" Ornithokinin - 7.613778 FindByFormula HMDB38224 - 1039.5955 7.613778 Ornithokinin + 7.5959997 "Ornithokinin [ C48 H77 N15 O11, db=82.49, tgt=, overall=82.49, CAS ID=14042-92-3, HMP ID=HMDB38224, METLIN ID=92953 ]" 14042-92-3 "(1062.5813, 23658.4)(1063.5802, 13113.483)(1064.5776, 4384.989)(1065.5796, 1009.71497)(1100.5354, 3111.354)(1101.5378, 1566.5221)(1102.5492, 761.7575)(1084.5632, 7401.247)(1085.5646, 4534.584)(1086.565, 1886.4076)" Ornithokinin + 7.5959997 FindByFormula HMDB38224 + 1061.58 7.5959997 Osmundalin "Osmundalin [ C12 H18 O8, db=73.15, tgt=, overall=73.15, CAS ID=54835-71-1, HMP ID=HMDB31304, METLIN ID=87571 ]" 54835-71-1 "(313.08975, 2711.8633)(314.09305, 576.9133)" Osmundalin FindByFormula HMDB31304 + 312.0839 1.5263333 Osmundalin + 1.7973334 "Osmundalin [ C12 H18 O8, db=79.63, tgt=, overall=79.63, CAS ID=54835-71-1, HMP ID=HMDB31304, METLIN ID=87571 ]" 54835-71-1 "(313.08972, 4649.427)(314.0951, 696.06006)" Osmundalin + 1.7973334 FindByFormula HMDB31304 + 312.0827 1.7973334 Osmundalin + 2.1973333 "Osmundalin [ C12 H18 O8, db=73.47, tgt=, overall=73.47, CAS ID=54835-71-1, HMP ID=HMDB31304, METLIN ID=87571 ]" 54835-71-1 "(313.08945, 2663.0867)(314.09106, 519.23334)" Osmundalin + 2.1973333 FindByFormula HMDB31304 + 312.0828 2.1973333 Ovalitenin A "Ovalitenin A [ C18 H14 O3, db=78.16, tgt=, overall=78.16, Lipid ID=LMPK12120003, METLIN ID=51809 ]" "(279.10236, 2436.355)(280.10745, 492.21002)(301.08505, 821.355)" Ovalitenin A FindByFormula + LMPK12120003 278.0957 1.799 Oxotremorine "Oxotremorine [ C12 H18 N2 O, db=85.23, tgt=, overall=85.23, CAS ID=70-22-4, KEGG ID=C07485, METLIN ID=44356 ]" 70-22-4 "(207.14938, 8105.8486)(208.15201, 1334.87)(245.1076, 249.96)(229.13338, 1832.2181)(230.13164, 311.90997)" Oxotremorine FindByFormula + C07485 206.1421 6.853375 Oxprenolol "Oxprenolol [ C15 H23 N O3, db=99.46, tgt=, overall=99.46, CAS ID=6452-71-7, KEGG ID=D08318, METLIN ID=1681 ]" 6452-71-7 "(266.17523, 28847.355)(267.17877, 5008.6875)(268.17847, 673.5325)(304.13052, 581.87335)(288.15628, 4834.585)(289.15964, 806.3275)" Oxprenolol FindByFormula + D08318 265.1678 6.3565 Oxyphencyclimine "Oxyphencyclimine [ C20 H28 N2 O3, db=8.58, tgt=, overall=8.58, CAS ID=125-53-1, KEGG ID=C07851, METLIN ID=44371 ]" 125-53-1 "(345.21683, 1589.5239)(345.71683, 584.204)(346.22266, 109.05499)(689.4181, 1394.426)(690.4173, 567.986)(711.4035, 806.24)(712.4055, 288.05)" Oxyphencyclimine FindByFormula + C07851 688.4138 3.3121998 Oxyphencyclimine - 7.24 "Oxyphencyclimine [ C20 H28 N2 O3, db=68.04, tgt=, overall=68.04, CAS ID=125-53-1, KEGG ID=C07851, METLIN ID=44371 ]" 125-53-1 "(343.20197, 1246.705)(344.20184, 209.98001)" Oxyphencyclimine - 7.24 FindByFormula - C07851 344.2083 7.24 "p,gamma-Dihydroxyphenylbutazone" "p,gamma-Dihydroxyphenylbutazone [ C19 H20 N2 O4, db=75.44, tgt=, overall=75.44, CAS ID=7720-49-2, METLIN ID=1842 ]" 7720-49-2 "(341.1483, 5158.72)(342.15146, 1350.9943)" "p,gamma-Dihydroxyphenylbutazone" FindByFormula + 340.142 9.065417 PA(14:0/12:0) "PA(14:0/12:0) [ C29 H57 O8 P, db=68.22, tgt=, overall=68.22, Lipid ID=LMGP10010933, METLIN ID=82099 ]" "(587.3692, 2088.7034)(588.3711, 844.17)" PA(14:0/12:0) FindByFormula + LMGP10010933 586.3609 13.131333 "PA(14:1(9Z)/18:3(9Z,12Z,15Z))" "PA(14:1(9Z)/18:3(9Z,12Z,15Z)) [ C35 H61 O8 P, db=66.22, tgt=, overall=66.22, Lipid ID=LMGP10010121, METLIN ID=81287 ]" "(343.19543, 13328.615)(343.69763, 303.615)(344.19812, 2639.28)" "PA(14:1(9Z)/18:3(9Z,12Z,15Z))" FindByFormula + LMGP10010121 684.3756 20.4655 PA(15:1(9Z)/0:0) "PA(15:1(9Z)/0:0) [ C18 H35 O7 P, db=62.77, tgt=, overall=62.77, Lipid ID=LMGP10050021, METLIN ID=82340 ]" "(417.20148, 2520.2148)(418.2037, 884.06244)" PA(15:1(9Z)/0:0) FindByFormula + LMGP10050021 416.1928 20.4935 PA(17:0/13:0) "PA(17:0/13:0) [ C33 H65 O8 P, db=14.86, tgt=, overall=14.86, Lipid ID=LMGP10010898, METLIN ID=82064 ]" "(1241.8881, 18719.945)(1242.3881, 9459.458)(1242.8848, 3058.155)(1243.3926, 1248.1985)(1243.911, 586.6325)(1263.8689, 1600.982)(1264.3519, 911.76794)(1252.8761, 3964.319)(1253.3733, 2434.145)(1253.88, 1014.2975)(621.45044, 15569.726)(621.95044, 3083.376)(622.4514, 572.04126)(622.95355, 261.28665)(1263.8585, 1333.5533)" PA(17:0/13:0) FindByFormula + LMGP10010898 1240.8806 7.2066364 PA(17:0/15:1(9Z)) "PA(17:0/15:1(9Z)) [ C35 H67 O8 P, db=80.49, tgt=, overall=80.49, Lipid ID=LMGP10010226, METLIN ID=81392 ]" "(647.46765, 2992.195)(648.4696, 1051.3163)(649.4676, 371.25372)" PA(17:0/15:1(9Z)) FindByFormula + LMGP10010226 646.4591 22.20075 PA(18:1(9Z)/0:0) "PA(18:1(9Z)/0:0) [ C21 H41 O7 P, db=96.11, tgt=, overall=96.11, Lipid ID=LMGP10050008, METLIN ID=40946 ]" "(459.2487, 15404.848)(460.25168, 3914.5508)(461.25586, 1106.6083)(497.2042, 50.06)" PA(18:1(9Z)/0:0) FindByFormula + LMGP10050008 458.2419 14.794946 PA(18:1(9Z)/0:0) + 14.7659 "PA(18:1(9Z)/0:0) [ C21 H41 O7 P, db=98.63, tgt=, overall=98.63, Lipid ID=LMGP10050008, METLIN ID=40946 ]" "(459.2486, 17557.084)(460.25165, 4316.998)(461.25305, 963.4833)(497.1979, 298.0)" PA(18:1(9Z)/0:0) + 14.7659 FindByFormula + LMGP10050008 458.2398 14.7659 "PA(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))" "PA(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) [ C35 H59 O8 P, db=70.88, tgt=, overall=70.88, Lipid ID=LMGP10010426, METLIN ID=81592 ]" "(639.40454, 2915.21)(640.4088, 1116.066)(641.40576, 603.21497)" "PA(18:4(6Z,9Z,12Z,15Z)/14:1(9Z))" FindByFormula + LMGP10010426 638.3965 29.3724 "PA(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) + 29.8045" "PA(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) [ C35 H59 O8 P, db=81.10, tgt=, overall=81.10, Lipid ID=LMGP10010426, METLIN ID=81592 ]" "(639.405, 7714.8994)(640.40936, 2904.395)(641.4023, 682.61)" "PA(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)) + 29.8045" FindByFormula + LMGP10010426 638.3971 29.8045 "PA(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))" "PA(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) [ C41 H65 O8 P, db=90.23, tgt=, overall=90.23, Lipid ID=LMGP10010446, METLIN ID=81612 ]" "(715.436, 5405.3955)(716.4385, 2028.5862)(717.4389, 555.53253)" "PA(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))" FindByFormula - LMGP10010446 716.4468 6.9179373 PA(20:1(11Z)/0:0) "PA(20:1(11Z)/0:0) [ C23 H45 O7 P, db=85.75, tgt=, overall=85.75, Lipid ID=LMGP10050026, METLIN ID=82345 ]" "(487.27924, 13061.717)(488.28818, 3278.5725)(489.28018, 849.60254)" PA(20:1(11Z)/0:0) FindByFormula + LMGP10050026 486.2741 17.223751 "PA(20:2(11Z,14Z)/0:0)" "PA(20:2(11Z,14Z)/0:0) [ C23 H43 O7 P, db=80.57, tgt=, overall=80.57, Lipid ID=LMGP10050027, METLIN ID=82346 ]" "(485.2647, 5442.7144)(486.27213, 1263.6888)(487.26935, 495.6143)" "PA(20:2(11Z,14Z)/0:0)" FindByFormula + LMGP10050027 484.2563 15.325335 "PA(21:4(6Z,9Z,12Z,15Z)/0:0)" "PA(21:4(6Z,9Z,12Z,15Z)/0:0) [ C24 H41 O7 P, db=90.64, tgt=, overall=90.64, CAS ID=1037125-07-7, Lipid ID=LMGP10050003, METLIN ID=40941 ]" 1037125-07-7 "(495.24738, 12401.36)(496.24988, 2947.44)(497.2586, 886.21)" "PA(21:4(6Z,9Z,12Z,15Z)/0:0)" FindByFormula + LMGP10050003 494.2396 22.217 "PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))" "PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)) [ C45 H67 O8 P, db=69.99, tgt=, overall=69.99, Lipid ID=LMGP10010839, METLIN ID=82005 ]" "(1615.8475, 351.945)(789.44415, 31257.193)(790.448, 12602.334)(791.44275, 3785.8857)(792.4409, 2001.8175)(827.4069, 484.65497)" "PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z))" FindByFormula + LMGP10010839 788.4365 8.378091 PA(O-16:0/14:0) "PA(O-16:0/14:0) [ C33 H67 O7 P, db=65.22, tgt=, overall=65.22, Lipid ID=LMGP10020004, METLIN ID=82150 ]" "(629.453, 1292.5428)(630.45624, 590.19604)" PA(O-16:0/14:0) FindByFormula + LMGP10020004 628.4466 24.730701 "PA(O-16:0/20:4(5Z,8Z,11Z,14Z))" "PA(O-16:0/20:4(5Z,8Z,11Z,14Z)) [ C39 H71 O7 P, db=63.93, tgt=, overall=63.93, Lipid ID=LMGP10020092, METLIN ID=82238 ]" "(683.5036, 2849.735)(684.50397, 1447.7783)(685.50543, 1021.02167)" "PA(O-16:0/20:4(5Z,8Z,11Z,14Z))" FindByFormula + LMGP10020092 682.496 26.585833 Palmitamide "Palmitamide [ C16 H33 N O, db=82.63, tgt=, overall=82.63, CAS ID=629-54-9, HMP ID=HMDB12273, METLIN ID=62905 ]" 629-54-9 "(256.26447, 2119.29)(257.26666, 379.1475)" Palmitamide FindByFormula HMDB12273 + 255.2569 19.748749 Panaxydol linoleate "Panaxydol linoleate [ C35 H54 O3, db=82.07, tgt=, overall=82.07, CAS ID=155551-19-2, HMP ID=HMDB41205, METLIN ID=95626 ]" 155551-19-2 "(545.3982, 928.935)(546.3956, 309.715)(547.4, 84.31)" Panaxydol linoleate FindByFormula HMDB41205 + 544.39 20.5725 Panaxynol linoleate "Panaxynol linoleate [ C35 H54 O2, db=97.31, tgt=, overall=97.31, CAS ID=155551-18-1, HMP ID=HMDB41177, METLIN ID=95599 ]" 155551-18-1 "(1057.8186, 93.11)(1095.7747, 503.655)(265.2069, 6130.812)(265.70865, 2272.0476)(266.2109, 497.90884)(529.4028, 113722.6)(530.40564, 42510.453)(531.40814, 8709.491)(532.40985, 1638.9495)" Panaxynol linoleate FindByFormula HMDB41177 + 528.3943 7.803635 Panaxynol linoleate + 7.797 "Panaxynol linoleate [ C35 H54 O2, db=99.23, tgt=, overall=99.23, CAS ID=155551-18-1, HMP ID=HMDB41177, METLIN ID=95599 ]" 155551-18-1 "(1057.7959, 208.08)(1095.7628, 152.97)(265.2066, 5308.796)(265.70706, 2016.53)(266.20996, 489.945)(529.40137, 137142.05)(530.40485, 51211.68)(531.4068, 10832.854)(532.40924, 1663.926)" Panaxynol linoleate + 7.797 FindByFormula HMDB41177 + 528.3918 7.797 Pandamine "Pandamine [ C31 H44 N4 O5, db=2.49, tgt=, overall=2.49, CAS ID=10233-81-5, KEGG ID=C10012, METLIN ID=68091 ]" 10233-81-5 "(575.3183, 3232.7275)(575.8156, 1410.3325)(576.3137, 1060.9125)" Pandamine FindByFormula + C10012 1148.616 7.71925 Panose "Panose [ C18 H32 O16, db=68.55, tgt=, overall=68.55, CAS ID=33401-87-5, KEGG ID=C00713, METLIN ID=65526 ]" 33401-87-5 "(527.16003, 3657.5378)(528.163, 949.444)" Panose FindByFormula + C00713 526.1515 0.85200006 Panose - 6.792 "Panose [ C18 H32 O16, db=69.49, tgt=, overall=69.49, CAS ID=33401-87-5, KEGG ID=C00713, METLIN ID=65526 ]" 33401-87-5 "(503.16376, 5901.41)(504.16565, 1416.53)" Panose - 6.792 FindByFormula - C00713 504.1688 6.792 Pantothenic acid "Pantothenic acid [ C9 H17 N O5, mfg=93.02, db=98.28, tgt=, overall=49.14, CAS ID=79-83-4, Lipid ID=, KEGG ID=C00864, HMP ID=HMDB00210, METLIN ID=241, AGILENTID=29677 ]" 79-83-4 "(242.10045, 18477.188)(243.1037, 2040.1761)(244.10149, 366.69647)(280.05548, 507.1412)(264.08243, 3176.1108)(265.08313, 321.00525)(266.07922, 156.09917)" Pantothenic acid FindByFormula HMDB00210 + C00864 241.093 2.4675627 Pantothenic acid - 2.4547858 "Pantothenic acid [ C9 H17 N O5, db=86.25, tgt=, overall=86.25, CAS ID=79-83-4, Lipid ID=, KEGG ID=C00864, HMP ID=HMDB00210, METLIN ID=241, AGILENTID=29677 ]" 79-83-4 "(218.10385, 5776.285)(219.10698, 590.2964)" Pantothenic acid - 2.4547858 FindByFormula HMDB00210 - C00864 219.1098 2.4547858 Pantothenic acid + 2.4720476 "Pantothenic acid [ C9 H17 N O5, mfg=98.47, db=98.43, tgt=, overall=98.45, CAS ID=79-83-4, Lipid ID=, KEGG ID=C00864, HMP ID=HMDB00210, METLIN ID=241, AGILENTID=29677 ]" 79-83-4 "(477.1797, 408.086)(220.11838, 2489.1924)(221.11945, 326.72372)(258.06894, 2585.555)(259.06863, 219.60214)(242.10025, 16640.457)(243.10385, 1815.9084)(244.10245, 422.48505)" Pantothenic acid + 2.4720476 FindByFormula HMDB00210 + C00864 219.1109 2.4720476 Pateamine "Pateamine [ C31 H45 N3 O4 S, db=3.65, tgt=, overall=3.65, CAS ID=139220-18-1, KEGG ID=C19917, METLIN ID=73429 ]" 139220-18-1 "(556.3183, 2682.9668)(556.8075, 425.6367)(557.3131, 903.85333)" Pateamine FindByFormula + C19917 1110.6223 1.1409999 PC(2:0/O-16:0)[U] "PC(2:0/O-16:0)[U] [ C26 H54 N O7 P, db=92.33, tgt=, overall=92.33, CAS ID=, Lipid ID=LMGP01080008, METLIN ID=40161 ]" "(1047.7273, 2047.6222)(1048.7266, 1280.658)(1049.7241, 639.7511)(1069.7109, 19892.281)(1070.703, 17145.598)(1071.6996, 7158.8667)(1072.7169, 3699.84)(524.3684, 63253.25)(525.3712, 18801.629)(526.3742, 3655.709)(527.3738, 1033.5388)(562.32495, 11460.273)(563.3327, 3368.4885)(564.3278, 1660.9076)(565.3266, 1769.0468)(546.3549, 566530.5)(547.3588, 160347.42)(548.361, 30642.562)(549.3631, 5279.46)" PC(2:0/O-16:0)[U] FindByFormula + LMGP01080008 523.3608 17.265142 PC(2:0/O-16:0)[U] + 16.835249 "PC(2:0/O-16:0)[U] [ C26 H54 N O7 P, db=80.64, tgt=, overall=80.64, CAS ID=, Lipid ID=LMGP01080008, METLIN ID=40161 ]" "(524.3676, 6708.37)(525.3705, 1874.3075)(526.36993, 629.43)(546.35144, 16871.52)(547.3615, 3575.7598)(548.359, 739.86)" PC(2:0/O-16:0)[U] + 16.835249 FindByFormula + LMGP01080008 523.3605 16.835249 PC(2:0/O-16:0)[U] + 16.8495 "PC(2:0/O-16:0)[U] [ C26 H54 N O7 P, db=85.52, tgt=, overall=85.52, CAS ID=, Lipid ID=LMGP01080008, METLIN ID=40161 ]" "(546.3519, 199953.94)(547.3601, 54071.65)(548.36444, 13583.497)" PC(2:0/O-16:0)[U] + 16.8495 FindByFormula + LMGP01080008 545.3458 16.8495 PC(2:0/O-16:0)[U] + 17.302076 "PC(2:0/O-16:0)[U] [ C26 H54 N O7 P, db=99.19, tgt=, overall=99.19, CAS ID=, Lipid ID=LMGP01080008, METLIN ID=40161 ]" "(1047.7264, 1754.6201)(1048.7251, 1349.8943)(1049.7162, 100.8)(1069.7029, 702.79004)(1070.6882, 550.27)(1071.7032, 86.51)(524.36865, 89000.68)(525.3713, 26366.232)(526.3738, 5183.316)(527.3731, 638.46747)(562.32477, 17162.408)(563.3353, 5188.7896)(564.3299, 2246.2559)(546.3529, 946765.8)(547.357, 265428.53)(548.35986, 50381.25)(549.3584, 2036.14)" PC(2:0/O-16:0)[U] + 17.302076 FindByFormula + LMGP01080008 523.3632 17.302076 p-Chlorophenylalanine "p-Chlorophenylalanine [ C9 H10 Cl N O2, db=62.90, tgt=, overall=62.90, CAS ID=7424-00-2, METLIN ID=44308 ]" 7424-00-2 "(184.07533, 8570.187)(185.07556, 851.11145)(186.07413, 242.95798)(222.02956, 11307.88)(223.02917, 1108.4718)(224.02779, 1180.1791)(206.0555, 7442.342)(207.05455, 1075.7015)" p-Chlorophenylalanine FindByFormula + 183.0664 0.88649994 p-Chlorophenylalanine + 0.8021111 "p-Chlorophenylalanine [ C9 H10 Cl N O2, db=61.41, tgt=, overall=61.41, CAS ID=7424-00-2, METLIN ID=44308 ]" 7424-00-2 "(222.02974, 16926.602)(223.0282, 1465.0966)(224.02832, 1545.9135)(259.9851, 494.10498)(244.01065, 459.958)" p-Chlorophenylalanine + 0.8021111 FindByFormula + 221.0233 0.8021111 p-Chlorophenylalanine + 0.8384666 "p-Chlorophenylalanine [ C9 H10 Cl N O2, db=62.84, tgt=, overall=62.84, CAS ID=7424-00-2, METLIN ID=44308 ]" 7424-00-2 "(222.0297, 11941.365)(223.02887, 1183.3519)(224.02704, 1120.4974)(259.98367, 158.29333)(244.01091, 497.44598)" p-Chlorophenylalanine + 0.8384666 FindByFormula + 221.0223 0.8384666 PDM 11 "PDM 11 [ C16 H15 Cl O2, db=41.17, tgt=, overall=41.17, METLIN ID=64643 ]" "(297.06506, 4306.25)(298.06165, 1101.185)" PDM 11 FindByFormula + 296.0568 10.5125 PE(12:0/18:0)[U] "PE(12:0/18:0)[U] [ C35 H70 N O8 P, db=63.08, tgt=, overall=63.08, Lipid ID=LMGP02010224, METLIN ID=40621 ]" "(686.4723, 962.72)(687.4738, 449.22)" PE(12:0/18:0)[U] FindByFormula + LMGP02010224 685.4639 12.7275 PE(13:0/22:0)[U] "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=76.35, tgt=, overall=76.35, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.5502, 13250.816)(757.5533, 5532.284)(758.56445, 2775.8088)(759.5704, 938.0128)(778.54004, 1371.5101)" PE(13:0/22:0)[U] FindByFormula + LMGP02010236 755.5483 22.02391 PE(13:0/22:0)[U] + 21.1595 "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=71.28, tgt=, overall=71.28, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.55023, 2576.335)(757.5551, 1156.765)(758.56323, 695.25)" PE(13:0/22:0)[U] + 21.1595 FindByFormula + LMGP02010236 755.5471 21.1595 PE(13:0/22:0)[U] + 22.007 "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=72.42, tgt=, overall=72.42, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.54956, 12269.62)(757.55383, 4891.495)(758.5653, 2772.0552)" PE(13:0/22:0)[U] + 22.007 FindByFormula + LMGP02010236 755.5447 22.007 PE(13:0/22:0)[U] + 22.1812 "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=83.28, tgt=, overall=83.28, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.55054, 18517.787)(757.5532, 8088.246)(758.5648, 3294.4578)(759.5701, 1137.84)(778.5377, 4396.4)" PE(13:0/22:0)[U] + 22.1812 FindByFormula + LMGP02010236 755.5462 22.1812 PE(13:0/22:0)[U] + 22.3366 "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=82.97, tgt=, overall=82.97, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.5501, 11706.323)(757.5516, 5526.25)(758.56445, 2115.162)" PE(13:0/22:0)[U] + 22.3366 FindByFormula + LMGP02010236 755.5455 22.3366 PE(13:0/22:0)[U] + 24.032299 "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=87.41, tgt=, overall=87.41, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.5513, 5417.161)(757.5548, 2313.849)(758.56604, 820.94696)" PE(13:0/22:0)[U] + 24.032299 FindByFormula + LMGP02010236 755.5434 24.032299 PE(13:0/22:0)[U] + 26.9485 "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=84.07, tgt=, overall=84.07, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.5504, 8325.737)(757.5541, 4296.4526)(758.5647, 658.69)" PE(13:0/22:0)[U] + 26.9485 FindByFormula + LMGP02010236 755.5425 26.9485 PE(13:0/22:0)[U] + 26.949333 "PE(13:0/22:0)[U] [ C40 H80 N O8 P, db=71.06, tgt=, overall=71.06, Lipid ID=LMGP02010236, METLIN ID=40633 ]" "(756.5508, 4165.4814)(757.5549, 2324.5)(758.563, 1289.51)" PE(13:0/22:0)[U] + 26.949333 FindByFormula + LMGP02010236 755.5395 26.949333 PE(14:0/10:0)[U] "PE(14:0/10:0)[U] [ C29 H58 N O8 P, db=37.89, tgt=, overall=37.89, Lipid ID=LMGP02010061, METLIN ID=40460 ]" "(602.3816, 1639.0701)(603.39124, 675.475)" PE(14:0/10:0)[U] FindByFormula + LMGP02010061 601.3781 14.82 PE(14:0/23:0)[U] "PE(14:0/23:0)[U] [ C42 H84 N O8 P, db=25.36, tgt=, overall=25.36, Lipid ID=LMGP02010303, METLIN ID=40700 ]" "(1568.1465, 301.41666)(784.57996, 9552.642)(785.5881, 4310.997)(786.5983, 9407.43)(787.60657, 3997.7644)(788.6081, 4213.682)(789.61237, 1637.4767)(790.61536, 190.88501)(822.87726, 897.865)(823.8791, 313.79834)(824.8838, 553.54004)(825.5492, 438.49)(826.5661, 322.24)(806.56525, 4927.35)" PE(14:0/23:0)[U] FindByFormula + LMGP02010303 783.571 26.959143 PE(15:0/24:1(15Z)) "PE(15:0/24:1(15Z)) [ C44 H86 N O8 P, db=86.07, tgt=, overall=86.07, KEGG ID=C00350, HMP ID=HMDB08915, METLIN ID=60358 ]" "(810.5967, 15042.83)(811.6029, 6362.8623)(812.59827, 2185.275)" PE(15:0/24:1(15Z)) FindByFormula HMDB08915 + C00350 809.59 22.03175 PE(16:0/0:0) "PE(16:0/0:0) [ C21 H44 N O7 P, db=96.67, tgt=, overall=96.67, Lipid ID=LMGP02050002, METLIN ID=40776 ]" "(907.57227, 1049.25)(908.58105, 607.0344)(909.56805, 564.9633)(929.5513, 1197.6375)(454.29294, 20694.275)(455.29532, 5110.042)(456.2987, 1111.9031)(457.29172, 246.0925)(476.27396, 25506.555)(477.27832, 6341.7573)(478.27704, 1336.605)(479.27856, 118.274994)" PE(16:0/0:0) FindByFormula + LMGP02050002 453.2847 14.5306015 PE(16:0/0:0) + 14.487834 "PE(16:0/0:0) [ C21 H44 N O7 P, db=94.98, tgt=, overall=94.98, Lipid ID=LMGP02050002, METLIN ID=40776 ]" "(907.5762, 695.45557)(908.57196, 319.6443)(909.5687, 282.315)(929.54785, 195.83)(454.2936, 17122.018)(455.2966, 4395.9004)(456.29892, 943.673)(476.27435, 19116.084)(477.27768, 4679.865)(478.27582, 1064.318)(479.2913, 648.35)" PE(16:0/0:0) + 14.487834 FindByFormula + LMGP02050002 453.2852 14.487834 PE(16:0/0:0) + 14.517841 "PE(16:0/0:0) [ C21 H44 N O7 P, db=82.31, tgt=, overall=82.31, Lipid ID=LMGP02050002, METLIN ID=40776 ]" "(476.2745, 16221.593)(477.2785, 3944.2522)(498.2557, 4905.716)(499.25818, 1271.4033)" PE(16:0/0:0) + 14.517841 FindByFormula + LMGP02050002 475.2669 14.517841 PE(16:0/0:0) + 14.533393 "PE(16:0/0:0) [ C21 H44 N O7 P, db=97.97, tgt=, overall=97.97, Lipid ID=LMGP02050002, METLIN ID=40776 ]" "(907.5733, 1009.57214)(908.57904, 578.53546)(909.5799, 312.06)(454.29297, 21652.025)(455.2967, 5349.0063)(456.29865, 1195.2712)(457.3123, 268.93)(476.2745, 26848.186)(477.27878, 6692.1714)(478.2773, 1303.4482)(479.27863, 280.8)" PE(16:0/0:0) + 14.533393 FindByFormula + LMGP02050002 453.285 14.533393 "PE(16:0/22:2(13Z,16Z))" "PE(16:0/22:2(13Z,16Z)) [ C43 H82 N O8 P, db=33.95, tgt=, overall=33.95, KEGG ID=C00350, HMP ID=HMDB08942, METLIN ID=60374 ]" "(794.5661, 2046.5149)(795.5597, 1205.69)" "PE(16:0/22:2(13Z,16Z))" FindByFormula HMDB08942 + C00350 793.5597 23.257 PE(16:1(9Z)/19:0) "PE(16:1(9Z)/19:0) [ C40 H78 N O8 P, db=83.12, tgt=, overall=83.12, Lipid ID=LMGP02010527, METLIN ID=76762 ]" "(754.53577, 38236.34)(755.53894, 16992.414)(756.54584, 8431.73)(757.5434, 1245.28)" PE(16:1(9Z)/19:0) FindByFormula + LMGP02010527 753.5291 22.400501 PE(17:0/0:0) "PE(17:0/0:0) [ C22 H46 N O7 P, db=94.85, tgt=, overall=94.85, Lipid ID=LMGP02050030, METLIN ID=77696 ]" "(935.62335, 583.464)(936.6255, 279.0125)(937.645, 346.91)(957.5973, 181.4025)(958.59924, 135.58)(468.30807, 11242.391)(469.30984, 2734.9038)(470.3102, 616.1613)(471.3139, 72.43)(506.26352, 1456.4618)(507.26907, 371.28314)(508.2659, 219.31499)(490.28992, 17465.322)(491.29138, 4427.219)(492.29507, 1043.0712)" PE(17:0/0:0) FindByFormula + LMGP02050030 467.3005 12.824423 PE(17:0/0:0) + 12.629201 "PE(17:0/0:0) [ C22 H46 N O7 P, db=80.40, tgt=, overall=80.40, Lipid ID=LMGP02050030, METLIN ID=77696 ]" "(468.30695, 5645.9062)(469.30988, 1566.432)(470.31314, 215.12003)(506.26578, 705.8667)(490.28912, 8575.252)(491.29312, 2593.906)(492.3, 1041.998)" PE(17:0/0:0) + 12.629201 FindByFormula + LMGP02050030 467.2996 12.629201 PE(17:0/0:0) + 12.802294 "PE(17:0/0:0) [ C22 H46 N O7 P, db=73.62, tgt=, overall=73.62, Lipid ID=LMGP02050030, METLIN ID=77696 ]" "(490.2893, 17815.066)(491.29037, 4493.668)" PE(17:0/0:0) + 12.802294 FindByFormula + LMGP02050030 489.2813 12.802294 PE(17:0/0:0) + 12.83165 "PE(17:0/0:0) [ C22 H46 N O7 P, db=78.96, tgt=, overall=78.96, Lipid ID=LMGP02050030, METLIN ID=77696 ]" "(490.28998, 20870.033)(491.2917, 5304.7104)" PE(17:0/0:0) + 12.83165 FindByFormula + LMGP02050030 489.2823 12.83165 PE(17:0/0:0) + 12.833922 "PE(17:0/0:0) [ C22 H46 N O7 P, db=92.73, tgt=, overall=92.73, Lipid ID=LMGP02050030, METLIN ID=77696 ]" "(935.618, 1128.468)(936.6306, 570.1975)(937.62427, 407.9833)(957.5886, 112.32166)(468.3079, 13316.816)(469.30957, 3334.776)(470.3098, 736.3378)(471.31046, 221.75667)(506.26343, 1550.1295)(507.26517, 463.77176)(508.26294, 274.30624)(490.29004, 20372.582)(491.29083, 5172.6304)(492.2945, 1167.4714)(493.29916, 414.23166)" PE(17:0/0:0) + 12.833922 FindByFormula + LMGP02050030 467.2993 12.833922 PE(17:0/0:0) + 15.627001 "PE(17:0/0:0) [ C22 H46 N O7 P, db=58.96, tgt=, overall=58.96, Lipid ID=LMGP02050030, METLIN ID=77696 ]" "(490.2909, 1296.135)(491.2926, 599.695)(512.2703, 425.14)" PE(17:0/0:0) + 15.627001 FindByFormula + LMGP02050030 489.2846 15.627001 "PE(17:0/20:2(11Z,14Z))" "PE(17:0/20:2(11Z,14Z)) [ C42 H80 N O8 P, db=61.19, tgt=, overall=61.19, Lipid ID=LMGP02010553, METLIN ID=76788 ]" "(780.5486, 1252.3)(781.55334, 568.92505)" "PE(17:0/20:2(11Z,14Z))" FindByFormula + LMGP02010553 779.5416 27.331501 "PE(17:0/22:2(13Z,16Z))" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=62.96, tgt=, overall=62.96, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(786.59906, 1018.69)(787.60095, 319.905)(788.603, 266.75)(824.5456, 1178.03)(825.5527, 936.29)(808.5798, 2774.8)(809.58496, 1226.5933)(810.5943, 1214.1733)(811.6039, 50.49)" "PE(17:0/22:2(13Z,16Z))" FindByFormula + LMGP02010559 785.5935 26.513334 "PE(17:0/22:2(13Z,16Z)) + 22.018" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=58.16, tgt=, overall=58.16, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(808.5808, 13723.747)(809.58655, 6368.618)(810.596, 7766.146)(811.598, 4065.9624)" "PE(17:0/22:2(13Z,16Z)) + 22.018" FindByFormula + LMGP02010559 807.5756 22.018 "PE(17:0/22:2(13Z,16Z)) + 22.020802" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=90.21, tgt=, overall=90.21, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(786.5925, 1008.41003)(787.59656, 458.185)(824.5444, 4295.1304)(825.5463, 2096.88)(826.55927, 1150.1567)(808.5815, 24815.63)(809.5834, 13773.84)(810.5888, 4495.4)" "PE(17:0/22:2(13Z,16Z)) + 22.020802" FindByFormula + LMGP02010559 785.5895 22.020802 "PE(17:0/22:2(13Z,16Z)) + 22.032001" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=91.18, tgt=, overall=91.18, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(786.59753, 2820.395)(787.6006, 1160.705)(788.59406, 628.45)(808.58026, 27360.32)(809.5833, 13726.2)(810.58923, 4857.88)(811.5967, 1151.165)" "PE(17:0/22:2(13Z,16Z)) + 22.032001" FindByFormula + LMGP02010559 785.5907 22.032001 "PE(17:0/22:2(13Z,16Z)) + 22.23425" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=63.17, tgt=, overall=63.17, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(808.5808, 18856.848)(809.58673, 8679.537)(810.5939, 6784.305)(811.6006, 2792.8198)(812.6047, 976.15)(832.5762, 4707.9)(833.58734, 1772.96)(834.5796, 2418.46)" "PE(17:0/22:2(13Z,16Z)) + 22.23425" FindByFormula + LMGP02010559 807.5789 22.23425 "PE(17:0/22:2(13Z,16Z)) + 22.314" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=57.11, tgt=, overall=57.11, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(808.5809, 18860.941)(809.5881, 8591.5205)(810.5953, 7151.397)(811.6024, 3321.2124)" "PE(17:0/22:2(13Z,16Z)) + 22.314" FindByFormula + LMGP02010559 807.5738 22.314 "PE(17:0/22:2(13Z,16Z)) + 24.043" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=74.86, tgt=, overall=74.86, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(808.58124, 11596.668)(809.5877, 5376.3203)(810.59546, 2707.383)" "PE(17:0/22:2(13Z,16Z)) + 24.043" FindByFormula + LMGP02010559 807.5757 24.043 "PE(17:0/22:2(13Z,16Z)) + 27.0265" "PE(17:0/22:2(13Z,16Z)) [ C44 H84 N O8 P, db=60.77, tgt=, overall=60.77, Lipid ID=LMGP02010559, METLIN ID=76794 ]" "(808.58057, 5667.935)(809.5866, 2259.675)(810.5963, 2205.565)" "PE(17:0/22:2(13Z,16Z)) + 27.0265" FindByFormula + LMGP02010559 807.57 27.0265 PE(17:1(9Z)/20:0) "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=89.67, tgt=, overall=89.67, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.565, 23879.305)(783.56976, 10518.731)(784.5757, 3664.471)(785.5829, 1294.525)(820.52576, 973.735)(821.5328, 582.2733)(807.90906, 15652.402)(806.22534, 16352.267)(807.23566, 22936.344)(807.56903, 14970.3)(808.57776, 4806.52)" PE(17:1(9Z)/20:0) FindByFormula + LMGP02010579 781.5594 22.264402 PE(17:1(9Z)/20:0) + 19.606333 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=88.59, tgt=, overall=88.59, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(1516.1193, 92.08)(758.5666, 957.9567)(759.57104, 463.05664)(782.56616, 9959.207)(783.5691, 4748.9634)(784.57587, 1724.5433)(785.58167, 902.96497)" PE(17:1(9Z)/20:0) + 19.606333 FindByFormula + LMGP02010579 757.559 19.606333 PE(17:1(9Z)/20:0) + 20.8585 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=72.89, tgt=, overall=72.89, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(1516.1333, 641.14)(758.5664, 27643.346)(759.57196, 12707.971)(782.5647, 39589.848)(783.5685, 19294.275)(784.5775, 11091.3)(785.5857, 3428.0352)" PE(17:1(9Z)/20:0) + 20.8585 FindByFormula + LMGP02010579 757.5587 20.8585 PE(17:1(9Z)/20:0) + 22.006445 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=92.33, tgt=, overall=92.33, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.56573, 45829.32)(783.5696, 20373.074)(784.57715, 6761.8887)(785.5841, 2047.0343)(820.52435, 833.11145)(821.5275, 490.76)(822.5343, 3662.85)(807.9094, 14355.004)(806.5613, 4819.5947)(807.5735, 13086.76)(807.5681, 632.55)(808.5916, 869.86)" PE(17:1(9Z)/20:0) + 22.006445 FindByFormula + LMGP02010579 781.5609 22.006445 PE(17:1(9Z)/20:0) + 22.008303 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=90.25, tgt=, overall=90.25, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.56506, 37470.63)(783.5695, 17015.645)(784.5762, 5828.3594)(785.5823, 2095.6853)(820.5242, 866.8487)(821.5316, 630.98004)(822.5289, 382.55)(808.0551, 13690.917)(806.56165, 5523.375)(807.57214, 10496.288)(807.56836, 2942.97)(808.5845, 1509.77)" PE(17:1(9Z)/20:0) + 22.008303 FindByFormula + LMGP02010579 781.5595 22.008303 PE(17:1(9Z)/20:0) + 22.475334 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=93.78, tgt=, overall=93.78, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.5659, 34760.45)(783.56976, 15325.8)(784.57416, 5352.9766)(785.58264, 1839.605)(820.529, 875.03)(821.5239, 301.05)(822.5278, 389.81)(807.9089, 16240.69)(807.5693, 106.82)(808.582, 621.19)" PE(17:1(9Z)/20:0) + 22.475334 FindByFormula + LMGP02010579 781.56 22.475334 PE(17:1(9Z)/20:0) + 24.017418 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=89.94, tgt=, overall=89.94, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.5649, 21277.893)(783.57153, 9705.565)(784.5776, 2689.3508)(785.5874, 562.24426)(808.41486, 8418.921)(807.5722, 2004.51)(808.5809, 311.64)" PE(17:1(9Z)/20:0) + 24.017418 FindByFormula + LMGP02010579 781.5597 24.017418 PE(17:1(9Z)/20:0) + 26.563248 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=90.16, tgt=, overall=90.16, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.56586, 10310.81)(783.571, 4873.5522)(784.5769, 1802.3973)(785.5867, 516.08997)(820.52515, 796.08)(804.55164, 3313.8164)(805.55597, 1829.1033)(806.5648, 2519.0093)" PE(17:1(9Z)/20:0) + 26.563248 FindByFormula + LMGP02010579 781.5594 26.563248 PE(17:1(9Z)/20:0) + 26.5765 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=89.03, tgt=, overall=89.03, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.5665, 8518.94)(783.5714, 3764.555)(784.57654, 1531.5549)(820.5291, 742.1)(804.5511, 2965.69)(805.55664, 1365.905)(806.5643, 1604.39)" PE(17:1(9Z)/20:0) + 26.5765 FindByFormula + LMGP02010579 781.5584 26.5765 PE(17:1(9Z)/20:0) + 26.948668 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=95.05, tgt=, overall=95.05, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(1520.1509, 614.59674)(1521.1578, 478.20203)(1522.1511, 354.26)(1542.4402, 616.9475)(1543.4064, 547.42316)(1544.1404, 532.9)(760.58344, 26532.324)(761.5878, 12006.702)(762.59064, 3899.3174)(763.59033, 1038.5599)(798.541, 2380.2466)(799.54974, 1072.5791)(800.5499, 626.9045)(782.5659, 18285.424)(783.5699, 8431.443)(784.578, 7392.105)(785.58527, 3014.3586)" PE(17:1(9Z)/20:0) + 26.948668 FindByFormula + LMGP02010579 759.5771 26.948668 PE(17:1(9Z)/20:0) + 27.342999 "PE(17:1(9Z)/20:0) [ C42 H82 N O8 P, db=78.46, tgt=, overall=78.46, Lipid ID=LMGP02010579, METLIN ID=76814 ]" "(782.56506, 3016.085)(783.5691, 1829.555)(784.5793, 612.45496)(820.53, 649.57)(804.5482, 423.84497)(805.5583, 181.36)(806.5648, 731.29)" PE(17:1(9Z)/20:0) + 27.342999 FindByFormula + LMGP02010579 781.5578 27.342999 "PE(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))" "PE(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) [ C42 H72 N O8 P, db=62.67, tgt=, overall=62.67, Lipid ID=LMGP02010584, METLIN ID=76819 ]" "(772.4862, 1271.01)(773.4914, 547.3775)" "PE(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))" FindByFormula + LMGP02010584 771.4791 15.05275 "PE(17:1(9Z)/22:2(13Z,16Z))" "PE(17:1(9Z)/22:2(13Z,16Z)) [ C44 H82 N O8 P, db=63.02, tgt=, overall=63.02, Lipid ID=LMGP02010588, METLIN ID=76823 ]" "(806.56396, 6706.655)(807.5691, 3309.575)(808.5784, 3368.39)(809.5812, 1984.9)(828.55096, 4466.5)(829.5586, 2525.6602)" "PE(17:1(9Z)/22:2(13Z,16Z))" FindByFormula + LMGP02010588 805.5549 22.004 "PE(17:1(9Z)/22:2(13Z,16Z)) + 21.173" "PE(17:1(9Z)/22:2(13Z,16Z)) [ C44 H82 N O8 P, db=77.83, tgt=, overall=77.83, Lipid ID=LMGP02010588, METLIN ID=76823 ]" "(806.5646, 1048.5549)(807.5714, 483.355)(808.5821, 210.33)(828.5529, 160.25)" "PE(17:1(9Z)/22:2(13Z,16Z)) + 21.173" FindByFormula + LMGP02010588 805.556 21.173 "PE(17:1(9Z)/22:2(13Z,16Z)) + 22.414" "PE(17:1(9Z)/22:2(13Z,16Z)) [ C44 H82 N O8 P, db=63.69, tgt=, overall=63.69, Lipid ID=LMGP02010588, METLIN ID=76823 ]" "(806.5637, 12165.589)(807.5692, 6045.5503)(808.5746, 5960.12)(809.5766, 1901.44)(828.5495, 3111.29)(829.5634, 1161.51)" "PE(17:1(9Z)/22:2(13Z,16Z)) + 22.414" FindByFormula + LMGP02010588 805.5566 22.414 "PE(17:1(9Z)/22:2(13Z,16Z)) + 26.516" "PE(17:1(9Z)/22:2(13Z,16Z)) [ C44 H82 N O8 P, db=54.41, tgt=, overall=54.41, Lipid ID=LMGP02010588, METLIN ID=76823 ]" "(806.56396, 1813.2367)(807.56934, 1117.6433)" "PE(17:1(9Z)/22:2(13Z,16Z)) + 26.516" FindByFormula + LMGP02010588 805.5561 26.516 "PE(17:1(9Z)/22:2(13Z,16Z)) + 26.73" "PE(17:1(9Z)/22:2(13Z,16Z)) [ C44 H82 N O8 P, db=53.21, tgt=, overall=53.21, Lipid ID=LMGP02010588, METLIN ID=76823 ]" "(806.5653, 3559.7456)(807.5708, 1783.484)(808.58124, 4056.9365)" "PE(17:1(9Z)/22:2(13Z,16Z)) + 26.73" FindByFormula + LMGP02010588 805.5583 26.73 "PE(17:1(9Z)/22:2(13Z,16Z)) + 26.951645" "PE(17:1(9Z)/22:2(13Z,16Z)) [ C44 H82 N O8 P, db=54.63, tgt=, overall=54.63, Lipid ID=LMGP02010588, METLIN ID=76823 ]" "(806.56525, 4092.522)(807.5715, 2160.695)(808.58167, 3085.745)" "PE(17:1(9Z)/22:2(13Z,16Z)) + 26.951645" FindByFormula + LMGP02010588 805.5561 26.951645 PE(18:0/0:0) "PE(18:0/0:0) [ C23 H48 N O7 P, db=95.27, tgt=, overall=95.27, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(504.30548, 28540.46)(505.30865, 8553.531)(506.30872, 1744.9135)(507.30737, 318.24)" PE(18:0/0:0) FindByFormula + LMGP02050001 503.2994 13.747705 PE(18:0/0:0) - 16.8112 "PE(18:0/0:0) [ C23 H48 N O7 P, db=93.27, tgt=, overall=93.27, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(961.6137, 458.75)(480.30795, 25875.756)(481.3109, 6885.787)(482.31247, 1330.863)" PE(18:0/0:0) - 16.8112 FindByFormula - LMGP02050001 481.3157 16.8112 PE(18:0/0:0) + 13.695499 "PE(18:0/0:0) [ C23 H48 N O7 P, db=88.65, tgt=, overall=88.65, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(482.32367, 7623.3125)(483.32596, 2229.73)(484.3272, 264.41)(520.27264, 1196.19)(504.3057, 13432.104)(505.30908, 4682.1333)(506.30893, 967.7033)(507.328, 97.73)" PE(18:0/0:0) + 13.695499 FindByFormula + LMGP02050001 481.314 13.695499 PE(18:0/0:0) + 13.732002 "PE(18:0/0:0) [ C23 H48 N O7 P, db=77.84, tgt=, overall=77.84, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(482.32413, 7099.027)(483.3245, 1744.5093)(484.3239, 187.73)(520.27527, 1317.8964)(504.3057, 17116.81)(505.30762, 7046.7886)(506.31247, 1526.2509)" PE(18:0/0:0) + 13.732002 FindByFormula + LMGP02050001 481.3154 13.732002 PE(18:0/0:0) + 13.768 "PE(18:0/0:0) [ C23 H48 N O7 P, db=94.99, tgt=, overall=94.99, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(963.6362, 244.51201)(482.32407, 9070.945)(483.32446, 2500.007)(484.32294, 487.4831)(520.2753, 1713.42)(521.2752, 620.0851)(522.26746, 917.06635)(504.30594, 25454.361)(505.30838, 7715.8965)(506.30923, 1612.5715)(507.30966, 421.444)" PE(18:0/0:0) + 13.768 FindByFormula + LMGP02050001 481.3179 13.768 PE(18:0/0:0) + 16.801628 "PE(18:0/0:0) [ C23 H48 N O7 P, db=95.93, tgt=, overall=95.93, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(963.63104, 835.7829)(964.6452, 709.17334)(965.6125, 439.21)(1001.59454, 131.82666)(1002.5732, 179.1)(985.6066, 202.47)(986.5873, 88.035)(987.56995, 38.225)(482.32437, 27179.555)(483.32718, 7264.096)(484.3283, 1453.8286)(485.3262, 274.85)(504.3055, 34712.895)(505.3109, 9772.446)(506.3114, 1961.8329)" PE(18:0/0:0) + 16.801628 FindByFormula + LMGP02050001 481.3163 16.801628 PE(18:0/0:0) + 16.80275 "PE(18:0/0:0) [ C23 H48 N O7 P, db=97.49, tgt=, overall=97.49, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(963.64276, 163.33)(1001.59033, 334.55)(1002.5907, 381.51)(1003.5648, 217.99)(985.61774, 292.93002)(986.6345, 200.98001)(987.6014, 182.5)(988.5928, 80.26)(482.3244, 23504.191)(483.3272, 6139.9233)(484.32852, 1289.821)(485.32385, 183.905)(504.30597, 28570.941)(505.31094, 7381.9116)(506.31152, 1621.7131)" PE(18:0/0:0) + 16.80275 FindByFormula + LMGP02050001 481.3167 16.80275 PE(18:0/0:0) + 16.80527 "PE(18:0/0:0) [ C23 H48 N O7 P, db=96.81, tgt=, overall=96.81, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(963.6317, 1511.7299)(964.63904, 927.92755)(965.64026, 823.06995)(1001.5933, 6292.81)(1002.5942, 3511.0134)(1003.601, 1754.105)(1004.5984, 1314.82)(985.609, 1143.2439)(986.6107, 3772.61)(987.6093, 1999.09)(988.6049, 481.85)(482.3246, 27911.924)(483.3271, 7475.068)(484.32834, 1483.5646)(485.32874, 1318.85)(504.30624, 35040.01)(505.31134, 9315.844)(506.3117, 1912.5775)" PE(18:0/0:0) + 16.80527 FindByFormula + LMGP02050001 481.3172 16.80527 PE(18:0/0:0) + 16.8225 "PE(18:0/0:0) [ C23 H48 N O7 P, db=60.61, tgt=, overall=60.61, Lipid ID=LMGP02050001, METLIN ID=40775 ]" "(504.3053, 13643.725)(505.31134, 5490.87)(526.29004, 3926.2925)(527.29016, 1345.42)" PE(18:0/0:0) + 16.8225 FindByFormula + LMGP02050001 503.2994 16.8225 "PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C45 H72 N O8 P, db=83.20, tgt=, overall=83.20, KEGG ID=C00350, HMP ID=HMDB09144, METLIN ID=60551 ]" "(808.49146, 21592.916)(809.48975, 10122.202)(810.48846, 3312.0476)(811.4916, 760.265)(846.43945, 1595.6201)(830.4717, 20857.217)(831.46686, 8372.853)(832.4669, 4679.085)(833.4613, 821.69995)" "PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula HMDB09144 + C00350 807.4984 7.304 "PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 25.674" "PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C45 H72 N O8 P, db=62.46, tgt=, overall=62.46, KEGG ID=C00350, HMP ID=HMDB09144, METLIN ID=60551 ]" "(784.49255, 1110.13)(785.49475, 641.545)" "PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 25.674" FindByFormula HMDB09144 - C00350 785.5004 25.674 "PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))" "PE(18:3(9Z,12Z,15Z)/P-18:1(9Z)) [ C41 H74 N O7 P, db=71.20, tgt=, overall=71.20, KEGG ID=C00350, HMP ID=HMDB09183, METLIN ID=60589 ]" "(746.50757, 5585.615)(747.5104, 3100.2148)(748.52094, 1611.425)" "PE(18:3(9Z,12Z,15Z)/P-18:1(9Z))" FindByFormula HMDB09183 + C00350 745.4997 21.990002 "PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))" "PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) [ C43 H74 N O8 P, db=68.39, tgt=, overall=68.39, KEGG ID=C00350, HMP ID=HMDB09198, METLIN ID=60604 ]" "(786.50366, 4060.4556)(787.51215, 1079.7931)(788.5132, 169.46)" "PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z))" FindByFormula HMDB09198 + C00350 785.4939 17.693539 "PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) + 7.3030996" "PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) [ C43 H74 N O8 P, db=97.02, tgt=, overall=97.02, KEGG ID=C00350, HMP ID=HMDB09198, METLIN ID=60604 ]" "(393.7593, 3824.6477)(394.25864, 1931.2737)(394.76013, 580.49506)(786.5055, 16366.244)(787.5083, 7790.0054)(788.50836, 2107.5698)(789.5127, 328.82666)(808.48773, 10618.785)(809.4878, 5224.574)(810.4803, 1306.2833)(811.4794, 391.71)" "PE(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)) + 7.3030996" FindByFormula HMDB09198 + C00350 785.502 7.3030996 "PE(18:4(6Z,9Z,12Z,15Z)/P-16:0)" "PE(18:4(6Z,9Z,12Z,15Z)/P-16:0) [ C39 H70 N O7 P, db=91.37, tgt=, overall=91.37, KEGG ID=C00350, HMP ID=HMDB09213, METLIN ID=60619 ]" "(370.73364, 2941.485)(371.23407, 1410.475)(371.73907, 272.44)(740.44507, 1205.465)(741.45544, 786.365)(742.4483, 331.105)" "PE(18:4(6Z,9Z,12Z,15Z)/P-16:0)" FindByFormula HMDB09213 + C00350 739.4483 1.4195 PE(19:0/0:0) "PE(19:0/0:0) [ C24 H50 N O7 P, db=99.66, tgt=, overall=99.66, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(991.6668, 25215.643)(992.6699, 15553.15)(993.6718, 5187.968)(994.669, 1882.3887)(995.6571, 537.12)(1013.98663, 38298.113)(1014.9893, 21254.625)(1015.6608, 8689.759)(1016.65985, 2503.6526)(1017.6293, 598.78)(496.34003, 201992.84)(497.343, 54674.637)(498.3454, 10333.881)(499.34363, 676.3958)(534.2955, 35699.87)(535.30005, 10095.407)(536.2977, 3293.445)(537.2971, 1758.57)(518.32153, 595702.4)(519.3251, 156938.4)(520.32825, 32129.764)(521.3303, 4865.6343)" PE(19:0/0:0) FindByFormula + LMGP02050028 495.3335 14.740515 PE(19:0/0:0) + 14.3835 "PE(19:0/0:0) [ C24 H50 N O7 P, db=94.67, tgt=, overall=94.67, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(518.3202, 71336.5)(519.3242, 19855.904)(520.331, 3505.09)" PE(19:0/0:0) + 14.3835 FindByFormula + LMGP02050028 517.3101 14.3835 PE(19:0/0:0) + 14.595215 "PE(19:0/0:0) [ C24 H50 N O7 P, db=96.86, tgt=, overall=96.86, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(991.6632, 11024.338)(992.66766, 6008.947)(993.6713, 2107.7258)(1029.6227, 2229.89)(1030.6279, 983.7)(1014.32574, 114460.49)(1014.6551, 93490.59)(1015.6572, 31804.637)(1016.6553, 8057.67)(1017.6481, 1268.83)(496.3395, 103748.87)(497.3426, 28636.496)(498.3452, 7964.363)(499.34424, 1238.594)(534.29535, 22678.36)(535.2978, 10282.431)(536.2983, 5494.7363)(537.2994, 3153.53)(518.3212, 370464.56)(519.32465, 99846.305)(520.3293, 28170.19)(521.3283, 4683.3003)" PE(19:0/0:0) + 14.595215 FindByFormula + LMGP02050028 495.3331 14.595215 PE(19:0/0:0) + 14.760667 "PE(19:0/0:0) [ C24 H50 N O7 P, db=99.50, tgt=, overall=99.50, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(991.6662, 16930.271)(992.6683, 9162.188)(993.67065, 3027.6965)(994.6655, 942.02295)(995.6791, 328.07)(1029.6295, 1631.3027)(1030.6294, 885.13)(1031.6362, 642.565)(1032.6233, 274.07)(1013.6487, 53820.473)(1014.6513, 29063.816)(1015.6566, 10474.161)(1016.6618, 4410.975)(1017.6741, 1509.84)(496.33997, 166462.61)(497.3428, 46639.016)(498.34497, 9484.6)(499.34546, 1361.8542)(500.33905, 123.145004)(534.2957, 36892.168)(535.30035, 10676.84)(536.2973, 5130.7695)(537.2973, 1214.5249)(518.3214, 631102.2)(519.32495, 163697.48)(520.3285, 29116.67)(521.3316, 3876.9329)(522.3293, 765.92145)" PE(19:0/0:0) + 14.760667 FindByFormula + LMGP02050028 495.3313 14.760667 PE(19:0/0:0) + 14.772273 "PE(19:0/0:0) [ C24 H50 N O7 P, db=99.57, tgt=, overall=99.57, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(991.6663, 34030.71)(992.6702, 19105.352)(993.6713, 6332.5103)(994.679, 4394.5073)(1029.6287, 75193.61)(1030.6302, 42242.99)(1031.633, 15689.99)(1032.6355, 4733.64)(1013.7344, 273354.03)(1014.7359, 147542.52)(1015.7446, 49515.113)(1016.6594, 16501.021)(1017.66003, 1372.5449)(496.34006, 226367.97)(497.34293, 61657.79)(498.3454, 12480.803)(499.34354, 3040.9583)(534.29584, 40929.645)(535.3003, 11821.866)(536.2972, 6245.0938)(537.2995, 6319.36)(518.32153, 666116.2)(519.32513, 175100.89)(520.3282, 32529.39)(521.3302, 4196.0425)(522.3279, 4787.83)" PE(19:0/0:0) + 14.772273 FindByFormula + LMGP02050028 495.3328 14.772273 PE(19:0/0:0) + 14.781817 "PE(19:0/0:0) [ C24 H50 N O7 P, db=99.40, tgt=, overall=99.40, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(259.6564, 2659.84)(260.1549, 1235.82)(260.6563, 350.95)(518.32135, 648883.3)(519.325, 169404.8)(520.32837, 28102.803)(521.3249, 426.52)" PE(19:0/0:0) + 14.781817 FindByFormula + LMGP02050028 517.313 14.781817 PE(19:0/0:0) + 14.807633 "PE(19:0/0:0) [ C24 H50 N O7 P, db=99.00, tgt=, overall=99.00, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(259.65848, 1186.5392)(260.1572, 422.17184)(260.65878, 127.71334)(518.3211, 693004.2)(519.3249, 179413.1)(520.32764, 32003.15)(521.3301, 4324.5337)(522.331, 912.6257)" PE(19:0/0:0) + 14.807633 FindByFormula + LMGP02050028 517.3109 14.807633 PE(19:0/0:0) + 14.828428 "PE(19:0/0:0) [ C24 H50 N O7 P, db=98.79, tgt=, overall=98.79, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(991.6673, 27760.44)(992.6707, 15439.66)(993.6731, 4954.546)(994.6729, 1763.4187)(995.6794, 1086.25)(1029.6232, 2120.94)(1030.6245, 1331.9081)(1031.6306, 855.63745)(1032.625, 354.21)(1013.65015, 83588.61)(1014.6516, 45213.15)(1015.6553, 17188.822)(1016.6596, 5826.9263)(496.3398, 141162.53)(497.34268, 40558.855)(498.34512, 8725.02)(499.34607, 1357.6588)(500.3441, 101.87)(534.29504, 29977.283)(535.2997, 9161.79)(536.2963, 4054.7478)(537.2978, 1769.9241)(518.32117, 475503.47)(519.3248, 120480.8)(520.3273, 23031.934)(521.329, 3841.399)(522.3291, 927.2151)" PE(19:0/0:0) + 14.828428 FindByFormula + LMGP02050028 495.3309 14.828428 PE(19:0/0:0) + 29.265501 "PE(19:0/0:0) [ C24 H50 N O7 P, db=88.09, tgt=, overall=88.09, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(496.3407, 5713.5977)(497.3437, 1713.5251)(498.34366, 644.72)(518.3214, 1177.3534)(519.3267, 703.16)" PE(19:0/0:0) + 29.265501 FindByFormula + LMGP02050028 495.3351 29.265501 PE(19:0/0:0) + 29.375751 "PE(19:0/0:0) [ C24 H50 N O7 P, db=79.34, tgt=, overall=79.34, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(496.33865, 4841.17)(497.34247, 1254.9874)(518.3218, 1066.8925)" PE(19:0/0:0) + 29.375751 FindByFormula + LMGP02050028 495.3317 29.375751 PE(19:0/0:0) + 29.475334 "PE(19:0/0:0) [ C24 H50 N O7 P, db=71.17, tgt=, overall=71.17, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(518.32025, 1006.6867)(519.32355, 330.75333)" PE(19:0/0:0) + 29.475334 FindByFormula + LMGP02050028 517.3139 29.475334 PE(19:0/0:0) + 29.641937 "PE(19:0/0:0) [ C24 H50 N O7 P, db=94.82, tgt=, overall=94.82, Lipid ID=LMGP02050028, METLIN ID=77694 ]" "(496.34, 3030.97)(497.34262, 828.8944)(498.34293, 247.28334)(518.3215, 1046.4999)(519.32465, 557.714)" PE(19:0/0:0) + 29.641937 FindByFormula + LMGP02050028 495.3331 29.641937 "PE(19:0/20:4(5Z,8Z,11Z,14Z))" "PE(19:0/20:4(5Z,8Z,11Z,14Z)) [ C44 H80 N O8 P, db=58.93, tgt=, overall=58.93, Lipid ID=LMGP02010785, METLIN ID=77020 ]" "(804.5486, 30344.76)(805.55286, 15248.14)(806.56335, 22298.451)(807.5676, 10514.59)(808.5764, 6231.045)(809.5718, 1439.8)(810.5816, 743.35)" "PE(19:0/20:4(5Z,8Z,11Z,14Z))" FindByFormula + LMGP02010785 803.5422 22.0105 "PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H80 N O8 P, db=11.13, tgt=, overall=11.13, Lipid ID=LMGP02010792, METLIN ID=77027 ]" "(828.54987, 1439.63)(829.5594, 604.855)(830.568, 2374.1)(831.5686, 1363.34)(832.5769, 2487.17)(833.5848, 1018.89)(834.5928, 538.9)" "PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP02010792 827.5437 22.201 "PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 27.501" "PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H80 N O8 P, db=57.18, tgt=, overall=57.18, Lipid ID=LMGP02010792, METLIN ID=77027 ]" "(806.5669, 640.20496)(807.56793, 358.99)(808.5899, 392.78)" "PE(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 27.501" FindByFormula + LMGP02010792 805.5636 27.501 PE(19:1(9Z)/0:0) "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=96.73, tgt=, overall=96.73, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(516.30615, 23822.904)(517.31055, 6524.783)(518.31604, 1355.0807)" PE(19:1(9Z)/0:0) FindByFormula + LMGP02050019 515.2981 13.436625 PE(19:1(9Z)/0:0) + 13.337603 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=96.51, tgt=, overall=96.51, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(987.633, 463.79)(988.63934, 255.02333)(494.3239, 8311.261)(495.3234, 2284.6807)(496.333, 543.58606)(532.2805, 1207.4589)(533.2806, 331.28003)(534.283, 284.33)(516.3064, 15623.258)(517.31024, 4174.1304)(518.3163, 873.9909)(519.32965, 249.78)" PE(19:1(9Z)/0:0) + 13.337603 FindByFormula + LMGP02050019 493.317 13.337603 PE(19:1(9Z)/0:0) + 13.354847 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=97.94, tgt=, overall=97.94, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(516.3061, 20171.125)(517.3103, 5493.1143)(518.3157, 981.7437)" PE(19:1(9Z)/0:0) + 13.354847 FindByFormula + LMGP02050019 515.2998 13.354847 PE(19:1(9Z)/0:0) + 13.3850355 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=95.17, tgt=, overall=95.17, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(987.62866, 203.34668)(988.6399, 23.01)(494.3237, 9216.004)(495.32455, 2593.092)(496.32977, 740.4509)(497.3291, 168.35)(532.2796, 1666.2369)(533.2815, 213.69202)(534.28076, 255.84001)(516.3063, 18183.459)(517.3098, 4912.119)(518.3159, 1056.3837)(519.3238, 646.16)" PE(19:1(9Z)/0:0) + 13.3850355 FindByFormula + LMGP02050019 493.3175 13.3850355 PE(19:1(9Z)/0:0) + 13.404715 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=17.32, tgt=, overall=17.32, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(494.32404, 7123.6475)(494.81796, 534.834)(495.3247, 1927.138)(495.8357, 387.66)(516.3051, 1607.155)(516.81415, 498.23502)" PE(19:1(9Z)/0:0) + 13.404715 FindByFormula + LMGP02050019 986.6359 13.404715 PE(19:1(9Z)/0:0) + 13.43685 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=96.31, tgt=, overall=96.31, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(516.3061, 20255.21)(517.3104, 5397.6562)(518.3165, 1190.2068)" PE(19:1(9Z)/0:0) + 13.43685 FindByFormula + LMGP02050019 515.2983 13.43685 PE(19:1(9Z)/0:0) + 13.449333 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=14.92, tgt=, overall=14.92, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(516.30524, 2443.1135)(516.8133, 289.83334)(517.3106, 686.01666)(517.80774, 86.524994)" PE(19:1(9Z)/0:0) + 13.449333 FindByFormula + LMGP02050019 1030.596 13.449333 PE(19:1(9Z)/0:0) + 13.46725 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=97.70, tgt=, overall=97.70, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(516.3055, 20973.986)(517.3095, 5820.719)(518.3144, 1320.9142)" PE(19:1(9Z)/0:0) + 13.46725 FindByFormula + LMGP02050019 515.2971 13.46725 PE(19:1(9Z)/0:0) + 13.473616 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=98.47, tgt=, overall=98.47, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(987.63995, 1024.5566)(988.6406, 817.055)(494.32373, 17332.725)(495.32605, 4586.3574)(496.33115, 927.8814)(497.33145, 230.54668)(532.28217, 3553.2217)(533.2874, 924.632)(534.27844, 514.79)(516.30597, 36032.773)(517.31006, 9750.761)(518.31464, 2034.4164)(519.3106, 466.78)" PE(19:1(9Z)/0:0) + 13.473616 FindByFormula + LMGP02050019 493.3167 13.473616 PE(19:1(9Z)/0:0) + 13.643001 "PE(19:1(9Z)/0:0) [ C24 H48 N O7 P, db=0.00, tgt=, overall=0.00, Lipid ID=LMGP02050019, METLIN ID=77685 ]" "(494.32202, 2525.73)(494.81598, 545.195)(516.3037, 652.92)(516.8167, 177.96)" PE(19:1(9Z)/0:0) + 13.643001 FindByFormula + LMGP02050019 986.6294 13.643001 "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z))" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C44 H78 N O8 P, db=64.73, tgt=, overall=64.73, Lipid ID=LMGP02010816, METLIN ID=77051 ]" "(780.5502, 25405.793)(781.5543, 12052.486)(782.5641, 11017.836)(783.56964, 4146.5195)(784.5777, 2207.3186)(785.5846, 531.2675)(786.59753, 655.44)(804.55023, 14128.005)" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z))" FindByFormula + LMGP02010816 779.5437 22.024202 "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.577917" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C44 H78 N O8 P, db=47.15, tgt=, overall=47.15, Lipid ID=LMGP02010816, METLIN ID=77051 ]" "(780.55054, 10509.181)(781.5559, 4947.048)(782.56647, 12747.745)(783.5721, 7333.3228)(784.5788, 3305.1633)" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.577917" FindByFormula + LMGP02010816 779.5452 26.577917 "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.850252" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C44 H78 N O8 P, db=36.26, tgt=, overall=36.26, Lipid ID=LMGP02010816, METLIN ID=77051 ]" "(780.55023, 10883.286)(781.55634, 5329.7524)(782.56647, 16571.182)(783.5713, 8314.9375)(784.5783, 6100.9434)(785.5834, 4883.59)" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.850252" FindByFormula + LMGP02010816 779.5408 26.850252 "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.964252" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C44 H78 N O8 P, db=30.32, tgt=, overall=30.32, Lipid ID=LMGP02010816, METLIN ID=77051 ]" "(780.55164, 3803.7224)(781.55493, 2347.71)(782.56665, 10701.311)(783.5709, 5134.9053)(784.5801, 8205.88)" "PE(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.964252" FindByFormula + LMGP02010816 779.5433 26.964252 "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H78 N O8 P, db=61.06, tgt=, overall=61.06, Lipid ID=LMGP02010823, METLIN ID=77058 ]" "(804.55, 15308.703)(805.5538, 7666.2153)(806.5639, 10914.872)(807.5692, 6271.41)(808.5791, 6114.805)(809.5759, 923.57)(810.5816, 743.35)" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP02010823 803.5425 22.043665 "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 22.320831" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H78 N O8 P, db=49.59, tgt=, overall=49.59, Lipid ID=LMGP02010823, METLIN ID=77058 ]" "(804.5507, 15923.927)(805.5545, 8153.8516)(806.56445, 10565.939)(807.5711, 7815.537)(808.58154, 11498.374)(809.5837, 625.87)(810.5705, 560.07)" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 22.320831" FindByFormula + LMGP02010823 803.543 22.320831 "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 26.553555" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H78 N O8 P, db=63.25, tgt=, overall=63.25, Lipid ID=LMGP02010823, METLIN ID=77058 ]" "(804.5512, 4980.272)(805.5561, 2597.6865)(806.5641, 3984.6775)(807.56946, 2705.8462)" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 26.553555" FindByFormula + LMGP02010823 803.5421 26.553555 "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 26.863832" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H78 N O8 P, db=64.39, tgt=, overall=64.39, Lipid ID=LMGP02010823, METLIN ID=77058 ]" "(804.55, 5178.0)(805.5547, 2216.3616)(806.5629, 2759.9417)(807.5674, 1999.7767)" "PE(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 26.863832" FindByFormula + LMGP02010823 803.5427 26.863832 "PE(20:1(11Z)/17:2(9Z,12Z))" "PE(20:1(11Z)/17:2(9Z,12Z)) [ C42 H78 N O8 P, db=64.47, tgt=, overall=64.47, Lipid ID=LMGP02010851, METLIN ID=77086 ]" "(756.55145, 3108.2493)(757.55524, 1397.2992)(758.56647, 1136.0133)" "PE(20:1(11Z)/17:2(9Z,12Z))" FindByFormula + LMGP02010851 755.5437 26.584417 "PE(20:1(11Z)/17:2(9Z,12Z)) + 21.249666" "PE(20:1(11Z)/17:2(9Z,12Z)) [ C42 H78 N O8 P, db=71.58, tgt=, overall=71.58, Lipid ID=LMGP02010851, METLIN ID=77086 ]" "(756.5512, 2005.9967)(757.555, 957.19336)(758.56494, 558.0967)(759.5734, 56.58)(778.5471, 362.24)" "PE(20:1(11Z)/17:2(9Z,12Z)) + 21.249666" FindByFormula + LMGP02010851 755.5496 21.249666 "PE(20:1(11Z)/17:2(9Z,12Z)) + 26.565666" "PE(20:1(11Z)/17:2(9Z,12Z)) [ C42 H78 N O8 P, db=72.78, tgt=, overall=72.78, Lipid ID=LMGP02010851, METLIN ID=77086 ]" "(756.55176, 4988.9854)(757.55566, 2132.3733)(758.5661, 1213.0582)(759.57214, 340.55)" "PE(20:1(11Z)/17:2(9Z,12Z)) + 26.565666" FindByFormula + LMGP02010851 755.5404 26.565666 "PE(20:1(11Z)/17:2(9Z,12Z)) + 27.324501" "PE(20:1(11Z)/17:2(9Z,12Z)) [ C42 H78 N O8 P, db=66.28, tgt=, overall=66.28, Lipid ID=LMGP02010851, METLIN ID=77086 ]" "(756.5508, 848.525)(757.55554, 463.12)(758.5651, 280.2)" "PE(20:1(11Z)/17:2(9Z,12Z)) + 27.324501" FindByFormula + LMGP02010851 755.5424 27.324501 "PE(20:4(5Z,8Z,11Z,14Z)/21:0)" "PE(20:4(5Z,8Z,11Z,14Z)/21:0) [ C46 H84 N O8 P, db=68.35, tgt=, overall=68.35, Lipid ID=LMGP02010956, METLIN ID=77191 ]" "(832.5788, 10480.037)(833.5861, 5575.953)(834.5887, 3160.157)(856.5686, 2376.32)(857.5739, 1069.92)(858.5825, 1251.84)" "PE(20:4(5Z,8Z,11Z,14Z)/21:0)" FindByFormula + LMGP02010956 831.5791 22.013334 "PE(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))" "PE(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) [ C47 H76 N O8 P, db=54.79, tgt=, overall=54.79, KEGG ID=C00350, HMP ID=HMDB09407, METLIN ID=60803 ]" "(812.5216, 787.615)(813.5232, 453.245)" "PE(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))" FindByFormula HMDB09407 - C00350 813.5271 26.906 "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0)" "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) [ C46 H82 N O8 P, db=55.82, tgt=, overall=55.82, Lipid ID=LMGP02010986, METLIN ID=77221 ]" "(808.5816, 6072.0034)(809.5907, 2447.9788)(810.5975, 2854.536)" "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0)" FindByFormula + LMGP02010986 807.5729 26.621778 "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) + 26.575302" "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) [ C46 H82 N O8 P, db=55.92, tgt=, overall=55.92, Lipid ID=LMGP02010986, METLIN ID=77221 ]" "(808.5818, 6672.1494)(809.59106, 2971.887)(810.59705, 3421.1)" "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) + 26.575302" FindByFormula + LMGP02010986 807.5772 26.575302 "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) + 27.004667" "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) [ C46 H82 N O8 P, db=54.36, tgt=, overall=54.36, Lipid ID=LMGP02010986, METLIN ID=77221 ]" "(808.5815, 5420.473)(809.59033, 2600.5867)(810.59955, 3036.49)" "PE(20:5(5Z,8Z,11Z,14Z,17Z)/21:0) + 27.004667" FindByFormula + LMGP02010986 807.5765 27.004667 "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))" "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) [ C45 H78 N O7 P, db=66.31, tgt=, overall=66.31, KEGG ID=C00350, HMP ID=HMDB09677, METLIN ID=61066 ]" "(798.54126, 4146.236)(799.55194, 1722.8589)(800.55206, 796.745)(820.52734, 1226.4)(821.5402, 485.7933)" "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))" FindByFormula HMDB09677 + C00350 797.5367 26.719667 "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) + 26.9994" "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) [ C45 H78 N O7 P, db=67.18, tgt=, overall=67.18, KEGG ID=C00350, HMP ID=HMDB09677, METLIN ID=61066 ]" "(399.7736, 1382.54)(400.2756, 555.78)(400.7757, 375.54)(798.54016, 2927.4521)(799.54486, 1404.861)(800.55676, 848.96)" "PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z)) + 26.9994" FindByFormula HMDB09677 + C00350 797.5341 26.9994 PE(O-16:0/0:0) "PE(O-16:0/0:0) [ C21 H46 N O6 P, db=93.52, tgt=, overall=93.52, Lipid ID=LMGP02060002, METLIN ID=46716 ]" "(462.29434, 12985.927)(463.29752, 3387.2168)(464.2978, 773.348)(484.27692, 4906.55)(485.27347, 2361.44)(486.2752, 379.47)" PE(O-16:0/0:0) FindByFormula + LMGP02060002 461.2838 14.995833 PE(O-18:0/0:0) "PE(O-18:0/0:0) [ C23 H50 N O6 P, db=83.68, tgt=, overall=83.68, Lipid ID=LMGP02060003, METLIN ID=46717 ]" "(490.32602, 3824.0)(491.32736, 994.16656)(492.3255, 287.66)(512.3116, 1807.5)" PE(O-18:0/0:0) FindByFormula + LMGP02060003 489.3191 17.464167 PE(O-18:0/0:0) + 14.276334 "PE(O-18:0/0:0) [ C23 H50 N O6 P, db=53.61, tgt=, overall=53.61, Lipid ID=LMGP02060003, METLIN ID=46717 ]" "(468.3457, 2059.9434)(469.34656, 637.07666)(490.32507, 2274.8699)(491.32608, 852.3034)" PE(O-18:0/0:0) + 14.276334 FindByFormula + LMGP02060003 467.3356 14.276334 PE(O-18:0/0:0) + 17.491665 "PE(O-18:0/0:0) [ C23 H50 N O6 P, db=56.52, tgt=, overall=56.52, Lipid ID=LMGP02060003, METLIN ID=46717 ]" "(468.34247, 3038.0227)(469.34412, 1008.6228)(506.2953, 721.60876)(490.3251, 4070.843)(491.32617, 1455.3044)" PE(O-18:0/0:0) + 17.491665 FindByFormula + LMGP02060003 467.3365 17.491665 PE(O-18:1(9Z)/0:0) "PE(O-18:1(9Z)/0:0) [ C23 H48 N O6 P, db=79.98, tgt=, overall=79.98, Lipid ID=LMGP02060004, METLIN ID=46718 ]" "(488.30917, 28767.85)(489.31238, 7817.9478)(490.32162, 2959.4536)(526.2777, 2156.77)(510.28973, 24400.998)(511.2927, 10924.3545)" PE(O-18:1(9Z)/0:0) FindByFormula + LMGP02060004 487.3036 17.610062 PE(O-18:1(9Z)/0:0) - 17.60706 "PE(O-18:1(9Z)/0:0) [ C23 H48 N O6 P, db=81.15, tgt=, overall=81.15, Lipid ID=LMGP02060004, METLIN ID=46718 ]" "(464.3124, 13925.586)(465.31335, 3607.1216)(466.3211, 850.8882)" PE(O-18:1(9Z)/0:0) - 17.60706 FindByFormula - LMGP02060004 465.3212 17.60706 PE(O-18:1(9Z)/0:0) + 17.62275 "PE(O-18:1(9Z)/0:0) [ C23 H48 N O6 P, db=83.77, tgt=, overall=83.77, Lipid ID=LMGP02060004, METLIN ID=46718 ]" "(488.31, 18301.795)(489.3133, 4918.4897)(490.32245, 1888.5874)(526.26874, 322.085)(510.2867, 2520.09)" PE(O-18:1(9Z)/0:0) + 17.62275 FindByFormula + LMGP02060004 487.3046 17.62275 PE(O-20:0/15:1(9Z)) "PE(O-20:0/15:1(9Z)) [ C40 H80 N O7 P, db=67.78, tgt=, overall=67.78, Lipid ID=LMGP02020066, METLIN ID=77545 ]" "(718.5747, 2207.25)(719.5762, 1251.585)(720.579, 1220.25)" PE(O-20:0/15:1(9Z)) FindByFormula + LMGP02020066 717.57 26.998001 PE(O-20:0/15:1(9Z)) + 22.402 "PE(O-20:0/15:1(9Z)) [ C40 H80 N O7 P, db=58.66, tgt=, overall=58.66, Lipid ID=LMGP02020066, METLIN ID=77545 ]" "(740.555, 5329.8)(741.55383, 2586.895)(742.56287, 2683.72)" PE(O-20:0/15:1(9Z)) + 22.402 FindByFormula + LMGP02020066 739.5501 22.402 PE(P-16:0/0:0) "PE(P-16:0/0:0) [ C21 H44 N O6 P, db=97.64, tgt=, overall=97.64, Lipid ID=LMGP02070001, METLIN ID=46719 ]" "(875.5853, 929.02405)(876.5857, 549.95776)(877.5838, 357.97498)(438.29758, 37971.67)(439.30087, 9378.798)(440.30783, 1866.0298)(441.2976, 454.35)(476.2474, 7680.282)(477.24835, 1914.738)(460.2785, 31302.816)(461.28253, 7779.2246)(462.29147, 1855.4314)(463.29697, 1031.0061)" PE(P-16:0/0:0) FindByFormula + LMGP02070001 437.2896 15.186274 PE(P-16:0/0:0) - 15.181643 "PE(P-16:0/0:0) [ C21 H44 N O6 P, db=87.28, tgt=, overall=87.28, Lipid ID=LMGP02070001, METLIN ID=46719 ]" "(436.2812, 46602.957)(437.2842, 11225.956)(438.29187, 2724.5952)" PE(P-16:0/0:0) - 15.181643 FindByFormula - LMGP02070001 437.2888 15.181643 PE(P-16:0/0:0) - 15.24125 "PE(P-16:0/0:0) [ C21 H44 N O6 P, db=89.43, tgt=, overall=89.43, Lipid ID=LMGP02070001, METLIN ID=46719 ]" "(436.2813, 8525.857)(437.2843, 2051.7776)(438.29163, 418.50333)" PE(P-16:0/0:0) - 15.24125 FindByFormula - LMGP02070001 437.2886 15.24125 PE(P-16:0/0:0) + 15.183964 "PE(P-16:0/0:0) [ C21 H44 N O6 P, db=98.28, tgt=, overall=98.28, Lipid ID=LMGP02070001, METLIN ID=46719 ]" "(875.5817, 471.12802)(876.583, 273.495)(877.58344, 108.72001)(438.29767, 37511.723)(439.3009, 9281.06)(440.30753, 1764.972)(441.29758, 253.07332)(476.25073, 1511.6699)(477.25903, 566.71)(460.27875, 31071.875)(461.28253, 7709.391)(462.29153, 1735.9435)(463.29782, 256.92667)" PE(P-16:0/0:0) + 15.183964 FindByFormula + LMGP02070001 437.2901 15.183964 PE(P-16:0/0:0) + 15.198411 "PE(P-16:0/0:0) [ C21 H44 N O6 P, db=82.07, tgt=, overall=82.07, Lipid ID=LMGP02070001, METLIN ID=46719 ]" "(941.52924, 4560.2627)(942.53485, 3201.1938)(943.53406, 1644.49)(460.27927, 34234.637)(461.2828, 8535.263)(482.2619, 11327.569)(483.26447, 2873.8098)(484.27155, 600.87354)" PE(P-16:0/0:0) + 15.198411 FindByFormula + LMGP02070001 459.2727 15.198411 PE(P-18:1(11Z)/15:0) "PE(P-18:1(11Z)/15:0) [ C38 H74 N O7 P, db=56.07, tgt=, overall=56.07, HMP ID=HMDB11403, METLIN ID=62202 ]" "(710.5112, 14437.605)(711.5017, 1339.84)(712.50507, 707.42004)" PE(P-18:1(11Z)/15:0) FindByFormula HMDB11403 + 709.5027 7.2045 PE(P-20:0/0:0) "PE(P-20:0/0:0) [ C25 H52 N O6 P, db=75.09, tgt=, overall=75.09, Lipid ID=LMGP02070004, METLIN ID=77701 ]" "(516.34204, 8904.57)(517.34845, 2616.785)" PE(P-20:0/0:0) FindByFormula + LMGP02070004 515.3358 20.536999 PE-Cer(d14:1(4E)/23:0) "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=68.44, tgt=, overall=68.44, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.55444, 8340.579)(726.5567, 3773.3616)(727.5654, 1857.7802)(728.56287, 1115.51)" PE-Cer(d14:1(4E)/23:0) FindByFormula + LMSP03020010 724.5483 13.669666 PE-Cer(d14:1(4E)/23:0) + 20.1805 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=82.20, tgt=, overall=82.20, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(703.5714, 18253.375)(704.57465, 10762.846)(705.5795, 2672.1274)(706.58167, 458.365)(741.53076, 3352.04)(742.53955, 1708.49)(743.54614, 766.60004)(744.5442, 229.9)(725.5539, 25787.943)(726.55664, 14207.237)(727.5623, 3546.5)(728.56244, 1277.6001)(729.5714, 575.47)" PE-Cer(d14:1(4E)/23:0) + 20.1805 FindByFormula + LMSP03020010 702.5656 20.1805 PE-Cer(d14:1(4E)/23:0) + 20.664398 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=76.95, tgt=, overall=76.95, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(703.57245, 33388.086)(704.5758, 15693.636)(705.5831, 4892.632)(706.5867, 2618.855)(707.5916, 780.12)(741.5299, 17454.77)(742.533, 8027.15)(743.5532, 3291.5)(744.558, 893.98)(725.5545, 39792.95)(726.5576, 19039.691)(727.5648, 5574.414)(728.5681, 5535.05)(729.5746, 1675.42)" PE-Cer(d14:1(4E)/23:0) + 20.664398 FindByFormula + LMSP03020010 702.5649 20.664398 PE-Cer(d14:1(4E)/23:0) + 20.846003 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=91.65, tgt=, overall=91.65, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.55597, 17477.621)(726.5589, 8218.818)(727.56506, 2877.3215)(728.5655, 1003.2866)(729.57, 287.51)" PE-Cer(d14:1(4E)/23:0) + 20.846003 FindByFormula + LMSP03020010 724.5487 20.846003 PE-Cer(d14:1(4E)/23:0) + 21.982834 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=86.11, tgt=, overall=86.11, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(703.56934, 5420.74)(704.57306, 2446.305)(705.5781, 868.39404)(706.5809, 592.57)(741.5344, 2208.35)(742.5394, 1017.83)(743.5481, 776.46)(744.5709, 63.75)(725.5545, 18825.729)(726.5577, 7766.1284)(727.56256, 2862.4333)(728.5596, 802.67395)(729.5729, 218.82)" PE-Cer(d14:1(4E)/23:0) + 21.982834 FindByFormula + LMSP03020010 702.5647 21.982834 PE-Cer(d14:1(4E)/23:0) + 22.0212 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=85.55, tgt=, overall=85.55, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.55554, 52555.555)(726.5586, 23664.996)(727.5644, 9912.421)(728.5632, 3158.8728)(729.5706, 1789.6934)" PE-Cer(d14:1(4E)/23:0) + 22.0212 FindByFormula + LMSP03020010 724.5473 22.0212 PE-Cer(d14:1(4E)/23:0) + 22.404333 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=87.79, tgt=, overall=87.79, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.5561, 18804.557)(726.55927, 7891.0366)(727.56494, 3196.827)(728.5568, 1084.82)" PE-Cer(d14:1(4E)/23:0) + 22.404333 FindByFormula + LMSP03020010 724.5479 22.404333 PE-Cer(d14:1(4E)/23:0) + 26.564001 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=70.73, tgt=, overall=70.73, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(703.5713, 4436.433)(704.57355, 2158.46)(705.57965, 1105.3566)(706.5836, 436.2)(741.5376, 2848.82)(742.54376, 1141.0133)(743.5412, 721.45996)(725.55585, 23847.006)(726.55853, 10667.98)(727.56744, 6832.86)(728.56976, 2304.8867)" PE-Cer(d14:1(4E)/23:0) + 26.564001 FindByFormula + LMSP03020010 702.5667 26.564001 PE-Cer(d14:1(4E)/23:0) + 26.5956 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=82.64, tgt=, overall=82.64, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.5556, 46571.05)(726.5585, 21924.586)(727.5658, 8959.593)(728.56635, 3333.8918)(729.5733, 2878.64)" PE-Cer(d14:1(4E)/23:0) + 26.5956 FindByFormula + LMSP03020010 724.5486 26.5956 PE-Cer(d14:1(4E)/23:0) + 26.607918 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=76.96, tgt=, overall=76.96, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.55585, 39839.11)(726.55865, 18792.412)(727.5661, 7680.3296)(728.56903, 5829.633)" PE-Cer(d14:1(4E)/23:0) + 26.607918 FindByFormula + LMSP03020010 724.5489 26.607918 PE-Cer(d14:1(4E)/23:0) + 26.9082 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=86.95, tgt=, overall=86.95, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.5553, 41908.656)(726.5584, 19352.857)(727.5653, 7968.729)(728.5676, 1346.165)(729.5744, 128.4)" PE-Cer(d14:1(4E)/23:0) + 26.9082 FindByFormula + LMSP03020010 724.5496 26.9082 PE-Cer(d14:1(4E)/23:0) + 26.944666 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=88.14, tgt=, overall=88.14, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.5556, 28911.807)(726.55865, 13413.938)(727.5647, 5242.2827)(728.56366, 1524.1211)(729.56604, 813.38)" PE-Cer(d14:1(4E)/23:0) + 26.944666 FindByFormula + LMSP03020010 724.5491 26.944666 PE-Cer(d14:1(4E)/23:0) + 26.945 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=83.16, tgt=, overall=83.16, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(703.5732, 44245.66)(704.57623, 20002.936)(705.58295, 8712.99)(706.585, 2791.1357)(707.5871, 1034.0967)(741.53644, 3892.0417)(742.545, 2151.6716)(743.55176, 1158.8583)(725.55536, 32041.016)(726.5586, 14197.596)(727.5648, 5537.5225)(728.564, 1884.7716)" PE-Cer(d14:1(4E)/23:0) + 26.945 FindByFormula + LMSP03020010 702.5671 26.945 PE-Cer(d14:1(4E)/23:0) + 26.945078 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=88.84, tgt=, overall=88.84, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(725.55554, 27212.184)(726.5586, 12647.701)(727.5646, 4928.5884)(728.5639, 1385.9601)" PE-Cer(d14:1(4E)/23:0) + 26.945078 FindByFormula + LMSP03020010 724.5488 26.945078 PE-Cer(d14:1(4E)/23:0) + 26.952085 "PE-Cer(d14:1(4E)/23:0) [ C39 H79 N2 O6 P, db=86.13, tgt=, overall=86.13, Lipid ID=LMSP03020010, METLIN ID=103049 ]" "(703.57294, 45915.31)(704.57587, 20907.594)(705.5825, 8403.986)(706.5854, 2868.2998)(707.59, 1377.97)(741.5364, 7936.423)(742.54596, 3739.705)(743.5485, 2319.3535)(725.55554, 79267.21)(726.5586, 37227.07)(727.5663, 15026.162)(728.56604, 4282.2217)" PE-Cer(d14:1(4E)/23:0) + 26.952085 FindByFormula + LMSP03020010 702.5668 26.952085 "PE-Cer(d14:2(4E,6E)/18:0(2OH))" "PE-Cer(d14:2(4E,6E)/18:0(2OH)) [ C34 H67 N2 O7 P, db=65.19, tgt=, overall=65.19, Lipid ID=LMSP03020067, METLIN ID=103106 ]" "(647.4784, 1385.0951)(648.48083, 1020.79504)(649.4837, 534.8)(685.4417, 1058.575)(686.4424, 1146.2)" "PE-Cer(d14:2(4E,6E)/18:0(2OH))" FindByFormula + LMSP03020067 646.4739 24.589 "PE-Cer(d14:2(4E,6E)/23:0)" "PE-Cer(d14:2(4E,6E)/23:0) [ C39 H77 N2 O6 P, db=66.44, tgt=, overall=66.44, Lipid ID=LMSP03020041, METLIN ID=103080 ]" "(723.54083, 8008.2134)(724.5461, 3817.5732)" "PE-Cer(d14:2(4E,6E)/23:0)" FindByFormula + LMSP03020041 722.5334 26.888666 Peimine "Peimine [ C27 H45 N O3, db=41.73, tgt=, overall=41.73, CAS ID=23496-41-5, KEGG ID=C10830, METLIN ID=68613 ]" 23496-41-5 "(454.3288, 4610.4287)(455.32974, 1231.8479)(456.32648, 1544.9529)(457.32623, 238.70714)(476.31363, 460.75424)" Peimine FindByFormula + C10830 453.3225 13.3005295 Peimine + 13.300573 "Peimine [ C27 H45 N O3, db=50.03, tgt=, overall=50.03, CAS ID=23496-41-5, KEGG ID=C10830, METLIN ID=68613 ]" 23496-41-5 "(454.3291, 4678.1655)(455.3311, 1350.6193)(456.32684, 1744.11)" Peimine + 13.300573 FindByFormula + C10830 453.3238 13.300573 Penaresidin B "Penaresidin B [ C19 H39 N O3, db=99.77, tgt=, overall=99.77, Lipid ID=LMSP01080046, METLIN ID=53946 ]" "(330.3003, 22953.01)(331.30334, 4972.92)(332.3064, 529.54)(352.2806, 1352.14)" Penaresidin B FindByFormula + LMSP01080046 329.2928 9.6925 Penaresidin B + 10.159 "Penaresidin B [ C19 H39 N O3, db=81.61, tgt=, overall=81.61, Lipid ID=LMSP01080046, METLIN ID=53946 ]" "(330.3001, 5619.2246)(331.304, 1414.515)" Penaresidin B + 10.159 FindByFormula + LMSP01080046 329.2919 10.159 Pendimethalin "Pendimethalin [ C13 H19 N3 O4, db=48.21, tgt=, overall=48.21, CAS ID=40487-42-1, KEGG ID=C11019, METLIN ID=68776 ]" 40487-42-1 "(282.14407, 5616.3633)(283.1435, 1661.5267)" Pendimethalin FindByFormula + C11019 281.1379 1.1586667 Penicilloate "Penicilloate [ C20 H25 N5 O7 S, db=56.20, tgt=, overall=56.20, CAS ID=, METLIN ID=1225 ]" "(502.1371, 2940.9285)(503.1439, 914.5284)(524.12134, 1593.0801)" Penicilloate FindByFormula + 501.1346 7.2501664 Penicilloate + 7.2652497 "Penicilloate [ C20 H25 N5 O7 S, db=95.83, tgt=, overall=95.83, CAS ID=, METLIN ID=1225 ]" "(959.289, 1116.27)(960.2888, 779.82)(961.2675, 126.57)(981.28156, 889.33673)(982.2934, 479.03)(983.2884, 688.35)(480.15518, 10797.406)(481.15863, 2948.0774)(482.15576, 1112.4915)(483.1601, 275.985)(518.1075, 2261.915)(519.10516, 593.184)(520.09875, 332.675)(502.13776, 14703.683)(503.14026, 3820.695)(504.13562, 1295.6012)(505.13812, 502.445)" Penicilloate + 7.2652497 FindByFormula + 479.146 7.2652497 Penicilloic acid V "Penicilloic acid V [ C16 H20 N2 O6 S, db=88.47, tgt=, overall=88.47, CAS ID=1049-84-9, METLIN ID=1740 ]" 1049-84-9 "(737.215, 226.56084)(738.22894, 128.525)(739.2161, 165.73)(775.17303, 432.44418)(759.1985, 3139.9998)(760.19794, 1475.1107)(761.1963, 658.15814)(369.11288, 11336.825)(370.11548, 2394.9377)(371.11658, 459.28458)(372.111, 155.6575)(407.06766, 695.33417)(391.09473, 9920.951)(392.09726, 2345.1565)(393.09766, 480.40884)" Penicilloic acid V FindByFormula + 368.1071 1.9450358 PE-NMe(O-16:0/O-16:0)[U] "PE-NMe(O-16:0/O-16:0)[U] [ C38 H80 N O6 P, db=36.43, tgt=, overall=36.43, Lipid ID=LMGP02040011, METLIN ID=40771 ]" "(678.5816, 429.32)(679.59106, 234.16501)" PE-NMe(O-16:0/O-16:0)[U] FindByFormula + LMGP02040011 677.5749 7.0474997 Pentadecanoyl-EA "Pentadecanoyl-EA [ C17 H35 N O2, db=84.02, tgt=, overall=84.02, Lipid ID=LMFA08040045, METLIN ID=46566 ]" "(286.27426, 4908.4385)(287.27667, 1044.1014)" Pentadecanoyl-EA FindByFormula + LMFA08040045 285.2667 11.842857 Pentadecanoyl-EA + 11.845799 "Pentadecanoyl-EA [ C17 H35 N O2, db=92.08, tgt=, overall=92.08, Lipid ID=LMFA08040045, METLIN ID=46566 ]" "(286.27444, 4050.821)(287.2763, 833.639)(288.2755, 190.82)" Pentadecanoyl-EA + 11.845799 FindByFormula + LMFA08040045 285.2654 11.845799 Pentadecanoyl-EA + 9.7765 "Pentadecanoyl-EA [ C17 H35 N O2, db=96.90, tgt=, overall=96.90, Lipid ID=LMFA08040045, METLIN ID=46566 ]" "(286.2738, 28448.305)(287.278, 6010.0254)(288.28384, 904.97)" Pentadecanoyl-EA + 9.7765 FindByFormula + LMFA08040045 285.267 9.7765 Pentazocine cis-alcohol "Pentazocine cis-alcohol [ C19 H27 N O2, db=87.69, tgt=, overall=87.69, CAS ID=22259-21-8, METLIN ID=1753 ]" 22259-21-8 "(300.19556, 3810.9001)(301.1984, 621.6133)(302.2027, 31.02)" Pentazocine cis-alcohol FindByFormula - 301.204 7.219667 Perflubron "Perflubron [ C8 Br F17, db=57.07, tgt=, overall=57.07, CAS ID=, METLIN ID=43303 ]" "(498.9009, 4939.5034)(499.9049, 500.76663)(500.90372, 201.97333)" Perflubron FindByFormula + 497.8929 26.836502 Pergolide "Pergolide [ C19 H26 N2 S, db=72.05, tgt=, overall=72.05, CAS ID=66104-22-1, KEGG ID=C07425, METLIN ID=1787 ]" 66104-22-1 "(315.19006, 1795.8833)(316.1925, 420.24)" Pergolide FindByFormula + C07425 314.1827 21.095333 Perindoprilat "Perindoprilat [ C17 H28 N2 O5, mfg=77.42, db=77.34, tgt=, overall=77.38, CAS ID=95153-31-4, METLIN ID=1798 ]" 95153-31-4 "(341.20718, 2783.825)(342.21295, 605.165)" Perindoprilat FindByFormula + 340.1997 15.342999 Perindoprilat + 15.412 "Perindoprilat [ C17 H28 N2 O5, db=73.83, tgt=, overall=73.83, CAS ID=95153-31-4, METLIN ID=1798 ]" 95153-31-4 "(319.22214, 1465.85)(320.2244, 319.72)(341.20544, 2171.3333)(342.214, 450.37)" Perindoprilat + 15.412 FindByFormula + 318.2165 15.412 Perindoprilat + 8.153 "Perindoprilat [ C17 H28 N2 O5, db=70.78, tgt=, overall=70.78, CAS ID=95153-31-4, METLIN ID=1798 ]" 95153-31-4 "(363.19073, 9697.51)(364.1953, 2159.11)(385.17465, 5424.97)(386.17462, 1247.78)(387.1827, 484.06)" Perindoprilat + 8.153 FindByFormula + 362.1837 8.153 Perindoprilat glucuronide "Perindoprilat glucuronide [ C23 H36 N2 O11, db=69.89, tgt=, overall=69.89, CAS ID=120381-56-8, METLIN ID=1797 ]" 120381-56-8 "(515.2231, 1607.8066)(516.2326, 441.97998)" Perindoprilat glucuronide FindByFormula - 516.2302 8.637 Perindoprilat lactam A "Perindoprilat lactam A [ C17 H26 N2 O4, db=76.79, tgt=, overall=76.79, CAS ID=129970-99-6, METLIN ID=1800 ]" 129970-99-6 "(345.18008, 11297.707)(346.18027, 2714.9568)(347.1831, 1061.88)" Perindoprilat lactam A FindByFormula + 344.1695 8.815333 Perphenazine "Perphenazine [ C21 H26 Cl N3 O S, db=49.38, tgt=, overall=49.38, CAS ID=58-39-9, KEGG ID=C07427, METLIN ID=1802 ]" 58-39-9 "(426.13846, 15616.996)(427.13663, 6876.8047)" Perphenazine FindByFormula + C07427 425.1317 12.4063635 Perphenazine + 11.303668 "Perphenazine [ C21 H26 Cl N3 O S, db=49.17, tgt=, overall=49.17, CAS ID=58-39-9, KEGG ID=C07427, METLIN ID=1802 ]" 58-39-9 "(426.1395, 19751.072)(427.13498, 8944.507)" Perphenazine + 11.303668 FindByFormula + C07427 425.1317 11.303668 Pfaffoside A + 12.822834 "Pfaffoside A [ C40 H60 O13, mfg=67.88, db=67.83, tgt=, overall=67.85, CAS ID=90745-17-8, KEGG ID=C08966, METLIN ID=67311 ]" 90745-17-8 "(749.4075, 2407.3818)(750.4101, 1071.4563)(751.40955, 526.01)" Pfaffoside A + 12.822834 FindByFormula + C08966 748.3992 12.822834 PG(13:0/14:0) "PG(13:0/14:0) [ C33 H65 O10 P, db=76.23, tgt=, overall=76.23, Lipid ID=LMGP04010069, METLIN ID=78894 ]" "(675.4236, 25257.941)(676.42694, 11306.065)(677.4342, 3199.9265)(678.4398, 907.58887)" PG(13:0/14:0) FindByFormula + LMGP04010069 674.417 24.379036 PG(13:0/14:0) + 24.379917 "PG(13:0/14:0) [ C33 H65 O10 P, db=80.67, tgt=, overall=80.67, Lipid ID=LMGP04010069, METLIN ID=78894 ]" "(653.43823, 1992.877)(654.44104, 946.1957)(655.4409, 450.0882)(691.39404, 11854.315)(692.39746, 5253.189)(693.4053, 2128.8108)(694.4025, 703.60004)(675.42346, 25310.945)(676.4266, 11326.699)(677.4328, 3003.6611)(678.43835, 750.02576)" PG(13:0/14:0) + 24.379917 FindByFormula + LMGP04010069 652.4321 24.379917 PG(13:0/14:0) + 24.38014 "PG(13:0/14:0) [ C33 H65 O10 P, db=80.68, tgt=, overall=80.68, Lipid ID=LMGP04010069, METLIN ID=78894 ]" "(675.42346, 25563.943)(676.4268, 11443.2295)(677.43274, 2914.7957)(678.4362, 968.55664)" PG(13:0/14:0) + 24.38014 FindByFormula + LMGP04010069 674.4159 24.38014 PG(13:0/14:0) + 24.381357 "PG(13:0/14:0) [ C33 H65 O10 P, db=81.24, tgt=, overall=81.24, Lipid ID=LMGP04010069, METLIN ID=78894 ]" "(675.42346, 27316.19)(676.4268, 12266.854)(677.432, 2727.149)(678.44147, 825.0871)" PG(13:0/14:0) + 24.381357 FindByFormula + LMGP04010069 674.4166 24.381357 PG(14:0/0:0) "PG(14:0/0:0) [ C20 H41 O9 P, db=81.90, tgt=, overall=81.90, Lipid ID=LMGP04050012, METLIN ID=80000 ]" "(455.24295, 21581.852)(456.2457, 5957.535)(457.2452, 2473.7966)" PG(14:0/0:0) FindByFormula - LMGP04050012 456.2532 14.584499 PG(14:0/14:1(9Z)) "PG(14:0/14:1(9Z)) [ C34 H65 O10 P, db=61.46, tgt=, overall=61.46, Lipid ID=LMGP04010094, METLIN ID=78919 ]" "(665.4415, 1608.7001)(666.44446, 677.705)" PG(14:0/14:1(9Z)) FindByFormula + LMGP04010094 664.4362 15.03575 "PG(15:1(9Z)/18:4(6Z,9Z,12Z,15Z))" "PG(15:1(9Z)/18:4(6Z,9Z,12Z,15Z)) [ C39 H67 O10 P, db=82.57, tgt=, overall=82.57, Lipid ID=LMGP04010177, METLIN ID=79002 ]" "(727.45795, 6912.733)(728.46234, 2870.0657)(729.4615, 867.1103)" "PG(15:1(9Z)/18:4(6Z,9Z,12Z,15Z))" FindByFormula + LMGP04010177 726.4513 15.104839 PG(18:0/18:0)[U] "PG(18:0/18:0)[U] [ C42 H83 O10 P, db=48.20, tgt=, overall=48.20, Lipid ID=LMGP04010014, METLIN ID=40845 ]" "(801.5612, 3540.5103)(802.5603, 2312.375)(803.5572, 1224.525)" PG(18:0/18:0)[U] FindByFormula + LMGP04010014 800.5477 25.452 PG(18:1(9E)/0:0)[U] "PG(18:1(9E)/0:0)[U] [ C24 H47 O9 P, db=93.58, tgt=, overall=93.58, Lipid ID=LMGP04050003, METLIN ID=40875 ]" "(509.2871, 11498.355)(510.2905, 3069.93)(511.2951, 936.33)" PG(18:1(9E)/0:0)[U] FindByFormula - LMGP04050003 510.2947 26.851 "PG(18:4(6Z,9Z,12Z,15Z)/20:0)" "PG(18:4(6Z,9Z,12Z,15Z)/20:0) [ C44 H79 O10 P, db=66.05, tgt=, overall=66.05, Lipid ID=LMGP04010444, METLIN ID=79269 ]" "(799.54877, 2194.272)(800.5529, 1026.142)" "PG(18:4(6Z,9Z,12Z,15Z)/20:0)" FindByFormula + LMGP04010444 798.5438 26.823599 PG(19:1(9Z)/0:0) "PG(19:1(9Z)/0:0) [ C25 H49 O9 P, db=77.28, tgt=, overall=77.28, Lipid ID=LMGP04050022, METLIN ID=80010 ]" "(523.3065, 5112.6196)(524.30786, 1697.415)(525.30786, 641.81995)(526.307, 325.87)" PG(19:1(9Z)/0:0) FindByFormula - LMGP04050022 524.3125 13.615 PG(19:1(9Z)/0:0) - 12.247499 "PG(19:1(9Z)/0:0) [ C25 H49 O9 P, db=84.73, tgt=, overall=84.73, Lipid ID=LMGP04050022, METLIN ID=80010 ]" "(523.30505, 3091.01)(524.3082, 972.27)(525.3021, 330.91)" PG(19:1(9Z)/0:0) - 12.247499 FindByFormula - LMGP04050022 524.3123 12.247499 PG(19:1(9Z)/0:0) - 12.247499 :1 "PG(19:1(9Z)/0:0) [ C25 H49 O9 P, db=74.04, tgt=, overall=74.04, Lipid ID=LMGP04050022, METLIN ID=80010 ]" "(523.3051, 4328.96)(524.30835, 1409.1699)" PG(19:1(9Z)/0:0) - 12.247499 :1 FindByFormula - LMGP04050022 524.3128 12.247499 PG(19:1(9Z)/0:0) - 13.300667 "PG(19:1(9Z)/0:0) [ C25 H49 O9 P, db=70.98, tgt=, overall=70.98, Lipid ID=LMGP04050022, METLIN ID=80010 ]" "(523.30585, 4113.697)(524.3087, 1334.6366)" PG(19:1(9Z)/0:0) - 13.300667 FindByFormula - LMGP04050022 524.3132 13.300667 PG(19:1(9Z)/0:0) - 13.3502 "PG(19:1(9Z)/0:0) [ C25 H49 O9 P, db=88.83, tgt=, overall=88.83, Lipid ID=LMGP04050022, METLIN ID=80010 ]" "(523.3057, 7867.736)(524.3087, 2589.718)(525.3091, 793.14746)(526.31024, 302.87)" PG(19:1(9Z)/0:0) - 13.3502 FindByFormula - LMGP04050022 524.3134 13.3502 PG(19:1(9Z)/0:0) - 13.3502 :1 "PG(19:1(9Z)/0:0) [ C25 H49 O9 P, db=86.98, tgt=, overall=86.98, Lipid ID=LMGP04050022, METLIN ID=80010 ]" "(523.3058, 8019.5693)(524.3087, 2653.198)(525.3089, 847.682)" PG(19:1(9Z)/0:0) - 13.3502 :1 FindByFormula - LMGP04050022 524.3113 13.3502 PG(19:1(9Z)/0:0) - 13.657666 "PG(19:1(9Z)/0:0) [ C25 H49 O9 P, db=69.31, tgt=, overall=69.31, Lipid ID=LMGP04050022, METLIN ID=80010 ]" "(523.3066, 3953.8298)(524.30615, 1304.5267)(525.30786, 641.81995)" PG(19:1(9Z)/0:0) - 13.657666 FindByFormula - LMGP04050022 524.3125 13.657666 PG(20:1(11Z)/0:0) "PG(20:1(11Z)/0:0) [ C26 H51 O9 P, db=90.81, tgt=, overall=90.81, Lipid ID=LMGP04050023, METLIN ID=80011 ]" "(537.32153, 1758.2734)(538.3249, 544.26)(539.32697, 176.41667)" PG(20:1(11Z)/0:0) FindByFormula - LMGP04050023 538.329 14.165668 PG(20:1(11Z)/0:0) - 14.1565 "PG(20:1(11Z)/0:0) [ C26 H51 O9 P, db=93.52, tgt=, overall=93.52, Lipid ID=LMGP04050023, METLIN ID=80011 ]" "(537.32135, 2410.0776)(538.3246, 754.5075)(539.32666, 209.36)" PG(20:1(11Z)/0:0) - 14.1565 FindByFormula - LMGP04050023 538.328 14.1565 PG(20:1(11Z)/0:0) - 14.2185 "PG(20:1(11Z)/0:0) [ C26 H51 O9 P, db=84.90, tgt=, overall=84.90, Lipid ID=LMGP04050023, METLIN ID=80011 ]" "(537.3214, 1290.51)(538.3247, 413.32)(539.32434, 166.70999)" PG(20:1(11Z)/0:0) - 14.2185 FindByFormula - LMGP04050023 538.3267 14.2185 PG(20:1(11Z)/0:0) - 15.429667 "PG(20:1(11Z)/0:0) [ C26 H51 O9 P, db=94.57, tgt=, overall=94.57, Lipid ID=LMGP04050023, METLIN ID=80011 ]" "(537.3206, 3798.64)(538.32416, 1169.4967)(539.3258, 383.25)" PG(20:1(11Z)/0:0) - 15.429667 FindByFormula - LMGP04050023 538.3276 15.429667 "PG(20:2(11Z,14Z)/0:0)" "PG(20:2(11Z,14Z)/0:0) [ C26 H49 O9 P, db=66.74, tgt=, overall=66.74, Lipid ID=LMGP04050024, METLIN ID=80012 ]" "(537.32, 3374.355)(538.3219, 1192.9099)(539.31335, 680.145)" "PG(20:2(11Z,14Z)/0:0)" FindByFormula + LMGP04050024 536.3097 18.7075 "PG(20:2(11Z,14Z)/0:0) + 18.258999" "PG(20:2(11Z,14Z)/0:0) [ C26 H49 O9 P, db=63.82, tgt=, overall=63.82, Lipid ID=LMGP04050024, METLIN ID=80012 ]" "(537.32104, 1605.4379)(538.3254, 592.174)(539.3151, 387.932)" "PG(20:2(11Z,14Z)/0:0) + 18.258999" FindByFormula + LMGP04050024 536.3139 18.258999 "PG(20:2(11Z,14Z)/0:0) + 18.62925" "PG(20:2(11Z,14Z)/0:0) [ C26 H49 O9 P, db=68.27, tgt=, overall=68.27, Lipid ID=LMGP04050024, METLIN ID=80012 ]" "(537.3202, 2946.17)(538.32355, 969.51245)(539.3147, 613.59503)" "PG(20:2(11Z,14Z)/0:0) + 18.62925" FindByFormula + LMGP04050024 536.3128 18.62925 "PG(20:3(8Z,11Z,14Z)/0:0)" "PG(20:3(8Z,11Z,14Z)/0:0) [ C26 H47 O9 P, db=88.57, tgt=, overall=88.57, Lipid ID=LMGP04050025, METLIN ID=80013 ]" "(533.2882, 5473.195)(534.2918, 1886.4)(535.2908, 617.08496)" "PG(20:3(8Z,11Z,14Z)/0:0)" FindByFormula - LMGP04050025 534.2945 26.3825 "PG(20:4(5Z,8Z,11Z,14Z)/0:0)" "PG(20:4(5Z,8Z,11Z,14Z)/0:0) [ C26 H45 O9 P, db=62.03, tgt=, overall=62.03, Lipid ID=LMGP04050010, METLIN ID=46735 ]" "(533.2837, 815.70746)(534.29535, 207.93)(535.2959, 117.42)(555.2682, 1190.3776)(556.2719, 520.5467)" "PG(20:4(5Z,8Z,11Z,14Z)/0:0)" FindByFormula + LMGP04050010 532.2764 26.8326 "PG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))" "PG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)) [ C40 H69 O10 P, db=82.87, tgt=, overall=82.87, Lipid ID=LMGP04010623, METLIN ID=79448 ]" "(741.4738, 11092.028)(742.4777, 4604.447)(743.4764, 1381.2971)(744.4789, 327.82)" "PG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))" FindByFormula + LMGP04010623 740.4623 17.7315 "PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)" "PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) [ C26 H43 O9 P, db=75.75, tgt=, overall=75.75, Lipid ID=LMGP04050030, METLIN ID=80018 ]" "(531.2726, 266.14)(553.25397, 548.695)(554.25757, 180.465)" "PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)" FindByFormula + LMGP04050030 530.2659 17.932 "PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))" "PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) [ C46 H77 O10 P, db=5.99, tgt=, overall=5.99, Lipid ID=LMGP04010668, METLIN ID=79493 ]" "(1598.1129, 292.57)(799.5578, 1389.4332)(800.5655, 759.51)(821.5329, 1584.05)(822.557, 1295.14)" "PG(20:5(5Z,8Z,11Z,14Z,17Z)/20:2(11Z,14Z))" FindByFormula + LMGP04010668 798.5527 10.355332 "PG(22:4(7Z,10Z,13Z,16Z)/0:0)" "PG(22:4(7Z,10Z,13Z,16Z)/0:0) [ C28 H49 O9 P, db=65.51, tgt=, overall=65.51, Lipid ID=LMGP04050017, METLIN ID=80005 ]" "(583.30273, 4324.27)(584.3053, 1632.8566)" "PG(22:4(7Z,10Z,13Z,16Z)/0:0)" FindByFormula + LMGP04050017 582.2946 7.6593337 "PG(O-16:0/18:3(9Z,12Z,15Z))" "PG(O-16:0/18:3(9Z,12Z,15Z)) [ C40 H75 O9 P, db=45.47, tgt=, overall=45.47, Lipid ID=LMGP04020077, METLIN ID=79888 ]" "(753.50604, 3355.605)(754.49927, 1860.745)(755.499, 1051.81)" "PG(O-16:0/18:3(9Z,12Z,15Z))" FindByFormula + LMGP04020077 752.5058 7.9895 PG(O-20:0/0:0) "PG(O-20:0/0:0) [ C26 H55 O8 P, db=58.39, tgt=, overall=58.39, Lipid ID=LMGP04060001, METLIN ID=80025 ]" "(549.3505, 12919.21)(550.3528, 4223.57)(551.3537, 2997.32)(587.296, 648.89)(571.3269, 3228.53)(572.3275, 1803.53)(573.3242, 630.465)" PG(O-20:0/0:0) FindByFormula + LMGP04060001 548.338 9.6695 PG(O-20:0/13:0) "PG(O-20:0/13:0) [ C39 H79 O9 P, db=65.55, tgt=, overall=65.55, Lipid ID=LMGP04020042, METLIN ID=79853 ]" "(723.557, 10164.446)(724.556, 2913.73)(725.55225, 511.83804)" PG(O-20:0/13:0) FindByFormula + LMGP04020042 722.5502 24.3492 PG(O-20:0/21:0) "PG(O-20:0/21:0) [ C47 H95 O9 P, db=58.93, tgt=, overall=58.93, Lipid ID=LMGP04020065, METLIN ID=79876 ]" "(835.6809, 3736.215)(836.6811, 3311.3098)(837.6789, 2739.3)" PG(O-20:0/21:0) FindByFormula + LMGP04020065 834.6778 9.717 PG(P-16:0/14:1(9Z)) "PG(P-16:0/14:1(9Z)) [ C36 H69 O9 P, db=78.43, tgt=, overall=78.43, Lipid ID=LMGP04030004, METLIN ID=79908 ]" "(677.47833, 4560.927)(678.48346, 1914.8812)(679.4717, 536.7987)" PG(P-16:0/14:1(9Z)) FindByFormula + LMGP04030004 676.4701 20.6665 PG(P-16:0/16:1(9Z)) "PG(P-16:0/16:1(9Z)) [ C38 H73 O9 P, db=82.40, tgt=, overall=82.40, Lipid ID=LMGP04030008, METLIN ID=79912 ]" "(705.5097, 10018.571)(706.51337, 4279.647)(707.508, 1117.47)" PG(P-16:0/16:1(9Z)) FindByFormula + LMGP04030008 704.5004 23.43406 PGF2alpha-11-acetate "PGF2alpha-11-acetate [ C22 H36 O6, db=80.60, tgt=, overall=80.60, Lipid ID=LMFA03010096, METLIN ID=36160 ]" "(419.2403, 3867.275)(420.24432, 1050.774)(441.2271, 489.58502)" PGF2alpha-11-acetate FindByFormula + LMFA03010096 418.2334 10.1327 PGF2alpha-11-acetate + 10.272 "PGF2alpha-11-acetate [ C22 H36 O6, db=79.56, tgt=, overall=79.56, Lipid ID=LMFA03010096, METLIN ID=36160 ]" "(419.24054, 1929.8401)(420.2458, 471.905)" PGF2alpha-11-acetate + 10.272 FindByFormula + LMFA03010096 418.2353 10.272 PGF2alpha-11-acetate + 10.7942 "PGF2alpha-11-acetate [ C22 H36 O6, db=75.87, tgt=, overall=75.87, Lipid ID=LMFA03010096, METLIN ID=36160 ]" "(419.24033, 1840.15)(420.244, 565.60803)(441.21906, 287.31)" PGF2alpha-11-acetate + 10.7942 FindByFormula + LMFA03010096 418.2326 10.7942 Phaeophorbide b "Phaeophorbide b [ C35 H34 N4 O6, db=73.54, tgt=, overall=73.54, CAS ID=20239-99-0, HMP ID=HMDB31149, METLIN ID=87445 ]" 20239-99-0 "(1257.4592, 460.9125)(1258.4595, 348.9)(1259.467, 231.02501)(1295.4216, 152.33)(1279.4324, 588.26)(1280.4385, 472.11002)(1281.4348, 339.45)(629.2344, 2640.7693)(630.2375, 953.87744)(631.2334, 317.70572)(667.1885, 650.12)(668.1942, 492.05)(651.21564, 1230.4816)(652.2175, 597.2475)(653.2214, 331.86)" Phaeophorbide b FindByFormula HMDB31149 + 628.2281 24.179691 Phaeophorbide b + 24.23447 "Phaeophorbide b [ C35 H34 N4 O6, mfg=95.37, db=95.39, tgt=, overall=95.38, CAS ID=20239-99-0, HMP ID=HMDB31149, METLIN ID=87445 ]" 20239-99-0 "(1213.496, 938.882)(1214.495, 844.1456)(1215.4952, 462.065)(1235.4784, 1046.334)(1236.4757, 998.78503)(1237.4897, 504.10498)(607.2541, 6883.0356)(608.25653, 2581.4224)(609.2598, 729.36334)(645.2075, 453.352)(629.23315, 3447.6045)(630.2358, 1355.4158)(631.24347, 299.1182)" Phaeophorbide b + 24.23447 FindByFormula HMDB31149 + 606.2435 24.23447 Phe His Cys "Phe His Cys [ C18 H23 N5 O4 S, db=11.90, tgt=, overall=11.90, METLIN ID=17687 ]" "(406.15625, 1561.1499)(406.6577, 887.77)(407.15894, 417.785)" Phe His Cys FindByFormula + 810.2998 12.402 Phe Lys "Phe Lys [ C15 H23 N3 O3, db=63.56, tgt=, overall=63.56, METLIN ID=23929 ]" "(294.1811, 1756.25)(295.18237, 518.985)" Phe Lys FindByFormula + 293.1737 1.0899999 Phe Lys Asn "Phe Lys Asn [ C19 H29 N5 O5, db=44.24, tgt=, overall=44.24, METLIN ID=18867 ]" "(815.4389, 7726.403)(816.4372, 3687.03)(817.4331, 1471.9366)(853.3965, 651.935)(430.2072, 2990.13)" Phe Lys Asn FindByFormula + 407.2159 1.1753334 Phe Met Asn "Phe Met Asn [ C18 H26 N4 O5 S, db=64.74, tgt=, overall=64.74, METLIN ID=17213 ]" "(411.16837, 80580.555)(412.1716, 10683.6)" Phe Met Asn FindByFormula + 410.161 11.818893 Phe Met Asn + 11.297333 "Phe Met Asn [ C18 H26 N4 O5 S, db=68.40, tgt=, overall=68.40, METLIN ID=17213 ]" "(411.1688, 14463.164)(412.17258, 2134.9666)" Phe Met Asn + 11.297333 FindByFormula + 410.1618 11.297333 Phe Met Asn + 11.298727 "Phe Met Asn [ C18 H26 N4 O5 S, db=69.73, tgt=, overall=69.73, METLIN ID=17213 ]" "(411.16904, 17055.559)(412.17276, 2586.1255)" Phe Met Asn + 11.298727 FindByFormula + 410.1633 11.298727 Phe Met Asn + 11.307499 "Phe Met Asn [ C18 H26 N4 O5 S, db=69.88, tgt=, overall=69.88, METLIN ID=17213 ]" "(411.1693, 14810.566)(412.17328, 2257.3274)" Phe Met Asn + 11.307499 FindByFormula + 410.162 11.307499 Phe Met Asn + 11.857475 "Phe Met Asn [ C18 H26 N4 O5 S, db=65.85, tgt=, overall=65.85, METLIN ID=17213 ]" "(411.16858, 78974.16)(412.1715, 10468.538)" Phe Met Asn + 11.857475 FindByFormula + 410.1617 11.857475 Phe Met Asn + 11.861 "Phe Met Asn [ C18 H26 N4 O5 S, db=68.47, tgt=, overall=68.47, METLIN ID=17213 ]" "(411.16937, 89666.43)(412.17215, 11849.115)" Phe Met Asn + 11.861 FindByFormula + 410.1616 11.861 Phe Met Asn + 11.862444 "Phe Met Asn [ C18 H26 N4 O5 S, db=67.38, tgt=, overall=67.38, METLIN ID=17213 ]" "(411.16898, 89794.09)(412.17172, 11816.608)" Phe Met Asn + 11.862444 FindByFormula + 410.162 11.862444 Phe Met Asn + 12.414 "Phe Met Asn [ C18 H26 N4 O5 S, db=67.28, tgt=, overall=67.28, METLIN ID=17213 ]" "(411.1687, 17855.02)(412.17178, 2474.9321)" Phe Met Asn + 12.414 FindByFormula + 410.1615 12.414 Phe Met Asn + 12.4265 "Phe Met Asn [ C18 H26 N4 O5 S, db=65.79, tgt=, overall=65.79, METLIN ID=17213 ]" "(411.1685, 18338.99)(412.17212, 2503.86)" Phe Met Asn + 12.4265 FindByFormula + 410.1612 12.4265 Phe Met Asn + 12.4265 :1 "Phe Met Asn [ C18 H26 N4 O5 S, db=64.82, tgt=, overall=64.82, METLIN ID=17213 ]" "(411.1685, 17809.977)(412.17224, 2319.76)" Phe Met Asn + 12.4265 :1 FindByFormula + 410.1611 12.4265 Phe Met Asn + 13.112666 "Phe Met Asn [ C18 H26 N4 O5 S, db=67.65, tgt=, overall=67.65, METLIN ID=17213 ]" "(411.1688, 9795.786)(412.1713, 1381.23)" Phe Met Asn + 13.112666 FindByFormula + 410.1611 13.112666 Phe Met Asn + 13.116249 "Phe Met Asn [ C18 H26 N4 O5 S, db=67.73, tgt=, overall=67.73, METLIN ID=17213 ]" "(411.16895, 8884.625)(412.17224, 1197.3524)" Phe Met Asn + 13.116249 FindByFormula + 410.1613 13.116249 Phe Met Asn + 13.120749 "Phe Met Asn [ C18 H26 N4 O5 S, db=69.76, tgt=, overall=69.76, METLIN ID=17213 ]" "(411.16922, 7713.517)(412.17212, 1111.865)" Phe Met Asn + 13.120749 FindByFormula + 410.1614 13.120749 Phe Thr Lys "Phe Thr Lys [ C19 H30 N4 O5, db=87.04, tgt=, overall=87.04, METLIN ID=19369 ]" "(745.48, 266.36)(373.24805, 26032.879)(374.24252, 5029.875)(375.2405, 1658.73)(411.2057, 6568.9)(412.2094, 1553.91)(413.2126, 605.48)(395.22928, 27148.348)(396.2266, 5366.8496)(397.23282, 1254.7)" Phe Thr Lys FindByFormula + 372.2368 7.9002504 Phe Tyr Gln "Phe Tyr Gln [ C23 H28 N4 O6, db=70.67, tgt=, overall=70.67, METLIN ID=22106 ]" "(479.18787, 1125.3168)(480.1912, 326.335)" Phe Tyr Gln FindByFormula + 478.1814 15.581498 "Phenanthrene-3,4-diol" "Phenanthrene-3,4-diol [ C14 H10 O2, db=98.75, tgt=, overall=98.75, KEGG ID=C03164, METLIN ID=65920 ]" "(211.07526, 23723.498)(212.07812, 3972.86)(213.08023, 427.21)" "Phenanthrene-3,4-diol" FindByFormula + C03164 210.0686 10.0065 "Phenanthrene-4,5-dicarboxylate" "Phenanthrene-4,5-dicarboxylate [ C16 H10 O4, db=82.80, tgt=, overall=82.80, CAS ID=5462-82-8, KEGG ID=C18252, METLIN ID=72096 ]" 5462-82-8 "(265.05054, 4119.8047)(266.05325, 846.8)" "Phenanthrene-4,5-dicarboxylate" FindByFormula - C18252 266.0578 12.84 Phenolic steroid "Phenolic steroid [ C18 H24 O, db=90.14, tgt=, overall=90.14, KEGG ID=C02453, METLIN ID=65771 ]" "(279.1721, 6120.517)(280.17297, 1084.1515)(281.1657, 90.08)(301.1542, 2097.0232)" Phenolic steroid FindByFormula + C02453 278.1662 7.7818565 Phenylacetaldehyde "Phenylacetaldehyde [ C8 H8 O, db=89.28, tgt=, overall=89.28, CAS ID=122-78-1, KEGG ID=C00601, HMP ID=HMDB06236, METLIN ID=58372 ]" 122-78-1 "(121.06464, 5779.3896)(122.06779, 749.1488)(123.0651, 190.06375)" Phenylacetaldehyde FindByFormula HMDB06236 + C00601 120.0578 11.837352 Phenylacetohydroxamic acid "Phenylacetohydroxamic acid [ C8 H9 N O2, db=83.59, tgt=, overall=83.59, CAS ID=5330-97-2, METLIN ID=44449 ]" 5330-97-2 "(152.07109, 16494.72)(153.07294, 1637.1167)(174.05325, 5806.38)(175.0557, 607.87)" Phenylacetohydroxamic acid FindByFormula + 151.064 3.227 Phenylglycol 3-O-sulfate "Phenylglycol 3-O-sulfate [ C8 H10 O6 S, db=70.77, tgt=, overall=70.77, CAS ID=101911-70-0, METLIN ID=734 ]" 101911-70-0 "(513.01416, 580.0)(257.01, 8789.602)(258.01276, 1112.9557)" Phenylglycol 3-O-sulfate FindByFormula + 256.0036 9.768571 Phe-Phe4Cl-OH "Phe-Phe4Cl-OH [ C23 H19 Cl N2 O6, db=55.22, tgt=, overall=55.22, METLIN ID=64972 ]" "(453.08444, 3269.02)(454.0886, 833.755)" Phe-Phe4Cl-OH FindByFormula - 454.0924 9.6765 Phlorhizin "Phlorhizin [ C21 H24 O10, db=62.40, tgt=, overall=62.40, CAS ID=60-81-1, Lipid ID=LMPK12120517, KEGG ID=C01604, HMP ID=HMDB36634, METLIN ID=3535, AGILENTID=4161 ]" 60-81-1 "(435.13095, 6478.675)(436.13348, 1873.3899)(437.13013, 2347.8699)" Phlorhizin FindByFormula HMDB36634 - C01604 LMPK12120517 436.138 11.2895 Phlorhizin - 11.2895 "Phlorhizin [ C21 H24 O10, db=62.40, tgt=, overall=62.40, CAS ID=60-81-1, Lipid ID=LMPK12120517, KEGG ID=C01604, HMP ID=HMDB36634, METLIN ID=3535, AGILENTID=4161 ]" 60-81-1 "(435.13095, 6478.675)(436.13348, 1873.3899)(437.13013, 2347.8699)" Phlorhizin - 11.2895 FindByFormula HMDB36634 - C01604 LMPK12120517 436.1377 11.2895 Phlorin "Phlorin [ C12 H16 O8, db=92.80, tgt=, overall=92.80, CAS ID=28217-60-9, HMP ID=HMDB35589, METLIN ID=90868 ]" 28217-60-9 "(311.07455, 6059.5566)(312.07877, 783.3566)(313.08246, 280.28998)" Phlorin FindByFormula HMDB35589 + 310.0667 2.8353336 Phosphoramide mustard "Phosphoramide mustard [ C4 H11 Cl2 N2 O2 P, db=52.14, tgt=, overall=52.14, CAS ID=10159-53-2, KEGG ID=C07647, METLIN ID=634 ]" 10159-53-2 "(220.99971, 5087.3516)(222.00117, 431.22305)" Phosphoramide mustard FindByFormula + C07647 219.9903 1.0898 Photobarbatusin I "Photobarbatusin I [ C24 H30 O8, db=79.80, tgt=, overall=79.80, CAS ID=62288-03-3, KEGG ID=, METLIN ID=85116 ]" 62288-03-3 "(445.18732, 1381.2474)(446.1896, 368.03998)" Photobarbatusin I FindByFormula - 446.1896 9.959499 Photobarbatusin I - 9.959499 "Photobarbatusin I [ C24 H30 O8, db=79.80, tgt=, overall=79.80, CAS ID=62288-03-3, KEGG ID=, METLIN ID=85116 ]" 62288-03-3 "(445.18732, 1381.2474)(446.1896, 368.03998)" Photobarbatusin I - 9.959499 FindByFormula - 446.1948 9.959499 p-Hydroxynorpropoxyphene "p-Hydroxynorpropoxyphene [ C21 H27 N O3, db=81.72, tgt=, overall=81.72, CAS ID=43117-33-5, METLIN ID=2163 ]" 43117-33-5 "(340.19107, 2037.1266)(341.1944, 406.06003)" p-Hydroxynorpropoxyphene FindByFormula - 341.2007 8.155666 p-Hydroxyphenylacetothiohydroximate "p-Hydroxyphenylacetothiohydroximate [ C8 H9 N O2 S, db=75.76, tgt=, overall=75.76, CAS ID=, KEGG ID=C17239, METLIN ID=64526 ]" "(182.02756, 3103.915)(183.03079, 376.125)" p-Hydroxyphenylacetothiohydroximate FindByFormula - C17239 183.0351 8.8585 p-Hydroxypropoxyphene "p-Hydroxypropoxyphene [ C22 H29 N O3, db=79.05, tgt=, overall=79.05, CAS ID=43117-32-4, METLIN ID=2162 ]" 43117-32-4 "(354.2063, 895.35004)(355.20892, 218.38501)" p-Hydroxypropoxyphene FindByFormula - 355.2141 8.6985 p-Hydroxytriamterene "p-Hydroxytriamterene [ C12 H11 N7 O, db=73.32, tgt=, overall=73.32, CAS ID=1226-52-4, METLIN ID=2909 ]" 1226-52-4 "(270.1109, 1441.2)(271.10754, 285.95502)" p-Hydroxytriamterene FindByFormula + 269.1011 2.848 Physagulin G "Physagulin G [ C36 H50 O15, db=55.60, tgt=, overall=55.60, CAS ID=148076-22-6, HMP ID=HMDB39694, METLIN ID=94249 ]" 148076-22-6 "(721.3109, 1671.735)(722.31445, 731.13)" Physagulin G FindByFormula HMDB39694 - 722.3189 20.4505 Phytosphingosine "Phytosphingosine [ C18 H39 N O3, db=97.39, tgt=, overall=97.39, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.30048, 3290.427)(319.30377, 767.04)(320.30423, 131.31334)" Phytosphingosine FindByFormula HMDB04610 + C12144 LMSP01030001 317.2937 12.201463 Phytosphingosine + 10.936 "Phytosphingosine [ C18 H39 N O3, db=89.46, tgt=, overall=89.46, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.30017, 5967.8164)(319.303, 1511.4033)(320.29758, 230.9075)(340.28125, 1215.885)(341.2872, 297.45)" Phytosphingosine + 10.936 FindByFormula HMDB04610 + C12144 LMSP01030001 317.2929 10.936 Phytosphingosine + 10.9602785 "Phytosphingosine [ C18 H39 N O3, mfg=89.82, db=89.81, tgt=, overall=89.81, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.30017, 4334.886)(319.3036, 1029.1945)(320.29913, 238.70126)(340.28207, 879.50146)(341.28204, 166.46)" Phytosphingosine + 10.9602785 FindByFormula HMDB04610 + C12144 LMSP01030001 317.2928 10.9602785 Phytosphingosine + 10.968644 "Phytosphingosine [ C18 H39 N O3, mfg=89.75, db=89.74, tgt=, overall=89.75, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.30035, 4474.669)(319.30405, 1110.5642)(320.30048, 253.98999)(340.28348, 1065.8068)" Phytosphingosine + 10.968644 FindByFormula HMDB04610 + C12144 LMSP01030001 317.2936 10.968644 Phytosphingosine + 10.971429 "Phytosphingosine [ C18 H39 N O3, db=82.66, tgt=, overall=82.66, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.29984, 4435.4067)(319.30228, 1133.1534)(320.29736, 249.26599)(340.28247, 852.62335)(341.28696, 287.915)" Phytosphingosine + 10.971429 FindByFormula HMDB04610 + C12144 LMSP01030001 317.2924 10.971429 Phytosphingosine + 12.172 "Phytosphingosine [ C18 H39 N O3, db=80.83, tgt=, overall=80.83, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.29987, 2780.536)(319.30292, 683.214)" Phytosphingosine + 12.172 FindByFormula HMDB04610 + C12144 LMSP01030001 317.2927 12.172 Phytosphingosine + 12.1994 "Phytosphingosine [ C18 H39 N O3, db=88.46, tgt=, overall=88.46, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.30045, 3561.854)(319.30322, 896.75195)(320.3005, 209.66)" Phytosphingosine + 12.1994 FindByFormula HMDB04610 + C12144 LMSP01030001 317.2925 12.1994 Phytosphingosine + 12.203 "Phytosphingosine [ C18 H39 N O3, db=89.74, tgt=, overall=89.74, CAS ID=554-62-1, Lipid ID=LMSP01030001, KEGG ID=C12144, HMP ID=HMDB04610, METLIN ID=7066 ]" 554-62-1 "(318.30093, 4075.782)(319.30298, 1035.888)(320.30154, 185.78333)(340.2839, 100.67)" Phytosphingosine + 12.203 FindByFormula HMDB04610 + C12144 LMSP01030001 317.2931 12.203 PI(12:0/12:0) "PI(12:0/12:0) [ C33 H63 O13 P, db=84.42, tgt=, overall=84.42, Lipid ID=LMGP06010962, METLIN ID=80984 ]" "(699.40735, 70731.19)(700.41064, 28235.975)(701.4094, 12480.92)(702.41, 3559.064)(703.4107, 983.30115)" PI(12:0/12:0) FindByFormula + LMGP06010962 698.3985 17.014503 PI(12:0/12:0) + 16.1085 "PI(12:0/12:0) [ C33 H63 O13 P, db=66.78, tgt=, overall=66.78, Lipid ID=LMGP06010962, METLIN ID=80984 ]" "(721.3907, 805.18506)(722.39233, 342.55002)" PI(12:0/12:0) + 16.1085 FindByFormula + LMGP06010962 720.3804 16.1085 PI(12:0/12:0) + 17.014532 "PI(12:0/12:0) [ C33 H63 O13 P, db=84.88, tgt=, overall=84.88, Lipid ID=LMGP06010962, METLIN ID=80984 ]" "(699.4073, 70976.0)(700.4107, 28332.104)(701.4095, 12517.156)" PI(12:0/12:0) + 17.014532 FindByFormula + LMGP06010962 698.3963 17.014532 PI(12:0/13:0) "PI(12:0/13:0) [ C34 H65 O13 P, db=93.89, tgt=, overall=93.89, CAS ID=1246429-77-5, Lipid ID=LMGP06010003, METLIN ID=40886 ]" 1246429-77-5 "(713.4238, 5438.149)(714.4275, 2405.7336)(715.4279, 745.18726)(716.4228, 295.82498)" PI(12:0/13:0) FindByFormula + LMGP06010003 712.4136 22.501314 PI(12:0/13:0) - 6.8040004 "PI(12:0/13:0) [ C34 H65 O13 P, db=54.76, tgt=, overall=54.76, CAS ID=1246429-77-5, Lipid ID=LMGP06010003, METLIN ID=40886 ]" 1246429-77-5 "(711.4069, 737.9267)(712.4165, 377.28665)" PI(12:0/13:0) - 6.8040004 FindByFormula - LMGP06010003 712.418 6.8040004 PI(12:0/14:1(9Z)) "PI(12:0/14:1(9Z)) [ C35 H65 O13 P, db=61.83, tgt=, overall=61.83, Lipid ID=LMGP06010014, METLIN ID=80036 ]" "(723.41, 952.7917)(724.41504, 446.2317)" PI(12:0/14:1(9Z)) FindByFormula - LMGP06010014 724.4219 8.488999 PI(12:0/18:0) "PI(12:0/18:0) [ C39 H75 O13 P, db=92.16, tgt=, overall=92.16, Lipid ID=LMGP06010913, METLIN ID=80935 ]" "(805.4836, 9193.337)(806.4863, 4652.0996)(807.4905, 1579.0668)(843.43945, 2409.85)(844.43536, 1178.575)(845.4464, 404.97998)(827.4671, 5177.69)(828.46674, 2823.9434)(829.4709, 1139.0101)" PI(12:0/18:0) FindByFormula + LMGP06010913 804.477 10.1050005 "PI(12:0/20:3(8Z,11Z,14Z))" "PI(12:0/20:3(8Z,11Z,14Z)) [ C41 H73 O13 P, db=79.47, tgt=, overall=79.47, Lipid ID=LMGP06010029, METLIN ID=80051 ]" "(827.4667, 7272.2197)(828.4691, 3901.105)(829.4668, 1396.085)" "PI(12:0/20:3(8Z,11Z,14Z))" FindByFormula + LMGP06010029 826.4607 10.0775 PI(13:0/13:0) "PI(13:0/13:0) [ C35 H67 O13 P, db=87.54, tgt=, overall=87.54, Lipid ID=LMGP06010949, METLIN ID=80971 ]" "(725.42316, 2568.0698)(726.4259, 1206.182)(727.4311, 405.56)" PI(13:0/13:0) FindByFormula - LMGP06010949 726.4395 10.4282 PI(15:1(9Z)/15:0) "PI(15:1(9Z)/15:0) [ C39 H73 O13 P, db=79.65, tgt=, overall=79.65, Lipid ID=LMGP06010133, METLIN ID=80155 ]" "(803.4664, 2506.56)(804.47095, 1419.815)(805.4786, 326.43)" PI(15:1(9Z)/15:0) FindByFormula + LMGP06010133 802.4579 9.898 "PI(15:1(9Z)/18:4(6Z,9Z,12Z,15Z))" "PI(15:1(9Z)/18:4(6Z,9Z,12Z,15Z)) [ C42 H71 O13 P, db=43.04, tgt=, overall=43.04, Lipid ID=LMGP06010145, METLIN ID=80167 ]" "(813.45404, 904.5625)(814.4538, 734.2575)" "PI(15:1(9Z)/18:4(6Z,9Z,12Z,15Z))" FindByFormula - LMGP06010145 814.4624 8.591 PI(16:0/0:0) "PI(16:0/0:0) [ C25 H49 O12 P, db=88.67, tgt=, overall=88.67, Lipid ID=LMGP06050002, METLIN ID=46744 ]" "(571.2864, 7902.3823)(572.28973, 2185.08)(573.29193, 635.00146)(574.3049, 325.09)" PI(16:0/0:0) FindByFormula - LMGP06050002 572.2947 16.703875 "PI(16:0/16:2(9Z,12Z))" "PI(16:0/16:2(9Z,12Z)) [ C41 H75 O13 P, db=65.71, tgt=, overall=65.71, KEGG ID=C00626, HMP ID=HMDB09780, METLIN ID=61165 ]" "(426.23608, 2185.8567)(426.73715, 949.78)(851.46704, 1866.8201)(852.4682, 967.845)(437.22937, 1536.49)(437.73135, 550.185)" "PI(16:0/16:2(9Z,12Z))" FindByFormula HMDB09780 + C00626 850.4536 1.6480001 PI(16:0/18:0) "PI(16:0/18:0) [ C43 H83 O13 P, db=89.46, tgt=, overall=89.46, KEGG ID=C00626, HMP ID=HMDB09781, METLIN ID=61166 ]" "(817.58136, 2362.415)(818.58386, 1429.88)(819.58704, 650.71497)(855.5293, 4830.89)(856.5274, 2742.9648)(857.5292, 1109.1849)(839.5625, 14316.439)(840.56555, 8064.545)(841.56824, 2825.775)(842.5685, 889.31)" PI(16:0/18:0) FindByFormula HMDB09781 + C00626 816.5756 11.4105 PI(16:0/18:0) - 11.4055 "PI(16:0/18:0) [ C43 H83 O13 P, db=80.06, tgt=, overall=80.06, KEGG ID=C00626, HMP ID=HMDB09781, METLIN ID=61166 ]" "(837.54626, 2034.47)(838.54816, 1033.975)(839.5515, 270.35)" PI(16:0/18:0) - 11.4055 FindByFormula HMDB09781 - C00626 838.5494 11.4055 "PI(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PI(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H79 O13 P, db=52.83, tgt=, overall=52.83, Lipid ID=LMGP06010011, METLIN ID=80033 ]" "(905.51746, 657.755)(906.51526, 515.485)" "PI(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP06010011 904.5059 26.573502 "PI(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 1.462" "PI(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H79 O13 P, db=62.83, tgt=, overall=62.83, Lipid ID=LMGP06010011, METLIN ID=80033 ]" "(905.51587, 2268.195)(906.52075, 997.755)(943.4748, 702.16)(927.5023, 2126.71)(928.49945, 910.67004)(929.50995, 361.88)" "PI(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 1.462" FindByFormula + LMGP06010011 904.5142 1.462 "PI(17:0/18:4(6Z,9Z,12Z,15Z))" "PI(17:0/18:4(6Z,9Z,12Z,15Z)) [ C44 H77 O13 P, db=73.67, tgt=, overall=73.67, Lipid ID=LMGP06010204, METLIN ID=80226 ]" "(845.5215, 4009.6833)(846.52496, 2223.1116)(847.5232, 983.8833)" "PI(17:0/18:4(6Z,9Z,12Z,15Z))" FindByFormula + LMGP06010204 844.5143 13.672168 "PI(17:2(9Z,12Z)/20:2(11Z,14Z))" "PI(17:2(9Z,12Z)/20:2(11Z,14Z)) [ C46 H81 O13 P, db=73.27, tgt=, overall=73.27, Lipid ID=LMGP06010266, METLIN ID=80288 ]" "(873.55145, 2331.54)(874.5554, 1274.951)(875.55316, 368.3944)(876.5529, 462.1)" "PI(17:2(9Z,12Z)/20:2(11Z,14Z))" FindByFormula + LMGP06010266 872.543 17.687222 "PI(17:2(9Z,12Z)/20:2(11Z,14Z)) + 17.408834" "PI(17:2(9Z,12Z)/20:2(11Z,14Z)) [ C46 H81 O13 P, db=82.08, tgt=, overall=82.08, Lipid ID=LMGP06010266, METLIN ID=80288 ]" "(873.5527, 1953.355)(874.5569, 957.99835)(875.5542, 303.30334)" "PI(17:2(9Z,12Z)/20:2(11Z,14Z)) + 17.408834" FindByFormula + LMGP06010266 872.5476 17.408834 "PI(17:2(9Z,12Z)/20:2(11Z,14Z)) + 17.743427" "PI(17:2(9Z,12Z)/20:2(11Z,14Z)) [ C46 H81 O13 P, db=73.70, tgt=, overall=73.70, Lipid ID=LMGP06010266, METLIN ID=80288 ]" "(873.5524, 3403.4414)(874.5561, 1583.0599)(875.5538, 432.41144)(876.5529, 462.1)" "PI(17:2(9Z,12Z)/20:2(11Z,14Z)) + 17.743427" FindByFormula + LMGP06010266 872.5493 17.743427 PI(18:0/0:0) "PI(18:0/0:0) [ C27 H53 O12 P, db=89.89, tgt=, overall=89.89, Lipid ID=LMGP06050004, METLIN ID=46746 ]" "(599.3178, 6636.892)(600.32104, 2033.31)(601.3227, 525.9875)" PI(18:0/0:0) FindByFormula - LMGP06050004 600.3237 26.949627 PI(18:0/15:0) "PI(18:0/15:0) [ C42 H81 O13 P, db=85.75, tgt=, overall=85.75, Lipid ID=LMGP06010278, METLIN ID=80300 ]" "(825.55273, 3520.9666)(826.5546, 1593.3301)(827.5568, 466.8242)" PI(18:0/15:0) FindByFormula + LMGP06010278 824.5433 17.364418 PI(18:0/15:0) + 11.622 "PI(18:0/15:0) [ C42 H81 O13 P, db=75.75, tgt=, overall=75.75, Lipid ID=LMGP06010278, METLIN ID=80300 ]" "(847.5275, 2768.2249)(848.53094, 1422.335)(849.52924, 564.8)(869.5037, 597.5367)(870.50464, 327.10666)(871.5039, 145.31)" PI(18:0/15:0) + 11.622 FindByFormula + LMGP06010278 846.5132 11.622 PI(18:0/15:0) + 11.626 "PI(18:0/15:0) [ C42 H81 O13 P, db=81.68, tgt=, overall=81.68, Lipid ID=LMGP06010278, METLIN ID=80300 ]" "(847.5281, 2796.335)(848.53107, 1353.42)(849.53015, 517.52)(869.50464, 542.845)" PI(18:0/15:0) + 11.626 FindByFormula + LMGP06010278 846.5192 11.626 "PI(18:2(9Z,12Z)/0:0)" "PI(18:2(9Z,12Z)/0:0) [ C27 H49 O12 P, db=54.73, tgt=, overall=54.73, Lipid ID=LMGP06050010, METLIN ID=81175 ]" "(619.2825, 1485.2549)(620.2858, 602.995)(641.26874, 1120.6635)(642.27496, 330.15)" "PI(18:2(9Z,12Z)/0:0)" FindByFormula + LMGP06050010 618.2758 15.3084 "PI(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))" "PI(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) [ C45 H73 O13 P, db=56.42, tgt=, overall=56.42, Lipid ID=LMGP06010378, METLIN ID=80400 ]" "(875.46765, 3210.495)(876.4695, 1856.52)(877.46387, 1348.055)(878.47546, 330.95)" "PI(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))" FindByFormula + LMGP06010378 874.4656 17.835 PI(19:0/0:0) "PI(19:0/0:0) [ C28 H55 O12 P, db=47.68, tgt=, overall=47.68, Lipid ID=LMGP06050027, METLIN ID=81192 ]" "(637.33386, 139249.48)(638.34534, 48246.812)(659.329, 13463.55)" PI(19:0/0:0) FindByFormula + LMGP06050027 636.3305 7.8780003 PI(19:0/13:0) "PI(19:0/13:0) [ C41 H79 O13 P, db=74.48, tgt=, overall=74.48, Lipid ID=LMGP06010841, METLIN ID=80863 ]" "(811.53687, 4502.5874)(812.5413, 1819.1426)(813.531, 814.68744)(814.5298, 306.09665)" PI(19:0/13:0) FindByFormula + LMGP06010841 810.5281 16.036251 PI(19:0/20:0) "PI(19:0/20:0) [ C48 H93 O13 P, db=84.69, tgt=, overall=84.69, Lipid ID=LMGP06010436, METLIN ID=80458 ]" "(909.64716, 13617.88)(910.65094, 6944.815)(911.65125, 2293.338)(912.6461, 498.12)" PI(19:0/20:0) FindByFormula + LMGP06010436 908.641 25.637712 PI(20:0/12:0) "PI(20:0/12:0) [ C41 H79 O13 P, db=75.76, tgt=, overall=75.76, Lipid ID=LMGP06010836, METLIN ID=80858 ]" "(406.26944, 1424.625)(406.78137, 743.09)(407.2637, 228.29)(811.5353, 3545.61)(812.5281, 2298.9849)(813.536, 1382.7)(833.5189, 5916.7397)(834.5152, 2777.655)(835.5094, 513.365)" PI(20:0/12:0) FindByFormula + LMGP06010836 810.5263 6.7345 "PI(20:3(8Z,11Z,14Z)/0:0)" "PI(20:3(8Z,11Z,14Z)/0:0) [ C29 H51 O12 P, db=85.09, tgt=, overall=85.09, Lipid ID=LMGP06050021, METLIN ID=81186 ]" "(645.2985, 4808.9297)(646.30304, 1392.98)(647.30597, 559.478)(648.3191, 206.66)" "PI(20:3(8Z,11Z,14Z)/0:0)" FindByFormula + LMGP06050021 644.2937 26.724625 "PI(20:3(8Z,11Z,14Z)/0:0) + 26.519001" "PI(20:3(8Z,11Z,14Z)/0:0) [ C29 H51 O12 P, db=76.22, tgt=, overall=76.22, Lipid ID=LMGP06050021, METLIN ID=81186 ]" "(645.2981, 7470.5)(646.3026, 2009.5349)(647.2984, 652.41)" "PI(20:3(8Z,11Z,14Z)/0:0) + 26.519001" FindByFormula + LMGP06050021 644.2915 26.519001 "PI(20:3(8Z,11Z,14Z)/0:0) + 26.544998" "PI(20:3(8Z,11Z,14Z)/0:0) [ C29 H51 O12 P, db=68.89, tgt=, overall=68.89, Lipid ID=LMGP06050021, METLIN ID=81186 ]" "(1245.617, 86.51)(623.3172, 7973.5864)(624.32007, 2359.7834)(625.3205, 162.65)(661.2677, 176.81)(645.29877, 10304.38)(646.3032, 3384.4968)" "PI(20:3(8Z,11Z,14Z)/0:0) + 26.544998" FindByFormula + LMGP06050021 622.3098 26.544998 "PI(20:3(8Z,11Z,14Z)/0:0) + 26.59" "PI(20:3(8Z,11Z,14Z)/0:0) [ C29 H51 O12 P, db=63.80, tgt=, overall=63.80, Lipid ID=LMGP06050021, METLIN ID=81186 ]" "(1245.6235, 593.43)(1267.6042, 791.255)(623.3166, 4621.5146)(624.32025, 1420.2876)(625.3228, 1573.93)(626.3166, 334.81)(661.27356, 624.33)(645.29944, 7004.724)(646.3039, 2423.4656)(647.2975, 1432.1799)" "PI(20:3(8Z,11Z,14Z)/0:0) + 26.59" FindByFormula + LMGP06050021 622.3096 26.59 "PI(20:3(8Z,11Z,14Z)/0:0) + 26.745667" "PI(20:3(8Z,11Z,14Z)/0:0) [ C29 H51 O12 P, db=88.44, tgt=, overall=88.44, Lipid ID=LMGP06050021, METLIN ID=81186 ]" "(645.29865, 6898.029)(646.3028, 2166.7417)(647.3044, 628.18243)(648.2978, 254.48001)" "PI(20:3(8Z,11Z,14Z)/0:0) + 26.745667" FindByFormula + LMGP06050021 644.2926 26.745667 "PI(20:3(8Z,11Z,14Z)/0:0) + 26.789274" "PI(20:3(8Z,11Z,14Z)/0:0) [ C29 H51 O12 P, db=89.88, tgt=, overall=89.88, Lipid ID=LMGP06050021, METLIN ID=81186 ]" "(645.2986, 6936.4907)(646.3025, 2280.9463)(647.3043, 706.84296)" "PI(20:3(8Z,11Z,14Z)/0:0) + 26.789274" FindByFormula + LMGP06050021 644.2911 26.789274 "PI(20:4(5Z,8Z,11Z,14Z)/0:0)" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) [ C29 H49 O12 P, db=57.89, tgt=, overall=57.89, Lipid ID=LMGP06050006, METLIN ID=46748 ]" "(643.28357, 3295.3296)(644.2836, 1213.0071)(645.2822, 574.8225)(665.26654, 2506.56)(666.2715, 1000.86615)(667.2684, 80.04)" "PI(20:4(5Z,8Z,11Z,14Z)/0:0)" FindByFormula + LMGP06050006 642.2746 15.390845 "PI(20:4(5Z,8Z,11Z,14Z)/0:0) - 15.173333" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) [ C29 H49 O12 P, db=84.70, tgt=, overall=84.70, Lipid ID=LMGP06050006, METLIN ID=46748 ]" "(619.2861, 7206.8267)(620.28876, 2460.8499)(621.2913, 697.36334)(622.2937, 275.01)" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) - 15.173333" FindByFormula - LMGP06050006 620.2953 15.173333 "PI(20:4(5Z,8Z,11Z,14Z)/0:0) - 15.1835" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) [ C29 H49 O12 P, db=81.40, tgt=, overall=81.40, Lipid ID=LMGP06050006, METLIN ID=46748 ]" "(619.28613, 3372.29)(620.28864, 1280.2849)(621.2914, 363.65)" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) - 15.1835" FindByFormula - LMGP06050006 620.293 15.1835 "PI(20:4(5Z,8Z,11Z,14Z)/0:0) - 15.4960575" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) [ C29 H49 O12 P, db=88.19, tgt=, overall=88.19, Lipid ID=LMGP06050006, METLIN ID=46748 ]" "(619.28613, 13602.234)(620.28925, 4352.825)(621.292, 1017.96356)(622.29407, 352.27)" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) - 15.4960575" FindByFormula - LMGP06050006 620.2966 15.4960575 "PI(20:4(5Z,8Z,11Z,14Z)/0:0) + 15.1955" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) [ C29 H49 O12 P, db=71.08, tgt=, overall=71.08, Lipid ID=LMGP06050006, METLIN ID=46748 ]" "(643.2831, 3371.3198)(644.28455, 1045.245)(645.28296, 423.03003)(665.26624, 2732.525)(666.2719, 1421.765)(667.27795, 542.64996)" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) + 15.1955" FindByFormula + LMGP06050006 642.2759 15.1955 "PI(20:4(5Z,8Z,11Z,14Z)/0:0) + 15.540154" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) [ C29 H49 O12 P, db=61.06, tgt=, overall=61.06, Lipid ID=LMGP06050006, METLIN ID=46748 ]" "(643.2838, 2884.2717)(644.2827, 1043.9656)(645.284, 467.09103)(665.267, 2631.0854)(666.2708, 973.06305)(667.27783, 569.85284)" "PI(20:4(5Z,8Z,11Z,14Z)/0:0) + 15.540154" FindByFormula + LMGP06050006 642.2766 15.540154 "PI(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z))" "PI(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z)) [ C48 H81 O13 P, db=88.86, tgt=, overall=88.86, Lipid ID=LMGP06010634, METLIN ID=80656 ]" "(919.5291, 8417.1045)(920.5305, 4652.6533)(921.5341, 1666.7982)(922.52997, 634.01746)" "PI(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z))" FindByFormula + LMGP06010634 918.5245 13.7305 "PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))" "PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)) [ C51 H81 O13 P, db=82.60, tgt=, overall=82.60, Lipid ID=LMGP06010645, METLIN ID=80667 ]" "(933.5513, 1810.835)(934.5492, 1074.28)(935.5572, 490.57)" "PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))" FindByFormula + LMGP06010645 932.5495 21.7695 "PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C51 H77 O13 P, db=67.32, tgt=, overall=67.32, Lipid ID=LMGP06010825, METLIN ID=80847 ]" "(929.5184, 751.75)(930.5189, 175.94)(931.52844, 70.845)" "PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP06010825 928.5089 22.5195 PI(21:0/0:0) "PI(21:0/0:0) [ C30 H59 O12 P, db=77.96, tgt=, overall=77.96, Lipid ID=LMGP06050025, METLIN ID=81190 ]" "(643.37646, 2482.905)(644.38464, 1216.395)(645.3761, 538.4)(665.36224, 5505.7)(666.367, 2356.25)(667.3602, 579.405)" PI(21:0/0:0) FindByFormula + LMGP06050025 642.3722 11.9005 PI(22:0/0:0) "PI(22:0/0:0) [ C31 H61 O12 P, db=14.37, tgt=, overall=14.37, Lipid ID=LMGP06050024, METLIN ID=81189 ]" "(1313.7957, 1464.9)(1314.7891, 908.615)(1315.798, 739.66)(1335.7784, 640.47)(1336.7933, 633.75)(657.39874, 5085.89)(658.39197, 2122.32)(659.3889, 5487.45)" PI(22:0/0:0) FindByFormula + LMGP06050024 656.3959 1.1155 PI(22:0/0:0) - 8.176 "PI(22:0/0:0) [ C31 H61 O12 P, db=91.42, tgt=, overall=91.42, Lipid ID=LMGP06050024, METLIN ID=81189 ]" "(655.3828, 12140.061)(656.3841, 4384.27)(657.3843, 1165.28)" PI(22:0/0:0) - 8.176 FindByFormula - LMGP06050024 656.3879 8.176 PI(22:0/0:0) - 8.176 :1 "PI(22:0/0:0) [ C31 H61 O12 P, db=91.42, tgt=, overall=91.42, Lipid ID=LMGP06050024, METLIN ID=81189 ]" "(655.3828, 12140.061)(656.3841, 4384.27)(657.3843, 1165.28)" PI(22:0/0:0) - 8.176 :1 FindByFormula - LMGP06050024 656.3886 8.176 PI(22:1(11Z)/0:0) "PI(22:1(11Z)/0:0) [ C31 H59 O12 P, db=69.45, tgt=, overall=69.45, Lipid ID=LMGP06050022, METLIN ID=81187 ]" "(677.3628, 3787.9502)(678.3645, 1015.99)" PI(22:1(11Z)/0:0) FindByFormula + LMGP06050022 676.3554 7.7075 PI(O-16:0/0:0) "PI(O-16:0/0:0) [ C25 H51 O11 P, db=25.15, tgt=, overall=25.15, Lipid ID=LMGP06060003, METLIN ID=81200 ]" "(537.3386, 184.14)(538.333, 68.49)(559.3234, 1161.78)(560.3086, 436.31)" PI(O-16:0/0:0) FindByFormula + LMGP06060003 536.3302 1.2685001 "PI(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PI(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C51 H89 O12 P, db=91.99, tgt=, overall=91.99, Lipid ID=LMGP06020001, METLIN ID=80985 ]" "(485.29288, 4517.1636)(485.79602, 2471.5967)(486.296, 1014.3735)(486.79272, 321.335)" "PI(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP06020001 968.5728 16.447834 PI(P-16:0/16:1(9Z)) "PI(P-16:0/16:1(9Z)) [ C41 H77 O12 P, db=95.34, tgt=, overall=95.34, Lipid ID=LMGP06030009, METLIN ID=81086 ]" "(815.50476, 348897.97)(816.5082, 159205.28)(817.5129, 27753.6)(818.517, 6642.52)(819.5218, 1364.03)(820.5197, 362.31)" PI(P-16:0/16:1(9Z)) FindByFormula + LMGP06030009 814.494 16.71 "PI(P-20:0/22:4(7Z,10Z,13Z,16Z))" "PI(P-20:0/22:4(7Z,10Z,13Z,16Z)) [ C51 H91 O12 P, db=87.72, tgt=, overall=87.72, Lipid ID=LMGP06030086, METLIN ID=81163 ]" "(949.61676, 2385.075)(950.61957, 1273.735)(951.6252, 506.0)(987.5669, 577.15)" "PI(P-20:0/22:4(7Z,10Z,13Z,16Z))" FindByFormula + LMGP06030086 948.6077 1.1270001 Picolinamide "Picolinamide [ C6 H6 N2 O, db=85.69, tgt=, overall=85.69, CAS ID=1452-77-3, KEGG ID=C01950, METLIN ID=65685 ]" 1452-77-3 "(123.05554, 87201.71)(124.05727, 7218.759)" Picolinamide FindByFormula + C01950 122.048 1.0906667 Picolinamide + 1.0922858 "Picolinamide [ C6 H6 N2 O, db=85.63, tgt=, overall=85.63, CAS ID=1452-77-3, KEGG ID=C01950, METLIN ID=65685 ]" 1452-77-3 "(245.10771, 310.71335)(123.05548, 91162.13)(124.05706, 7301.561)" Picolinamide + 1.0922858 FindByFormula + C01950 122.0481 1.0922858 Picraquassioside A "Picraquassioside A [ C18 H22 O10, db=94.48, tgt=, overall=94.48, CAS ID=169312-28-1, HMP ID=HMDB41285, METLIN ID=95699 ]" 169312-28-1 "(399.12817, 53571.168)(400.13156, 11510.807)(401.13742, 3477.8489)(402.14288, 1519.3474)" Picraquassioside A FindByFormula HMDB41285 + 398.1204 7.232665 Picraquassioside A + 7.2009 "Picraquassioside A [ C18 H22 O10, db=97.91, tgt=, overall=97.91, CAS ID=169312-28-1, HMP ID=HMDB41285, METLIN ID=95699 ]" 169312-28-1 "(791.247, 1674.4235)(792.2523, 1116.39)(775.26514, 45685.418)(776.26886, 21657.256)(777.27374, 7037.2397)(377.14627, 2948.6736)(378.1536, 861.2786)(415.1026, 6928.798)(416.10562, 1563.9701)(399.1281, 66289.0)(400.13156, 14040.675)(401.13687, 2999.712)(402.1467, 1470.87)" Picraquassioside A + 7.2009 FindByFormula HMDB41285 + 376.1398 7.2009 Picraquassioside A + 7.3016663 "Picraquassioside A [ C18 H22 O10, mfg=83.57, db=83.57, tgt=, overall=83.57, CAS ID=169312-28-1, HMP ID=HMDB41285, METLIN ID=95699 ]" 169312-28-1 "(399.12878, 28789.367)(400.13333, 5419.533)(401.139, 2649.13)" Picraquassioside A + 7.3016663 FindByFormula HMDB41285 + 398.1209 7.3016663 Picrasin G "Picrasin G [ C21 H28 O7, db=91.47, tgt=, overall=91.47, CAS ID=35598-69-7, KEGG ID=C17054, METLIN ID=71529 ]" 35598-69-7 "(391.17792, 15300.92)(392.181, 3273.6948)(393.18182, 852.17)" Picrasin G FindByFormula - C17054 392.1864 11.2705 Pimecrolimus "Pimecrolimus [ C43 H68 Cl N O11, db=49.29, tgt=, overall=49.29, CAS ID=137071-32-0, HMP ID=HMDB14481, METLIN ID=85365 ]" 137071-32-0 "(832.4409, 2916.4734)(833.44135, 1418.9233)" Pimecrolimus FindByFormula HMDB14481 + 831.4349 17.975666 Pindac "Pindac [ C13 H19 N5, db=95.51, tgt=, overall=95.51, CAS ID=60560-33-0, KEGG ID=C13729, METLIN ID=1941 ]" 60560-33-0 "(491.32785, 685.44556)(529.29004, 593.63873)(513.3126, 303.58)(246.17056, 84246.02)(247.17314, 11664.833)(248.1741, 1560.2898)(249.17169, 127.61334)(284.1266, 451.0956)(268.15237, 8943.702)(269.15417, 1371.0671)(270.15775, 253.98799)" Pindac FindByFormula + C13729 245.1637 6.967749 Pindac + 6.946605 "Pindac [ C13 H19 N5, db=95.23, tgt=, overall=95.23, CAS ID=60560-33-0, KEGG ID=C13729, METLIN ID=1941 ]" 60560-33-0 "(491.32776, 528.1)(529.2928, 1051.8921)(513.30945, 462.6225)(246.1706, 67026.18)(247.17267, 9889.234)(248.17336, 1432.8622)(249.17271, 149.3975)(284.12622, 502.01456)(268.15237, 7098.3545)(269.15408, 1047.9867)(270.15588, 337.01636)" Pindac + 6.946605 FindByFormula + C13729 245.163 6.946605 Pindac + 7.0122423 "Pindac [ C13 H19 N5, db=96.50, tgt=, overall=96.50, CAS ID=60560-33-0, KEGG ID=C13729, METLIN ID=1941 ]" 60560-33-0 "(491.32727, 426.865)(529.2898, 605.682)(513.3053, 144.43)(246.17053, 81588.13)(247.17325, 12143.782)(248.1749, 1751.7019)(284.12735, 617.8395)(268.1523, 9605.945)(269.15396, 1643.3458)(270.1564, 412.66333)" Pindac + 7.0122423 FindByFormula + C13729 245.1627 7.0122423 Pindac + 7.0243635 "Pindac [ C13 H19 N5, db=97.14, tgt=, overall=97.14, CAS ID=60560-33-0, KEGG ID=C13729, METLIN ID=1941 ]" 60560-33-0 "(491.32684, 266.15143)(492.3455, 148.86499)(529.2874, 381.94336)(513.31146, 458.54166)(246.17075, 78429.72)(247.17348, 11331.746)(248.17465, 1541.1003)(249.1769, 552.67)(284.12756, 543.00867)(268.15277, 11378.865)(269.15515, 1811.0894)(270.15598, 416.30856)" Pindac + 7.0243635 FindByFormula + C13729 245.163 7.0243635 Pindac-N-Oxide "Pindac-N-Oxide [ C13 H19 N5 O, db=80.25, tgt=, overall=80.25, CAS ID=83285-82-9, METLIN ID=1942 ]" 83285-82-9 "(262.1653, 8605.195)(263.1654, 1495.9528)(264.1661, 387.09048)(284.14813, 883.6045)(285.1524, 152.044)" Pindac-N-Oxide FindByFormula + 261.1589 1.5096818 Pindac-N-Oxide + 1.4127142 "Pindac-N-Oxide [ C13 H19 N5 O, db=77.98, tgt=, overall=77.98, CAS ID=83285-82-9, METLIN ID=1942 ]" 83285-82-9 "(262.16525, 8084.2373)(263.1641, 1348.1927)(264.1664, 316.50287)(284.1476, 804.54803)(285.1527, 109.535)" Pindac-N-Oxide + 1.4127142 FindByFormula + 261.1588 1.4127142 Pindac-N-Oxide + 1.4919285 "Pindac-N-Oxide [ C13 H19 N5 O, db=77.26, tgt=, overall=77.26, CAS ID=83285-82-9, METLIN ID=1942 ]" 83285-82-9 "(262.16516, 8056.2437)(263.16437, 1311.3463)(264.1657, 319.10617)(300.12045, 321.68668)(284.14847, 1079.369)(285.14996, 492.132)" Pindac-N-Oxide + 1.4919285 FindByFormula + 261.1587 1.4919285 Pindac-N-Oxide + 1.7309 "Pindac-N-Oxide [ C13 H19 N5 O, db=74.87, tgt=, overall=74.87, CAS ID=83285-82-9, METLIN ID=1942 ]" 83285-82-9 "(262.1652, 5625.082)(263.16455, 832.6579)(264.16528, 260.31097)(300.1187, 446.41998)(284.14844, 1087.0416)(285.1429, 642.1)" Pindac-N-Oxide + 1.7309 FindByFormula + 261.1586 1.7309 Pinnatifinoside A "Pinnatifinoside A [ C21 H18 O9, db=81.11, tgt=, overall=81.11, Lipid ID=LMPK12110397, METLIN ID=48828 ]" "(415.10233, 8201.058)(416.1069, 1832.1761)" Pinnatifinoside A FindByFormula + LMPK12110397 414.0958 7.1636367 "PIP(18:0/18:2(9Z,12Z))" "PIP(18:0/18:2(9Z,12Z)) [ C45 H84 O16 P2, db=65.92, tgt=, overall=65.92, KEGG ID=C00626, HMP ID=HMDB09951, METLIN ID=61333 ]" "(965.5148, 1790.97)(966.51886, 1271.115)(967.51324, 886.94495)" "PIP(18:0/18:2(9Z,12Z))" FindByFormula HMDB09951 + C00626 964.509 13.540501 "PIP2(16:0/20:3(5Z,8Z,11Z))" "PIP2(16:0/20:3(5Z,8Z,11Z)) [ C45 H83 O19 P3, db=72.44, tgt=, overall=72.44, KEGG ID=C00626, HMP ID=HMDB10041, METLIN ID=61419 ]" "(1021.4807, 1065.7)(1022.46936, 694.255)(1023.48975, 1074.115)(1024.4834, 483.08502)(1059.4366, 726.135)(1060.4517, 308.155)(1061.4559, 819.54004)(1043.4645, 4702.5503)(1044.4698, 2960.7031)(1045.473, 1878.2632)(1046.4658, 770.015)" "PIP2(16:0/20:3(5Z,8Z,11Z))" FindByFormula HMDB10041 + C00626 1020.4736 13.699333 "PIP2(16:0/20:3(5Z,8Z,11Z)) + 13.70125" "PIP2(16:0/20:3(5Z,8Z,11Z)) [ C45 H83 O19 P3, db=70.73, tgt=, overall=70.73, KEGG ID=C00626, HMP ID=HMDB10041, METLIN ID=61419 ]" "(1043.4644, 3273.6575)(1044.4664, 1828.86)(1045.4685, 1249.9675)(1046.471, 1073.31)" "PIP2(16:0/20:3(5Z,8Z,11Z)) + 13.70125" FindByFormula HMDB10041 + C00626 1042.4574 13.70125 "PIP2(16:0/20:3(5Z,8Z,11Z)) + 13.723332" "PIP2(16:0/20:3(5Z,8Z,11Z)) [ C45 H83 O19 P3, db=62.33, tgt=, overall=62.33, KEGG ID=C00626, HMP ID=HMDB10041, METLIN ID=61419 ]" "(1043.465, 3766.3467)(1044.4684, 1725.0366)(1045.4756, 1598.9668)(1046.4854, 447.23)" "PIP2(16:0/20:3(5Z,8Z,11Z)) + 13.723332" FindByFormula HMDB10041 + C00626 1042.4594 13.723332 PIP2(16:1(9Z)/18:0) "PIP2(16:1(9Z)/18:0) [ C43 H83 O19 P3, db=6.91, tgt=, overall=6.91, KEGG ID=C00626, HMP ID=HMDB10053, METLIN ID=61431 ]" "(997.4779, 40346.13)(997.973, 34381.65)(998.47675, 7662.685)(998.9805, 2822.9)" PIP2(16:1(9Z)/18:0) FindByFormula HMDB10053 + C00626 1992.947 9.193 Pipercyclobutanamide A "Pipercyclobutanamide A [ C34 H38 N2 O6, db=77.94, tgt=, overall=77.94, CAS ID=, HMP ID=HMDB36360, METLIN ID=91504 ]" "(569.26764, 4378.048)(570.27106, 1170.415)(571.2776, 277.6)" Pipercyclobutanamide A FindByFormula HMDB36360 - 570.2747 14.766749 Piperidolate "Piperidolate [ C21 H25 N O2, mfg=73.35, db=73.39, tgt=, overall=73.37, CAS ID=82-98-4, KEGG ID=D08382, METLIN ID=44172 ]" 82-98-4 "(324.19696, 10405.436)(325.20215, 2074.025)" Piperidolate FindByFormula + D08382 323.1919 7.748 Piperine "Piperine [ C17 H19 N O3, db=94.97, tgt=, overall=94.97, CAS ID=94-62-2, Lipid ID=, KEGG ID=C03882, HMP ID=HMDB29377, METLIN ID=43568, AGILENTID=7371 ]" 94-62-2 "(286.14468, 13767.662)(287.14725, 2711.2285)(288.1497, 682.3399)(324.10162, 500.708)(308.127, 2900.5671)(309.1281, 503.99338)(310.12527, 397.7575)" Piperine FindByFormula HMDB29377 + C03882 285.1377 1.7090714 Piperine + 1.7211667 "Piperine [ C17 H19 N O3, db=97.20, tgt=, overall=97.20, CAS ID=94-62-2, Lipid ID=, KEGG ID=C03882, HMP ID=HMDB29377, METLIN ID=43568, AGILENTID=7371 ]" 94-62-2 "(609.2425, 131.29)(286.14456, 12715.836)(287.14743, 2635.6018)(288.1479, 325.624)(324.10034, 459.34)(308.12366, 2040.625)(309.129, 460.26498)" Piperine + 1.7211667 FindByFormula HMDB29377 + C03882 285.1371 1.7211667 Piperolein B "Piperolein B [ C21 H29 N O3, db=49.59, tgt=, overall=49.59, CAS ID=30505-89-6, HMP ID=HMDB30340, METLIN ID=86902 ]" 30505-89-6 "(344.2218, 1607.715)(345.21472, 487.97)" Piperolein B FindByFormula HMDB30340 + 343.213 7.2174997 Pirbuterol "Pirbuterol [ C12 H20 N2 O3, db=98.42, tgt=, overall=98.42, CAS ID=38677-81-5, KEGG ID=C07807, METLIN ID=66744 ]" 38677-81-5 "(503.9513, 990.115)(504.61923, 586.31335)(505.2916, 340.15)(241.15477, 15276.796)(242.15778, 2371.4272)(243.1566, 405.46542)(263.1355, 709.4033)" Pirbuterol FindByFormula + C07807 240.1475 1.2748748 Pirbuterol + 1.1197857 "Pirbuterol [ C12 H20 N2 O3, mfg=96.93, db=96.93, tgt=, overall=96.93, CAS ID=38677-81-5, KEGG ID=C07807, METLIN ID=66744 ]" 38677-81-5 "(504.03598, 2713.7124)(505.02887, 1140.4325)(505.2778, 552.22)(241.15535, 18852.123)(242.15776, 2830.4512)(243.15945, 559.2161)(279.11136, 195.51001)(263.13638, 1061.2561)(264.1395, 437.04)" Pirbuterol + 1.1197857 FindByFormula + C07807 240.1487 1.1197857 Pirbuterol + 1.1557143 "Pirbuterol [ C12 H20 N2 O3, db=87.49, tgt=, overall=87.49, CAS ID=38677-81-5, KEGG ID=C07807, METLIN ID=66744 ]" 38677-81-5 "(241.15543, 10844.578)(242.15773, 1980.3842)(243.1496, 354.24)(263.1345, 793.58)(264.1199, 989.48)" Pirbuterol + 1.1557143 FindByFormula + C07807 240.1479 1.1557143 Pirbuterol + 1.3414544 "Pirbuterol [ C12 H20 N2 O3, db=98.38, tgt=, overall=98.38, CAS ID=38677-81-5, KEGG ID=C07807, METLIN ID=66744 ]" 38677-81-5 "(503.2879, 2776.62)(504.2869, 1167.54)(505.2824, 953.6)(241.15504, 14358.741)(242.15825, 2221.0574)(243.15741, 347.40002)(279.1074, 457.04)(263.1368, 871.51996)(264.14285, 337.77)" Pirbuterol + 1.3414544 FindByFormula + C07807 240.1485 1.3414544 Pirimicarb "Pirimicarb [ C11 H18 N4 O2, mfg=94.33, db=96.01, tgt=, overall=48.01, CAS ID=23103-98-2, KEGG ID=C11079, METLIN ID=68822 ]" 23103-98-2 "(261.13162, 13093.676)(262.13464, 1460.6093)(263.13675, 324.8761)" Pirimicarb FindByFormula + C11079 260.1243 4.682318 Pisumionoside "Pisumionoside [ C19 H32 O9, db=70.63, tgt=, overall=70.63, CAS ID=371113-06-3, HMP ID=HMDB39947, METLIN ID=94489 ]" 371113-06-3 "(405.2115, 5731.92)(406.2103, 1050.04)(389.2373, 704.81)(390.2483, 220.78)(184.132, 4581.91)(185.1316, 721.22)" Pisumionoside FindByFormula HMDB39947 + 183.1247 1.2065 Plerixafor "Plerixafor [ C28 H54 N8, db=43.50, tgt=, overall=43.50, CAS ID=155148-31-5, METLIN ID=45328 ]" 155148-31-5 "(503.4541, 552.95)(504.4516, 307.5)" Plerixafor FindByFormula + 502.4464 24.16 PM-Toxin A "PM-Toxin A [ C33 H60 O8, db=86.43, tgt=, overall=86.43, CAS ID=88212-12-8, KEGG ID=C08553, METLIN ID=67059 ]" 88212-12-8 "(607.4173, 1070.5651)(608.42175, 460.45502)(609.42535, 183.575)" PM-Toxin A FindByFormula + C08553 606.4119 21.907001 p-Nitrophenyl-O-ethyl ethylphosphonate "p-Nitrophenyl-O-ethyl ethylphosphonate [ C10 H14 N O5 P, db=67.91, tgt=, overall=67.91, CAS ID=546-71-4, KEGG ID=C13048, METLIN ID=69527 ]" 546-71-4 "(282.04965, 16733.387)(283.05066, 2414.4292)(284.05087, 1665.3981)(285.0529, 358.46667)" p-Nitrophenyl-O-ethyl ethylphosphonate FindByFormula + C13048 281.0428 0.9597 Podophyllotoxin acetate "Podophyllotoxin acetate [ C24 H24 O9, db=78.92, tgt=, overall=78.92, CAS ID=1180-34-3, METLIN ID=44423 ]" 1180-34-3 "(455.1356, 3386.7734)(456.13818, 791.1633)" Podophyllotoxin acetate FindByFormula - 456.1434 8.817333 Polidocanol "Polidocanol [ C30 H62 O10, db=94.66, tgt=, overall=94.66, CAS ID=3055-99-0, KEGG ID=C13493, METLIN ID=69582 ]" 3055-99-0 "(605.4241, 10276.956)(606.42694, 3606.7568)(607.4252, 899.5393)(608.426, 271.91556)" Polidocanol FindByFormula + C13493 604.4176 17.904041 Poliumoside "Poliumoside [ C35 H46 O19, db=45.54, tgt=, overall=45.54, CAS ID=94079-81-9, Lipid ID=, KEGG ID=, HMP ID=, METLIN ID=, AGILENTID=29193 ]" 94079-81-9 "(793.2534, 10005.93)(794.2649, 2321.03)(795.26526, 3541.165)" Poliumoside FindByFormula + 792.2502 9.6695 "Polyethylene, oxidized" "Polyethylene, oxidized [ C12 H20 O5, db=72.79, tgt=, overall=72.79, CAS ID=68441-17-8, HMP ID=HMDB32472, METLIN ID=88485 ]" 68441-17-8 "(267.1213, 7218.126)(268.12314, 1393.32)" "Polyethylene, oxidized" FindByFormula HMDB32472 + 266.1138 11.8452 Polyoxin B "Polyoxin B [ C17 H25 N5 O13, db=77.02, tgt=, overall=77.02, CAS ID=19396-06-6, KEGG ID=C06692, METLIN ID=66495 ]" 19396-06-6 "(1059.2611, 1190.2933)(530.1365, 42369.516)(531.1395, 12334.518)(532.1378, 4280.5327)(533.1389, 974.2226)(568.0819, 6222.1836)(569.0848, 1860.6327)(552.11536, 6369.3994)(553.11597, 2142.2537)(554.1072, 1592.0884)(555.10736, 580.33746)" Polyoxin B FindByFormula + C06692 529.1263 8.661401 Pongamoside B "Pongamoside B [ C24 H22 O10, db=64.48, tgt=, overall=64.48, Lipid ID=LMPK12110057, METLIN ID=48493 ]" "(471.13065, 2318.5376)(472.1352, 1001.1475)(473.1339, 405.71)" Pongamoside B FindByFormula + LMPK12110057 470.1234 11.2915 Prednicarbate "Prednicarbate [ C27 H36 O8, db=77.98, tgt=, overall=77.98, CAS ID=, METLIN ID=43380 ]" "(487.23462, 3089.0952)(488.2382, 866.4775)" Prednicarbate FindByFormula - 488.2439 10.53175 Primaquine "Primaquine [ C15 H21 N3 O, db=19.07, tgt=, overall=19.07, CAS ID=90-34-6, KEGG ID=C07627, METLIN ID=2078 ]" 90-34-6 "(519.34546, 1579.9099)(520.3463, 831.57996)(521.3317, 900.78)(260.17245, 200.85)" Primaquine FindByFormula + C07627 259.1673 10.945499 Primary fluorescent chlorophyll catabolite "Primary fluorescent chlorophyll catabolite [ C35 H40 N4 O7, db=66.26, tgt=, overall=66.26, CAS ID=, KEGG ID=C18098, METLIN ID=63972 ]" "(629.2971, 2603.085)(630.29785, 1020.655)(631.3013, 1537.5349)(667.2576, 663.85)" Primary fluorescent chlorophyll catabolite FindByFormula + C18098 628.2884 9.507999 Pro Arg "Pro Arg [ C11 H21 N5 O3, db=59.44, tgt=, overall=59.44, METLIN ID=23777 ]" "(272.17215, 4087.975)(273.1718, 1076.26)" Pro Arg FindByFormula + 271.1658 2.4325 Pro Arg Ile "Pro Arg Ile [ C17 H32 N6 O4, db=80.62, tgt=, overall=80.62, METLIN ID=15836 ]" "(383.24176, 1325.676)(384.24487, 328.56403)" Pro Arg Ile FindByFormula - 384.2493 10.895399 Pro Arg Ile + 1.0181429 "Pro Arg Ile [ C17 H32 N6 O4, db=84.92, tgt=, overall=84.92, METLIN ID=15836 ]" "(407.2391, 8206.481)(408.24225, 2030.6356)(409.24088, 684.838)(429.2245, 629.98004)" Pro Arg Ile + 1.0181429 FindByFormula + 406.2373 1.0181429 Pro Arg Pro "Pro Arg Pro [ C16 H28 N6 O4, mfg=55.66, db=55.59, tgt=, overall=55.63, METLIN ID=17240 ]" "(369.22498, 2913.9866)(370.22995, 1056.855)(391.20892, 2705.963)(392.21094, 445.0071)" Pro Arg Pro FindByFormula + 368.2196 9.95825 Pro Arg Pro - 10.56975 "Pro Arg Pro [ C16 H28 N6 O4, db=45.32, tgt=, overall=45.32, METLIN ID=17240 ]" "(403.1857, 5901.44)(367.21094, 4237.5923)(368.2141, 999.3225)" Pro Arg Pro - 10.56975 FindByFormula - 368.2158 10.56975 Pro Gln Leu "Pro Gln Leu [ C16 H28 N4 O5, db=58.60, tgt=, overall=58.60, METLIN ID=17158 ]" "(711.4065, 725.57)(712.40564, 358.61)" Pro Gln Leu FindByFormula - 356.2059 7.9325 Pro His His "Pro His His [ C17 H23 N7 O4, db=68.13, tgt=, overall=68.13, METLIN ID=16927 ]" "(905.24414, 655.76)(906.26086, 95.265)(217.58076, 3105.2666)(218.08203, 864.61993)(434.15, 1087.7734)(435.15048, 157.81667)" Pro His His FindByFormula + 433.1439 10.102666 Pro Leu "Pro Leu [ C11 H20 N2 O3, mfg=97.48, db=97.48, tgt=, overall=97.48, METLIN ID=23647 ]" "(229.155, 6916.4937)(230.15823, 852.17255)(231.16226, 221.696)(251.13652, 461.06082)" Pro Leu FindByFormula + 228.1479 3.27725 Pro Leu + 1.1355001 "Pro Leu [ C11 H20 N2 O3, db=91.50, tgt=, overall=91.50, METLIN ID=23647 ]" "(229.15483, 17790.35)(230.15555, 2797.4775)(231.15906, 405.06332)(267.10986, 268.735)" Pro Leu + 1.1355001 FindByFormula + 228.1479 1.1355001 Pro Leu + 1.1660476 "Pro Leu [ C11 H20 N2 O3, db=98.03, tgt=, overall=98.03, METLIN ID=23647 ]" "(457.3002, 220.51335)(458.3104, 84.1)(479.28424, 514.115)(229.15509, 25789.05)(230.15741, 3066.3152)(231.15942, 499.86435)(267.1127, 260.27)(251.13773, 1625.0963)(252.1336, 420.23)(253.1278, 313.19)" Pro Leu + 1.1660476 FindByFormula + 228.1475 1.1660476 Pro Leu + 1.2112501 "Pro Leu [ C11 H20 N2 O3, db=76.28, tgt=, overall=76.28, METLIN ID=23647 ]" "(251.13687, 4368.9224)(252.13698, 716.0925)" Pro Leu + 1.2112501 FindByFormula + 250.129 1.2112501 Pro Leu + 1.2499565 "Pro Leu [ C11 H20 N2 O3, db=97.20, tgt=, overall=97.20, METLIN ID=23647 ]" "(457.2987, 224.745)(479.27856, 536.83496)(229.15515, 32784.273)(230.15706, 4427.267)(231.15999, 636.1019)(267.1097, 646.79)(251.13724, 2093.1567)(252.13739, 326.955)(253.1399, 81.5)" Pro Leu + 1.2499565 FindByFormula + 228.1464 1.2499565 Pro Leu + 1.25 "Pro Leu [ C11 H20 N2 O3, db=96.92, tgt=, overall=96.92, METLIN ID=23647 ]" "(457.2991, 139.84)(458.2922, 145.97)(229.15509, 31908.393)(230.15689, 4342.1016)(231.15887, 658.2811)(267.11227, 467.33334)(251.1369, 2342.2615)(252.13835, 415.72202)(253.1435, 142.17)" Pro Leu + 1.25 FindByFormula + 228.1479 1.25 Pro Leu + 2.5056667 "Pro Leu [ C11 H20 N2 O3, db=85.79, tgt=, overall=85.79, METLIN ID=23647 ]" "(457.3076, 131.07)(229.15514, 6543.6797)(230.15753, 802.5633)(251.1394, 1167.03)(252.1367, 186.59)" Pro Leu + 2.5056667 FindByFormula + 228.1483 2.5056667 Pro Leu + 3.234 "Pro Leu [ C11 H20 N2 O3, db=85.46, tgt=, overall=85.46, METLIN ID=23647 ]" "(229.15514, 8580.374)(230.15796, 1251.1901)(251.13727, 624.26337)" Pro Leu + 3.234 FindByFormula + 228.1472 3.234 Pro Leu + 3.2676666 "Pro Leu [ C11 H20 N2 O3, db=96.80, tgt=, overall=96.80, METLIN ID=23647 ]" "(229.15503, 8620.874)(230.15799, 1169.3055)(231.1594, 359.1)(251.13692, 670.68854)" Pro Leu + 3.2676666 FindByFormula + 228.1482 3.2676666 Pro Leu + 4.2745 "Pro Leu [ C11 H20 N2 O3, db=85.28, tgt=, overall=85.28, METLIN ID=23647 ]" "(229.1549, 1958.1349)(230.15782, 309.39252)(231.14882, 99.31)(251.13495, 300.31)" Pro Leu + 4.2745 FindByFormula + 228.1474 4.2745 Pro Leu + 4.324 "Pro Leu [ C11 H20 N2 O3, db=79.16, tgt=, overall=79.16, METLIN ID=23647 ]" "(229.15494, 2393.1326)(230.1583, 402.85547)(231.1586, 267.28)(251.1363, 353.97626)" Pro Leu + 4.324 FindByFormula + 228.1476 4.324 Pro Pro "Pro Pro [ C10 H16 N2 O3, db=82.61, tgt=, overall=82.61, METLIN ID=23801 ]" "(447.22586, 1114.3417)(448.22406, 204.04001)(213.12384, 14738.645)(214.12703, 2258.913)(235.10902, 1101.42)" Pro Pro FindByFormula + 212.1167 1.1288824 Pro Pro Asp "Pro Pro Asp [ C14 H21 N3 O6, db=62.76, tgt=, overall=62.76, METLIN ID=19777 ]" "(350.1337, 2235.155)(351.14246, 348.69)" Pro Pro Asp FindByFormula + 349.1262 2.5444999 Probenecid "Probenecid [ C13 H19 N O4 S, db=95.50, tgt=, overall=95.50, CAS ID=57-66-9, KEGG ID=C07372, METLIN ID=2087 ]" 57-66-9 "(308.09253, 19040.225)(309.0962, 2726.1602)(310.09338, 1613.9451)(330.07404, 14728.87)(331.08344, 1507.0549)(332.087, 1863.06)" Probenecid FindByFormula + C07372 307.0851 1.0385001 Probucol "Probucol [ C31 H48 O2 S2, db=80.84, tgt=, overall=80.84, CAS ID=23288-49-5, KEGG ID=C07373, HMP ID=HMDB15537, METLIN ID=2097 ]" 23288-49-5 "(515.30115, 1305.14)(516.3036, 497.35)(517.3059, 319.76)" Probucol FindByFormula HMDB15537 - C07373 516.3091 12.724501 Progesterone 3-biotin "Progesterone 3-biotin [ C38 H59 N5 O5 S, db=93.58, tgt=, overall=93.58, METLIN ID=64895 ]" "(720.41486, 14917.831)(721.417, 6529.3735)(722.4176, 1722.3438)(723.4181, 388.71143)(743.05707, 345.4467)(743.3845, 210.39)" Progesterone 3-biotin FindByFormula + 719.4056 24.219715 Progesterone 3-biotin - 6.7023335 "Progesterone 3-biotin [ C38 H59 N5 O5 S, db=73.88, tgt=, overall=73.88, METLIN ID=64895 ]" "(1393.8263, 1209.4601)(1394.829, 975.98663)(732.3928, 1618.36)(733.39624, 765.975)(734.3889, 690.765)(696.4108, 1367.82)(697.4103, 618.27)" Progesterone 3-biotin - 6.7023335 FindByFormula - 697.42 6.7023335 Progesterone 3-PEG11-biotin "Progesterone 3-PEG11-biotin [ C57 H97 N5 O16 S, db=56.82, tgt=, overall=56.82, METLIN ID=62942 ]" "(1138.6599, 700.065)(1139.6632, 441.03)" Progesterone 3-PEG11-biotin FindByFormula - 1139.6646 6.9005 Promazine N-oxide sulfoxide "Promazine N-oxide sulfoxide [ C17 H20 N2 O2 S, db=81.87, tgt=, overall=81.87, CAS ID=52208-24-9, METLIN ID=2134 ]" 52208-24-9 "(339.11365, 6039.51)(340.11774, 1515.385)(341.11615, 856.685)(361.09473, 2096.565)" Promazine N-oxide sulfoxide FindByFormula + 338.105 1.8415 Prontosil "Prontosil [ C12 H13 N5 O2 S, db=92.27, tgt=, overall=92.27, CAS ID=103-12-8, KEGG ID=C07573, METLIN ID=66686 ]" 103-12-8 "(314.06952, 18945.787)(315.072, 3015.717)(316.06976, 1061.6371)" Prontosil FindByFormula + C07573 313.0609 7.775429 Prontosil - 7.769875 "Prontosil [ C12 H13 N5 O2 S, db=98.25, tgt=, overall=98.25, CAS ID=103-12-8, KEGG ID=C07573, METLIN ID=66686 ]" 103-12-8 "(290.07214, 8195.687)(291.07394, 1190.27)(292.07053, 425.315)" Prontosil - 7.769875 FindByFormula - C07573 291.0774 7.769875 Propofol "Propofol [ C12 H18 O, db=85.64, tgt=, overall=85.64, CAS ID=2078-54-8, KEGG ID=C07523, METLIN ID=2155 ]" 2078-54-8 "(177.128, 2656.2932)(178.13095, 361.8319)" Propofol FindByFormula - C07523 178.1348 10.097437 Propofol glucuronide "Propofol glucuronide [ C18 H26 O7, db=99.36, tgt=, overall=99.36, CAS ID=114991-26-3, METLIN ID=2159 ]" 114991-26-3 "(707.3264, 920.5206)(708.3279, 385.93176)(353.16016, 84817.15)(354.16342, 17130.12)(355.16586, 2784.318)(356.1669, 450.15997)" Propofol glucuronide FindByFormula - 354.1638 10.102778 Prostaglandin A1-biotin "Prostaglandin A1-biotin [ C35 H58 N4 O5 S, db=83.68, tgt=, overall=83.68, METLIN ID=45362 ]" "(700.3862, 921.13666)(335.209, 8896.536)(335.71, 3315.9434)(336.20483, 563.0633)(669.40356, 48451.145)(670.4034, 18496.508)(671.39874, 5102.1367)(672.386, 957.81006)(707.36475, 1405.3201)(691.38257, 8843.53)(692.3758, 2919.01)(693.3856, 382.49)" Prostaglandin A1-biotin FindByFormula + 668.3983 6.9963336 Prostaglandin A2-biotin "Prostaglandin A2-biotin [ C35 H56 N4 O5 S, mfg=69.14, db=70.52, tgt=, overall=35.26, METLIN ID=96466 ]" "(667.3862, 4372.6)(668.39044, 1985.655)(669.3894, 2850.935)" Prostaglandin A2-biotin FindByFormula + 666.3835 9.7335 Prostaglandin E2 p-acetamidophenyl ester "Prostaglandin E2 p-acetamidophenyl ester [ C28 H39 N O6, db=65.89, tgt=, overall=65.89, CAS ID=57790-52-0, METLIN ID=45604 ]" 57790-52-0 "(486.28427, 4152.681)(487.2889, 1526.7499)(488.28052, 758.0533)" Prostaglandin E2 p-acetamidophenyl ester FindByFormula + 485.278 11.832143 Prostaglandin E2-biotin "Prostaglandin E2-biotin [ C35 H58 N4 O6 S, db=33.22, tgt=, overall=33.22, METLIN ID=44962 ]" "(685.3984, 1256.0449)(686.39685, 726.825)(687.3705, 310.87)(707.376, 1138.49)(708.3605, 598.69)" Prostaglandin E2-biotin FindByFormula + 684.3907 7.1735 Protoporphyrin "Protoporphyrin [ C34 H34 N4 O4, db=95.07, tgt=, overall=95.07, CAS ID=553-12-8, KEGG ID=C02191, HMP ID=HMDB00241, METLIN ID=78 ]" 553-12-8 "(1126.0347, 411.1575)(1126.8635, 271.32333)(1127.5139, 352.17)(1148.5251, 172.765)(282.1384, 2627.315)(282.63782, 896.60876)(283.1402, 349.22803)(563.26544, 49742.242)(564.2663, 19957.283)(565.26965, 3771.7405)(566.27094, 1078.7118)(601.22003, 486.71997)(602.2265, 160.71)(585.2477, 5956.6636)(586.24615, 1447.4967)(587.2496, 414.83334)" Protoporphyrin FindByFormula HMDB00241 + C02191 562.2577 20.513643 Prunin 6''-p-coumarate "Prunin 6''-p-coumarate [ C30 H28 O12, db=36.38, tgt=, overall=36.38, Lipid ID=LMPK12140245, METLIN ID=52733 ]" "(581.16626, 3704.6768)(582.17596, 949.95)(583.18054, 1158.35)" Prunin 6''-p-coumarate FindByFormula + LMPK12140245 580.1625 1.2136667 PS(13:0/14:0) "PS(13:0/14:0) [ C33 H64 N O10 P, db=65.83, tgt=, overall=65.83, Lipid ID=LMGP03010069, METLIN ID=77733 ]" "(664.4193, 3336.7202)(665.4203, 1413.345)" PS(13:0/14:0) FindByFormula - LMGP03010069 665.4258 7.0579996 "PS(14:1(9Z)/18:3(9Z,12Z,15Z))" "PS(14:1(9Z)/18:3(9Z,12Z,15Z)) [ C38 H66 N O10 P, db=3.78, tgt=, overall=3.78, Lipid ID=LMGP03010123, METLIN ID=77787 ]" "(750.42865, 5567.225)(750.9324, 4206.2925)(751.426, 2041.6025)(751.9304, 460.13)(772.4017, 756.59)(772.9071, 464.39)(1499.8622, 2547.96)(1500.8645, 1449.475)(761.4186, 1139.985)(761.9292, 687.015)(762.4114, 283.905)" "PS(14:1(9Z)/18:3(9Z,12Z,15Z))" FindByFormula + LMGP03010123 1498.8411 9.882 PS(16:0/0:0) "PS(16:0/0:0) [ C22 H44 N O9 P, db=75.30, tgt=, overall=75.30, Lipid ID=LMGP03050002, METLIN ID=40830 ]" "(496.26752, 2206.715)(497.27136, 669.385)" PS(16:0/0:0) FindByFormula - LMGP03050002 497.2766 10.433001 "PS(17:0/22:4(7Z,10Z,13Z,16Z))" "PS(17:0/22:4(7Z,10Z,13Z,16Z)) [ C45 H80 N O10 P, db=76.40, tgt=, overall=76.40, Lipid ID=LMGP03010247, METLIN ID=77911 ]" "(848.5394, 10528.655)(849.5443, 5116.63)(850.55096, 2703.735)(851.5534, 1070.1483)(852.5616, 475.14)(872.54, 1149.3899)(873.5448, 541.2425)(874.5547, 1761.095)" "PS(17:0/22:4(7Z,10Z,13Z,16Z))" FindByFormula + LMGP03010247 847.5326 22.1461 "PS(17:1(9Z)/22:2(13Z,16Z))" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=86.71, tgt=, overall=86.71, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.5531, 13261.36)(851.55786, 6231.769)(852.56024, 2154.489)(853.5665, 573.35504)(873.16986, 2834.7292)(874.1208, 1475.9951)(874.55304, 2343.1135)(875.56085, 922.4733)" "PS(17:1(9Z)/22:2(13Z,16Z))" FindByFormula + LMGP03010275 849.5471 22.100529 "PS(17:1(9Z)/22:2(13Z,16Z)) + 20.807" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=83.46, tgt=, overall=83.46, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.5561, 3981.4202)(851.5585, 2366.215)(852.5597, 987.72003)(872.536, 582.73)(873.5472, 133.88)(874.5526, 450.82)(875.5559, 126.32)" "PS(17:1(9Z)/22:2(13Z,16Z)) + 20.807" FindByFormula + LMGP03010275 849.551 20.807 "PS(17:1(9Z)/22:2(13Z,16Z)) + 22.00046" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=81.75, tgt=, overall=81.75, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.55273, 14873.66)(851.55676, 6905.7725)(852.56024, 2611.3816)(853.55566, 377.34)(872.79156, 4098.0205)(873.7973, 2081.2917)(874.6937, 5147.7217)(875.55695, 1275.9233)" "PS(17:1(9Z)/22:2(13Z,16Z)) + 22.00046" FindByFormula + LMGP03010275 849.5459 22.00046 "PS(17:1(9Z)/22:2(13Z,16Z)) + 22.01625" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=89.96, tgt=, overall=89.96, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.5539, 23272.314)(851.5592, 10657.157)(852.5619, 3707.4172)(853.5682, 1011.1775)(872.8752, 6118.5493)(873.8831, 2965.0032)(874.5534, 5961.532)(875.5593, 6320.67)" "PS(17:1(9Z)/22:2(13Z,16Z)) + 22.01625" FindByFormula + LMGP03010275 849.548 22.01625 "PS(17:1(9Z)/22:2(13Z,16Z)) + 24.014334" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=81.90, tgt=, overall=81.90, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.55316, 5311.2324)(851.5563, 2653.329)(852.55695, 858.2668)" "PS(17:1(9Z)/22:2(13Z,16Z)) + 24.014334" FindByFormula + LMGP03010275 849.5463 24.014334 "PS(17:1(9Z)/22:2(13Z,16Z)) + 26.6405" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=91.36, tgt=, overall=91.36, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.554, 7587.0273)(851.5588, 3653.6453)(852.562, 1149.3401)(853.5612, 382.674)(872.5397, 2129.4302)(873.55133, 865.87)(874.5567, 991.57)" "PS(17:1(9Z)/22:2(13Z,16Z)) + 26.6405" FindByFormula + LMGP03010275 849.5468 26.6405 "PS(17:1(9Z)/22:2(13Z,16Z)) + 26.737738" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=76.22, tgt=, overall=76.22, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.55286, 5212.7676)(851.5576, 2428.0593)(852.5594, 745.3812)(853.5566, 498.47003)(872.5407, 1449.64)(873.5469, 810.81)(874.55493, 990.08)" "PS(17:1(9Z)/22:2(13Z,16Z)) + 26.737738" FindByFormula + LMGP03010275 849.5459 26.737738 "PS(17:1(9Z)/22:2(13Z,16Z)) + 27.072" "PS(17:1(9Z)/22:2(13Z,16Z)) [ C45 H82 N O10 P, db=69.96, tgt=, overall=69.96, Lipid ID=LMGP03010275, METLIN ID=77939 ]" "(850.55273, 1624.5901)(851.556, 776.26)(852.55884, 331.225)(853.5541, 154.33)(872.5342, 204.42)(873.5334, 434.46)" "PS(17:1(9Z)/22:2(13Z,16Z)) + 27.072" FindByFormula + LMGP03010275 849.5417 27.072 PS(18:1(9Z)/0:0) "PS(18:1(9Z)/0:0) [ C24 H46 N O9 P, db=74.55, tgt=, overall=74.55, Lipid ID=LMGP03050001, METLIN ID=40829 ]" "(546.2786, 1341.346)(547.28125, 402.34198)(548.2667, 105.42999)(568.2559, 409.4)" PS(18:1(9Z)/0:0) FindByFormula + LMGP03050001 545.273 16.8336 PS(18:1(9Z)/0:0) + 16.9415 "PS(18:1(9Z)/0:0) [ C24 H46 N O9 P, db=37.01, tgt=, overall=37.01, Lipid ID=LMGP03050001, METLIN ID=40829 ]" "(524.29614, 1268.365)(525.2949, 538.31995)(546.2764, 803.98)(547.2804, 352.45)" PS(18:1(9Z)/0:0) + 16.9415 FindByFormula + LMGP03050001 523.2882 16.9415 "PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C46 H76 N O10 P, db=81.83, tgt=, overall=81.83, Lipid ID=LMGP03010045, METLIN ID=77709 ]" "(856.5084, 3925.645)(857.51196, 2166.98)(858.51465, 1100.02)" "PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP03010045 855.4979 14.7465 "PS(18:4(6Z,9Z,12Z,15Z)/0:0)" "PS(18:4(6Z,9Z,12Z,15Z)/0:0) [ C24 H40 N O9 P, db=88.89, tgt=, overall=88.89, Lipid ID=LMGP03050018, METLIN ID=78845 ]" "(516.2353, 4603.1953)(517.2412, 1010.08)(518.24023, 247.64499)" "PS(18:4(6Z,9Z,12Z,15Z)/0:0)" FindByFormula - LMGP03050018 517.2428 6.8304996 "PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))" "PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) [ C42 H66 N O10 P, db=85.02, tgt=, overall=85.02, Lipid ID=LMGP03010441, METLIN ID=78105 ]" "(776.4505, 2854.9302)(777.45557, 1715.295)(814.40015, 1457.97)(815.3917, 459.72998)(798.4346, 4507.635)(799.4347, 2314.165)(800.43744, 830.20996)" "PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))" FindByFormula + LMGP03010441 775.4397 11.4935 "PS(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))" "PS(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) [ C44 H70 N O10 P, db=88.90, tgt=, overall=88.90, Lipid ID=LMGP03010448, METLIN ID=78112 ]" "(802.4687, 4822.9243)(803.47015, 2174.9287)(804.4681, 616.21466)" "PS(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))" FindByFormula - LMGP03010448 803.4734 7.330077 PS(19:0/0:0) "PS(19:0/0:0) [ C25 H50 N O9 P, db=46.96, tgt=, overall=46.96, Lipid ID=LMGP03050028, METLIN ID=78855 ]" "(562.3098, 6275.15)(563.30896, 2465.16)" PS(19:0/0:0) FindByFormula + LMGP03050028 561.3028 7.517 PS(19:0/20:1(11Z)) "PS(19:0/20:1(11Z)) [ C45 H86 N O10 P, db=35.16, tgt=, overall=35.16, Lipid ID=LMGP03010469, METLIN ID=78133 ]" "(854.58435, 1053.095)(855.5823, 504.075)" PS(19:0/20:1(11Z)) FindByFormula + LMGP03010469 853.5806 20.204498 "PS(19:0/20:4(5Z,8Z,11Z,14Z))" "PS(19:0/20:4(5Z,8Z,11Z,14Z)) [ C45 H80 N O10 P, db=50.13, tgt=, overall=50.13, Lipid ID=LMGP03010472, METLIN ID=78136 ]" "(848.53845, 12064.238)(849.5462, 5753.5283)(850.55383, 10698.635)(851.5609, 3911.26)(852.5624, 1530.0349)(872.53986, 5015.0146)(873.54517, 2568.65)(874.55396, 4090.71)" "PS(19:0/20:4(5Z,8Z,11Z,14Z))" FindByFormula + LMGP03010472 847.5327 22.005802 "PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H80 N O10 P, db=59.47, tgt=, overall=59.47, Lipid ID=LMGP03010479, METLIN ID=78143 ]" "(872.53955, 8294.681)(873.5447, 3889.95)(874.55206, 6123.377)(875.55884, 3766.34)(876.5628, 1257.075)" "PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP03010479 871.5308 22.386335 "PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 22.018002" "PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H80 N O10 P, db=61.29, tgt=, overall=61.29, Lipid ID=LMGP03010479, METLIN ID=78143 ]" "(872.5384, 10375.911)(873.54425, 5550.0)(874.5519, 7508.194)(875.5579, 3377.036)(876.5604, 2050.15)" "PS(19:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 22.018002" FindByFormula + LMGP03010479 871.5306 22.018002 "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z))" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C45 H78 N O10 P, db=66.89, tgt=, overall=66.89, Lipid ID=LMGP03010503, METLIN ID=78167 ]" "(824.5452, 7250.75)(825.54755, 3309.6033)(826.5584, 1992.15)(827.55347, 681.7)" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z))" FindByFormula + LMGP03010503 823.5431 22.013334 "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 22.033" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C45 H78 N O10 P, db=81.13, tgt=, overall=81.13, Lipid ID=LMGP03010503, METLIN ID=78167 ]" "(824.54395, 5758.6724)(825.5472, 2613.65)(826.55725, 1268.4313)(827.5372, 293.0)" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 22.033" FindByFormula + LMGP03010503 823.5383 22.033 "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 22.295334" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C45 H78 N O10 P, db=73.32, tgt=, overall=73.32, Lipid ID=LMGP03010503, METLIN ID=78167 ]" "(824.5418, 2838.1736)(825.5467, 1126.4701)(826.5522, 724.64996)" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 22.295334" FindByFormula + LMGP03010503 785.5768 22.295334 "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 22.414" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C45 H78 N O10 P, db=62.11, tgt=, overall=62.11, Lipid ID=LMGP03010503, METLIN ID=78167 ]" "(824.5443, 3958.725)(825.5473, 1843.675)(826.56177, 1201.05)" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 22.414" FindByFormula + LMGP03010503 823.5388 22.414 "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.623857" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) [ C45 H78 N O10 P, db=36.45, tgt=, overall=36.45, Lipid ID=LMGP03010503, METLIN ID=78167 ]" "(824.547, 2864.5017)(825.55176, 1262.0543)(826.5659, 971.5929)" "PS(19:1(9Z)/20:4(5Z,8Z,11Z,14Z)) + 26.623857" FindByFormula + LMGP03010503 823.538 26.623857 "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H78 N O10 P, db=63.89, tgt=, overall=63.89, Lipid ID=LMGP03010510, METLIN ID=78174 ]" "(848.5413, 2787.0532)(849.54663, 1440.8553)(850.55457, 2575.345)(851.5596, 672.875)(852.5445, 486.79)" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))" FindByFormula + LMGP03010510 847.5346 26.593767 "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 20.43375" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H78 N O10 P, db=57.92, tgt=, overall=57.92, Lipid ID=LMGP03010510, METLIN ID=78174 ]" "(848.54095, 2974.5825)(849.5455, 1401.905)(850.5545, 5877.23)(851.5577, 2145.96)(852.565, 959.54)" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 20.43375" FindByFormula + LMGP03010510 847.5324 20.43375 "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 20.7905" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H78 N O10 P, db=62.81, tgt=, overall=62.81, Lipid ID=LMGP03010510, METLIN ID=78174 ]" "(848.5399, 7018.545)(849.54626, 3252.9648)(850.5525, 3276.59)(851.5544, 1359.62)(852.5648, 782.08)" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 20.7905" FindByFormula + LMGP03010510 847.5339 20.7905 "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 26.884165" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) [ C47 H78 N O10 P, db=57.92, tgt=, overall=57.92, Lipid ID=LMGP03010510, METLIN ID=78174 ]" "(848.54047, 2737.4434)(849.54614, 1271.2001)(850.5537, 4962.4165)(851.55804, 2312.2131)(852.56445, 1049.5233)(853.5615, 359.9)" "PS(19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 26.884165" FindByFormula + LMGP03010510 847.5326 26.884165 "PS(20:4(5Z,8Z,11Z,14Z)/0:0)" "PS(20:4(5Z,8Z,11Z,14Z)/0:0) [ C26 H44 N O9 P, db=72.76, tgt=, overall=72.76, Lipid ID=LMGP03050007, METLIN ID=46725 ]" "(544.2696, 1291.2925)(545.2727, 420.1275)" "PS(20:4(5Z,8Z,11Z,14Z)/0:0)" FindByFormula - LMGP03050007 545.2779 6.5335 "PS(20:4(5Z,8Z,11Z,14Z)/21:0)" "PS(20:4(5Z,8Z,11Z,14Z)/21:0) [ C47 H84 N O10 P, db=63.62, tgt=, overall=63.62, Lipid ID=LMGP03010643, METLIN ID=78307 ]" "(876.5691, 4842.3203)(877.574, 2363.7952)(878.5816, 2108.605)(879.578, 180.9)(898.5416, 823.88)(899.5286, 75.82)" "PS(20:4(5Z,8Z,11Z,14Z)/21:0)" FindByFormula + LMGP03010643 875.566 22.306002 "PS(20:4(5Z,8Z,11Z,14Z)/21:0) + 20.977667" "PS(20:4(5Z,8Z,11Z,14Z)/21:0) [ C47 H84 N O10 P, db=60.87, tgt=, overall=60.87, Lipid ID=LMGP03010643, METLIN ID=78307 ]" "(876.5689, 1705.8134)(877.5713, 832.48)(878.58374, 750.70337)" "PS(20:4(5Z,8Z,11Z,14Z)/21:0) + 20.977667" FindByFormula + LMGP03010643 875.5653 20.977667 "PS(20:4(5Z,8Z,11Z,14Z)/21:0) + 26.59325" "PS(20:4(5Z,8Z,11Z,14Z)/21:0) [ C47 H84 N O10 P, db=64.38, tgt=, overall=64.38, Lipid ID=LMGP03010643, METLIN ID=78307 ]" "(876.5696, 3477.435)(877.57446, 1729.5325)(878.5824, 1713.1324)(879.58496, 627.33)(880.5759, 464.8)" "PS(20:4(5Z,8Z,11Z,14Z)/21:0) + 26.59325" FindByFormula + LMGP03010643 875.5631 26.59325 "PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)" "PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) [ C26 H42 N O9 P, db=86.08, tgt=, overall=86.08, Lipid ID=LMGP03050027, METLIN ID=78854 ]" "(544.2691, 21121.96)(545.27277, 6766.4937)(546.2714, 2086.3333)" "PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)" FindByFormula + LMGP03050027 543.2603 11.011666 "PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) + 10.991666" "PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) [ C26 H42 N O9 P, db=87.23, tgt=, overall=87.23, Lipid ID=LMGP03050027, METLIN ID=78854 ]" "(1065.5398, 1069.195)(1066.5538, 1906.51)(1067.5667, 256.25)(522.2818, 4784.03)(523.28143, 1671.7933)(524.28595, 989.5433)(560.23987, 1658.33)(561.2416, 620.115)(562.2333, 402.075)(544.2684, 19006.459)(545.273, 6205.8804)(546.26953, 1749.4233)" "PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) + 10.991666" FindByFormula + LMGP03050027 521.279 10.991666 "PS(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z))" "PS(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z)) [ C45 H76 N O10 P, db=38.41, tgt=, overall=38.41, Lipid ID=LMGP03010665, METLIN ID=78329 ]" "(822.529, 5183.2866)(823.538, 2812.57)(824.5412, 1918.1333)(825.5497, 855.06)(826.55786, 701.25)" "PS(20:5(5Z,8Z,11Z,14Z,17Z)/19:1(9Z))" FindByFormula + LMGP03010665 821.517 22.269999 PS(8:0/8:0) "PS(8:0/8:0) [ C22 H42 N O10 P, db=62.47, tgt=, overall=62.47, Lipid ID=LMGP03010021, METLIN ID=40806 ]" "(510.24866, 3049.1099)(511.25476, 952.48004)" PS(8:0/8:0) FindByFormula - LMGP03010021 511.2571 11.257 PS(O-16:0/14:1(9Z)) "PS(O-16:0/14:1(9Z)) [ C36 H70 N O9 P, db=34.60, tgt=, overall=34.60, Lipid ID=LMGP03020004, METLIN ID=78651 ]" "(368.7271, 1002.45496)(369.2259, 504.57)(736.4333, 722.65497)(737.4216, 736.13)" PS(O-16:0/14:1(9Z)) FindByFormula + LMGP03020004 735.4381 1.3790001 "PS(O-16:0/18:3(9Z,12Z,15Z))" "PS(O-16:0/18:3(9Z,12Z,15Z)) [ C40 H74 N O9 P, db=0.00, tgt=, overall=0.00, Lipid ID=LMGP03020077, METLIN ID=78724 ]" "(744.5198, 1881.88)(745.0183, 2419.06)(745.26, 4987.36)(1487.5198, 4715.6)(1488.5221, 4035.8901)(1489.533, 854.43994)" "PS(O-16:0/18:3(9Z,12Z,15Z))" FindByFormula + LMGP03020077 1486.51 9.7885 PS(O-18:0/0:0) "PS(O-18:0/0:0) [ C24 H50 N O8 P, db=92.35, tgt=, overall=92.35, Lipid ID=LMGP03060002, METLIN ID=78862 ]" "(534.31476, 5841.3774)(535.3181, 1671.5375)(536.3195, 278.55002)" PS(O-18:0/0:0) FindByFormula + LMGP03060002 533.3088 13.1365 PS(O-20:0/15:1(9Z)) "PS(O-20:0/15:1(9Z)) [ C41 H80 N O9 P, db=94.91, tgt=, overall=94.91, Lipid ID=LMGP03020046, METLIN ID=78693 ]" "(760.55145, 2323.9067)(761.55444, 1072.34)(762.55615, 238.90332)" PS(O-20:0/15:1(9Z)) FindByFormula - LMGP03020046 761.5573 22.528334 "PS(O-20:0/17:2(9Z,12Z))" "PS(O-20:0/17:2(9Z,12Z)) [ C43 H82 N O9 P, db=80.26, tgt=, overall=80.26, Lipid ID=LMGP03020050, METLIN ID=78697 ]" "(810.55927, 12889.111)(811.5617, 5914.073)(812.56104, 1977.8385)(813.558, 592.4963)" "PS(O-20:0/17:2(9Z,12Z))" FindByFormula + LMGP03020050 809.5502 16.730652 PS(P-16:0/12:0) "PS(P-16:0/12:0) [ C34 H66 N O9 P, db=89.02, tgt=, overall=89.02, Lipid ID=LMGP03030001, METLIN ID=78741 ]" "(664.4561, 6738.827)(665.4599, 1999.2816)(666.4606, 366.78625)(702.4141, 333.935)(686.4396, 1860.2684)(687.4436, 539.805)(688.44604, 102.47)" PS(P-16:0/12:0) FindByFormula + LMGP03030001 663.4485 25.380527 PS(P-16:0/12:0) + 24.1058 "PS(P-16:0/12:0) [ C34 H66 N O9 P, db=37.07, tgt=, overall=37.07, Lipid ID=LMGP03030001, METLIN ID=78741 ]" "(664.4597, 924.31006)(665.46466, 528.46)(686.4396, 1007.3725)" PS(P-16:0/12:0) + 24.1058 FindByFormula + LMGP03030001 663.4514 24.1058 PS(P-16:0/12:0) + 25.4348 "PS(P-16:0/12:0) [ C34 H66 N O9 P, db=77.02, tgt=, overall=77.02, Lipid ID=LMGP03030001, METLIN ID=78741 ]" "(686.436, 3911.92)(687.44104, 958.96204)(688.44604, 388.83502)" PS(P-16:0/12:0) + 25.4348 FindByFormula + LMGP03030001 685.4308 25.4348 PS(P-16:0/12:0) + 25.745588 "PS(P-16:0/12:0) [ C34 H66 N O9 P, db=86.61, tgt=, overall=86.61, Lipid ID=LMGP03030001, METLIN ID=78741 ]" "(664.4553, 6054.7085)(665.45886, 1655.0156)(666.45953, 239.42668)(702.41064, 299.338)(686.43713, 2762.2666)(687.4413, 705.76886)(688.4355, 98.934)" PS(P-16:0/12:0) + 25.745588 FindByFormula + LMGP03030001 663.4489 25.745588 PS(P-16:0/12:0) + 25.748667 "PS(P-16:0/12:0) [ C34 H66 N O9 P, db=75.58, tgt=, overall=75.58, Lipid ID=LMGP03030001, METLIN ID=78741 ]" "(686.4385, 4779.297)(687.44257, 1156.87)(688.44775, 311.59)" PS(P-16:0/12:0) + 25.748667 FindByFormula + LMGP03030001 685.431 25.748667 PS(P-16:0/12:0) + 25.791 "PS(P-16:0/12:0) [ C34 H66 N O9 P, db=64.15, tgt=, overall=64.15, Lipid ID=LMGP03030001, METLIN ID=78741 ]" "(664.456, 6903.3203)(665.45886, 1610.07)(702.4105, 522.34)(686.4378, 3490.4248)(687.44385, 897.975)(688.44324, 309.015)" PS(P-16:0/12:0) + 25.791 FindByFormula + LMGP03030001 663.4487 25.791 Pseudotropine "Pseudotropine [ C8 H15 N O, db=76.02, tgt=, overall=76.02, CAS ID=135-97-7, KEGG ID=C02066, METLIN ID=64426 ]" 135-97-7 "(321.1971, 499.45337)(142.12321, 9663.253)(143.12407, 1244.9441)" Pseudotropine FindByFormula + C02066 141.1192 1.0939168 Psilocybin "Psilocybin [ C12 H17 N2 O4 P, db=71.43, tgt=, overall=71.43, CAS ID=520-52-5, KEGG ID=C07576, METLIN ID=66689 ]" 520-52-5 "(285.1007, 5704.3076)(286.10233, 984.4675)(287.0976, 605.2625)" Psilocybin FindByFormula + C07576 284.0939 6.8050003 Psilocybin - 7.93225 "Psilocybin [ C12 H17 N2 O4 P, db=92.34, tgt=, overall=92.34, CAS ID=520-52-5, KEGG ID=C07576, METLIN ID=66689 ]" 520-52-5 "(567.1739, 367.33)(283.08392, 23667.408)(284.08667, 3438.5676)(285.0888, 636.1257)" Psilocybin - 7.93225 FindByFormula - C07576 284.0918 7.93225 psychosine sulfate "psychosine sulfate [ C24 H47 N O10 S, db=55.13, tgt=, overall=55.13, Lipid ID=LMSP08000002, KEGG ID=C02744, METLIN ID=57589 ]" "(540.2825, 1707.3575)(541.2841, 505.09747)" psychosine sulfate FindByFormula - C02744 LMSP08000002 541.2897 1.70875 punaglandin 3 "punaglandin 3 [ C25 H33 Cl O8, db=51.22, tgt=, overall=51.22, Lipid ID=LMFA03120031, METLIN ID=36414 ]" "(495.18073, 1749.265)(496.1855, 432.105)" punaglandin 3 FindByFormula - LMFA03120031 496.1884 8.3705 punaglandin 6 "punaglandin 6 [ C25 H37 Cl O8, db=62.49, tgt=, overall=62.49, Lipid ID=LMFA03120043, METLIN ID=36426 ]" "(501.2257, 8343.505)(502.22894, 2801.3599)(503.22955, 986.755)" punaglandin 6 FindByFormula + LMFA03120043 500.2175 14.432501 punaglandin 6 + 14.432501 "punaglandin 6 [ C25 H37 Cl O8, db=62.19, tgt=, overall=62.19, Lipid ID=LMFA03120043, METLIN ID=36426 ]" "(501.2257, 8533.05)(502.22906, 2887.3052)(503.2297, 949.22003)(523.2073, 380.55)" punaglandin 6 + 14.432501 FindByFormula + LMFA03120043 500.2189 14.432501 Pyropheophorbide a "Pyropheophorbide a [ C33 H34 N4 O3, db=70.65, tgt=, overall=70.65, CAS ID=, KEGG ID=C18064, METLIN ID=63917 ]" "(535.27167, 2353.8733)(536.2712, 1213.18)(537.2698, 266.35)" Pyropheophorbide a FindByFormula + C18064 534.2633 22.450333 Pyropheophytin b "Pyropheophytin b [ C53 H70 N4 O4, db=62.80, tgt=, overall=62.80, CAS ID=77331-75-0, HMP ID=HMDB34248, METLIN ID=89802 ]" 77331-75-0 "(436.2587, 6282.98)(436.76, 3099.8333)" Pyropheophytin b FindByFormula HMDB34248 + 870.4992 7.9126663 Pyrrhoxanthin "Pyrrhoxanthin [ C39 H48 O6, db=43.03, tgt=, overall=43.03, Lipid ID=LMPR01070008, METLIN ID=41281 ]" "(635.3371, 1197.57)(636.3426, 707.01666)" Pyrrhoxanthin FindByFormula + LMPR01070008 634.327 24.281334 Pyrrhoxanthin + 12.2372 "Pyrrhoxanthin [ C39 H48 O6, mfg=66.22, db=65.70, tgt=, overall=65.96, Lipid ID=LMPR01070008, METLIN ID=41281 ]" "(613.3538, 1942.8539)(614.355, 899.2479)" Pyrrhoxanthin + 12.2372 FindByFormula + LMPR01070008 612.3445 12.2372 Quercetin 3-(6''-acetylglucoside) "Quercetin 3-(6''-acetylglucoside) [ C23 H22 O13, db=87.70, tgt=, overall=87.70, Lipid ID=LMPK12112138, METLIN ID=50554 ]" "(529.09515, 4916.723)(530.0981, 1321.43)(531.0943, 480.75333)(551.08215, 666.9867)" Quercetin 3-(6''-acetylglucoside) FindByFormula + LMPK12112138 528.0895 10.081333 Quercetin 3-alpha-L-arabinopyranosyl-(1-6)-(2''-(E)-p-coumaroylglucoside) "Quercetin 3-alpha-L-arabinopyranosyl-(1-6)-(2''-(E)-p-coumaroylglucoside) [ C35 H34 O18, db=69.91, tgt=, overall=69.91, Lipid ID=LMPK12110571, METLIN ID=49002 ]" "(765.1645, 2192.149)(766.164, 883.6822)(767.16504, 537.405)(787.1489, 395.26)" Quercetin 3-alpha-L-arabinopyranosyl-(1-6)-(2''-(E)-p-coumaroylglucoside) FindByFormula + LMPK12110571 764.1568 13.667445 Quercetin 3-alpha-L-arabinopyranosyl-(1-6)-(2''-(E)-p-coumaroylglucoside) + 13.714667 "Quercetin 3-alpha-L-arabinopyranosyl-(1-6)-(2''-(E)-p-coumaroylglucoside) [ C35 H34 O18, db=63.42, tgt=, overall=63.42, Lipid ID=LMPK12110571, METLIN ID=49002 ]" "(743.1725, 962.07196)(744.1755, 432.19)(745.1831, 452.51)(765.16486, 1488.4021)(766.1693, 650.97205)" Quercetin 3-alpha-L-arabinopyranosyl-(1-6)-(2''-(E)-p-coumaroylglucoside) + 13.714667 FindByFormula + LMPK12110571 742.173 13.714667 Quercetol C "Quercetol C [ C22 H24 O5, db=91.33, tgt=, overall=91.33, Lipid ID=LMPK12140180, METLIN ID=52669 ]" "(367.1569, 5327.5166)(368.15967, 1202.8745)(369.15964, 211.67142)" Quercetol C FindByFormula - LMPK12140180 368.164 10.769778 Quetiapine "Quetiapine [ C21 H25 N3 O2 S, db=11.90, tgt=, overall=11.90, CAS ID=111974-69-7, KEGG ID=C07397, HMP ID=HMDB05021, METLIN ID=58287 ]" 111974-69-7 "(406.15607, 5723.1235)(406.65753, 2990.7068)(407.15912, 1275.8663)(407.65628, 637.4383)(811.4741, 837.9617)(812.31396, 624.47)" Quetiapine FindByFormula HMDB05021 + C07397 810.2982 11.834534 Quetiapine + 11.3262005 "Quetiapine [ C21 H25 N3 O2 S, db=2.77, tgt=, overall=2.77, CAS ID=111974-69-7, KEGG ID=C07397, HMP ID=HMDB05021, METLIN ID=58287 ]" 111974-69-7 "(406.1552, 2013.4519)(406.65997, 1153.6179)(407.16354, 688.06665)(407.6665, 305.58)" Quetiapine + 11.3262005 FindByFormula HMDB05021 + C07397 810.2872 11.3262005 Quillaic acid 3-[rhamnosyl-(1-3)-[galactosyl-(1-2)]-glucuronide] "Quillaic acid 3-[rhamnosyl-(1-3)-[galactosyl-(1-2)]-glucuronide] [ C48 H74 O20, db=90.99, tgt=, overall=90.99, CAS ID=210426-59-8, HMP ID=HMDB33405, METLIN ID=89245 ]" 210426-59-8 "(993.46796, 4250.35)(994.47095, 2423.66)(995.47516, 988.5867)" Quillaic acid 3-[rhamnosyl-(1-3)-[galactosyl-(1-2)]-glucuronide] FindByFormula HMDB33405 + 992.4597 10.238 Quillaic acid 3-[rhamnosyl-(1-3)-[galactosyl-(1-2)]-glucuronide] + 10.195999 "Quillaic acid 3-[rhamnosyl-(1-3)-[galactosyl-(1-2)]-glucuronide] [ C48 H74 O20, db=77.44, tgt=, overall=77.44, CAS ID=210426-59-8, HMP ID=HMDB33405, METLIN ID=89245 ]" 210426-59-8 "(972.4851, 449.095)(973.4791, 130.19)(1009.4369, 1214.095)(993.4662, 6961.2646)(994.4693, 3509.13)(995.4693, 2252.385)" Quillaic acid 3-[rhamnosyl-(1-3)-[galactosyl-(1-2)]-glucuronide] + 10.195999 FindByFormula HMDB33405 + 970.4748 10.195999 Quinagolide glucuronide "Quinagolide glucuronide [ C26 H41 N3 O9 S, db=60.91, tgt=, overall=60.91, CAS ID=, METLIN ID=2212 ]" "(572.26154, 3557.6013)(573.2662, 1183.3462)" Quinagolide glucuronide FindByFormula + 571.2533 17.617624 Quinapril "Quinapril [ C25 H30 N2 O5, db=80.07, tgt=, overall=80.07, CAS ID=85441-61-8, KEGG ID=C07398, HMP ID=HMDB15019, METLIN ID=2216 ]" 85441-61-8 "(461.20447, 9626.98)(462.20862, 2318.895)" Quinapril FindByFormula HMDB15019 + C07398 460.1971 23.9965 Quinapril + 23.9965 "Quinapril [ C25 H30 N2 O5, db=80.15, tgt=, overall=80.15, CAS ID=85441-61-8, KEGG ID=C07398, HMP ID=HMDB15019, METLIN ID=2216 ]" 85441-61-8 "(439.2223, 914.89)(461.2045, 9357.6455)(462.2085, 2239.2449)" Quinapril + 23.9965 FindByFormula HMDB15019 + C07398 438.2144 23.9965 Quinolin-8-ol "Quinolin-8-ol [ C9 H7 N O, db=95.90, tgt=, overall=95.90, CAS ID=148-24-3, KEGG ID=C19434, METLIN ID=44006 ]" 148-24-3 "(146.0603, 4757.543)(147.06297, 534.01697)(148.06041, 121.455444)" Quinolin-8-ol FindByFormula + C19434 145.0531 4.4328995 Quinolin-8-ol + 1.9545 "Quinolin-8-ol [ C9 H7 N O, db=65.93, tgt=, overall=65.93, CAS ID=148-24-3, KEGG ID=C19434, METLIN ID=44006 ]" 148-24-3 "(146.05936, 1868.605)(147.0617, 363.07)" Quinolin-8-ol + 1.9545 FindByFormula + C19434 145.0517 1.9545 Quinolin-8-ol + 4.43225 "Quinolin-8-ol [ C9 H7 N O, db=95.00, tgt=, overall=95.00, CAS ID=148-24-3, KEGG ID=C19434, METLIN ID=44006 ]" 148-24-3 "(146.06042, 4481.3)(147.06313, 611.13245)(148.06558, 100.685)" Quinolin-8-ol + 4.43225 FindByFormula + C19434 145.0533 4.43225 Quinolin-8-ol + 4.432264 "Quinolin-8-ol [ C9 H7 N O, db=95.79, tgt=, overall=95.79, CAS ID=148-24-3, KEGG ID=C19434, METLIN ID=44006 ]" 148-24-3 "(146.0604, 4482.4644)(147.0632, 557.62)(148.06151, 108.73168)" Quinolin-8-ol + 4.432264 FindByFormula + C19434 145.0534 4.432264 Quinolin-8-ol + 6.824 "Quinolin-8-ol [ C9 H7 N O, db=86.68, tgt=, overall=86.68, CAS ID=148-24-3, KEGG ID=C19434, METLIN ID=44006 ]" 148-24-3 "(146.06046, 5134.6963)(147.06332, 550.242)" Quinolin-8-ol + 6.824 FindByFormula + C19434 145.0536 6.824 Racephedrine "Racephedrine [ C10 H15 N O, db=99.21, tgt=, overall=99.21, CAS ID=90-83-5, METLIN ID=44682 ]" 90-83-5 "(166.12285, 20870.713)(167.12555, 2472.6418)(168.13011, 186.55833)" Racephedrine FindByFormula + 165.1153 3.8439412 Racephedrine + 3.8441107 "Racephedrine [ C10 H15 N O, db=99.16, tgt=, overall=99.16, CAS ID=90-83-5, METLIN ID=44682 ]" 90-83-5 "(166.1229, 20658.205)(167.12563, 2446.1904)(168.13011, 186.55833)" Racephedrine + 3.8441107 FindByFormula + 165.1155 3.8441107 Ramipril diketopiperazine "Ramipril diketopiperazine [ C23 H30 N2 O4, db=93.82, tgt=, overall=93.82, CAS ID=108731-95-9, METLIN ID=2247 ]" 108731-95-9 "(399.228, 12318.095)(400.23135, 3664.6)(401.23764, 923.025)(437.1826, 5084.14)(438.1752, 545.0)(439.1761, 743.24)(421.2104, 34222.926)(422.21484, 9785.015)(423.21115, 1544.1799)" Ramipril diketopiperazine FindByFormula + 398.2227 10.032 Ramipril diketopiperazine + 10.05725 "Ramipril diketopiperazine [ C23 H30 N2 O4, db=77.66, tgt=, overall=77.66, CAS ID=108731-95-9, METLIN ID=2247 ]" 108731-95-9 "(421.21106, 20719.113)(422.2135, 5915.728)" Ramipril diketopiperazine + 10.05725 FindByFormula + 420.203 10.05725 Ranitidine "Ranitidine [ C13 H22 N4 O3 S, db=96.06, tgt=, overall=96.06, CAS ID=66357-35-5, KEGG ID=C07233, METLIN ID=2249 ]" 66357-35-5 "(651.2749, 348.86002)(652.2912, 201.54)(315.14963, 29667.553)(316.15228, 5140.3223)(317.14908, 1805.3661)(318.14178, 392.535)(353.10303, 942.93)(354.10638, 211.20999)(355.09964, 146.15857)(337.13284, 8316.399)(338.13306, 1866.56)(339.12973, 747.1512)" Ranitidine FindByFormula + C07233 314.1427 3.494077 Ranitidine - 3.5110002 "Ranitidine [ C13 H22 N4 O3 S, db=94.84, tgt=, overall=94.84, CAS ID=66357-35-5, KEGG ID=C07233, METLIN ID=2249 ]" 66357-35-5 "(349.111, 864.605)(350.1117, 128.43001)(351.1077, 408.315)(313.1349, 2393.28)(314.13715, 452.69)(315.13177, 119.81)" Ranitidine - 3.5110002 FindByFormula - C07233 314.1422 3.5110002 Ranitidine + 3.480875 "Ranitidine [ C13 H22 N4 O3 S, db=97.86, tgt=, overall=97.86, CAS ID=66357-35-5, KEGG ID=C07233, METLIN ID=2249 ]" 66357-35-5 "(315.14926, 26958.805)(316.15176, 4628.286)(317.1475, 1537.5387)(353.1041, 632.87854)(354.10458, 170.014)(355.09412, 104.93333)(337.13174, 6863.6436)(338.1308, 1131.0925)(339.1295, 431.74)(340.12982, 141.975)" Ranitidine + 3.480875 FindByFormula + C07233 314.1425 3.480875 Ranitidine + 3.4919999 "Ranitidine [ C13 H22 N4 O3 S, db=96.74, tgt=, overall=96.74, CAS ID=66357-35-5, KEGG ID=C07233, METLIN ID=2249 ]" 66357-35-5 "(315.1495, 37935.457)(316.1521, 6588.9453)(317.1487, 2297.257)(318.14615, 541.35)(353.10385, 1291.5383)(354.1064, 236.99)(355.10638, 120.29)(337.13223, 9891.823)(338.13257, 1882.8379)(339.1289, 685.4811)" Ranitidine + 3.4919999 FindByFormula + C07233 314.1431 3.4919999 Ranitidine N-oxide "Ranitidine N-oxide [ C13 H22 N4 O4 S, db=97.88, tgt=, overall=97.88, CAS ID=73857-20-2, METLIN ID=2252 ]" 73857-20-2 "(331.14423, 2613.4575)(332.1381, 349.98)(353.1258, 4293.6475)(354.1277, 788.12744)(355.12402, 321.88998)" Ranitidine N-oxide FindByFormula + 330.136 4.27475 Rapamycin "Rapamycin [ C51 H79 N O13, db=80.77, tgt=, overall=80.77, CAS ID=53123-88-9, Lipid ID=LMPK06000003, KEGG ID=C07909, HMP ID=HMDB15015, METLIN ID=45546 ]" 53123-88-9 "(457.78394, 2350.26)(458.28915, 1782.1)(458.7912, 500.28)(914.5613, 5502.1104)(915.55597, 1950.9451)(916.55835, 935.715)(936.54224, 7017.59)(937.5477, 3308.7598)(938.5518, 453.51)" Rapamycin FindByFormula HMDB15015 + C07909 LMPK06000003 913.5649 7.332 Raucaffricine "Raucaffricine [ C27 H32 N2 O8, db=79.52, tgt=, overall=79.52, CAS ID=31282-07-2, KEGG ID=C02074, METLIN ID=64344 ]" 31282-07-2 "(513.2214, 2277.3533)(514.2251, 554.4633)(515.2242, 229.73)" Raucaffricine FindByFormula + C02074 512.2124 18.533667 Repaglinide "Repaglinide [ C27 H36 N2 O4, db=95.38, tgt=, overall=95.38, KEGG ID=C07670, METLIN ID=43323 ]" "(451.25967, 25867.803)(452.26245, 6924.2)(453.26718, 1555.1061)(454.2765, 544.445)" Repaglinide FindByFormula - C07670 452.266 8.8317995 "Riboflavin cyclic-4',5'-phosphate" "Riboflavin cyclic-4',5'-phosphate [ C17 H19 N4 O8 P, db=78.99, tgt=, overall=78.99, KEGG ID=C16071, METLIN ID=71128 ]" "(437.08636, 2087.6802)(438.08887, 510.41998)" "Riboflavin cyclic-4',5'-phosphate" FindByFormula - C16071 438.0949 9.349501 Rifamycin B "Rifamycin B [ C39 H49 N O14, db=59.16, tgt=, overall=59.16, Lipid ID=LMPK05000003, KEGG ID=C01848, METLIN ID=40965 ]" "(754.3051, 1291.1686)(755.31036, 584.58575)" Rifamycin B FindByFormula - C01848 LMPK05000003 755.3121 6.816428 Rifamycin W-hemiacetal "Rifamycin W-hemiacetal [ C35 H43 N O11, db=37.87, tgt=, overall=37.87, CAS ID=, KEGG ID=C14722, METLIN ID=63723 ]" "(654.2918, 7263.1543)(655.29285, 2700.6025)(656.28436, 2120.4915)(657.2827, 852.07007)(658.281, 1145.54)" Rifamycin W-hemiacetal FindByFormula + C14722 653.2849 14.792133 Rifamycin W-hemiacetal + 14.757667 "Rifamycin W-hemiacetal [ C35 H43 N O11, db=62.64, tgt=, overall=62.64, CAS ID=, KEGG ID=C14722, METLIN ID=63723 ]" "(654.2924, 7840.52)(655.29297, 3076.0798)(656.2838, 1925.7)" Rifamycin W-hemiacetal + 14.757667 FindByFormula + C14722 653.2848 14.757667 Risperidone "Risperidone [ C23 H27 F N4 O2, db=69.85, tgt=, overall=69.85, CAS ID=106266-06-2, KEGG ID=D00426, HMP ID=HMDB05020, METLIN ID=2348 ]" 106266-06-2 "(409.2042, 1550.8611)(410.20526, 530.391)" Risperidone FindByFormula HMDB05020 - D00426 410.2082 24.212498 Risperidone + 7.229 "Risperidone [ C23 H27 F N4 O2, db=47.60, tgt=, overall=47.60, CAS ID=106266-06-2, KEGG ID=D00426, HMP ID=HMDB05020, METLIN ID=2348 ]" 106266-06-2 "(411.22598, 853.08)(412.22705, 352.98666)(413.2351, 26.46)(433.2011, 1233.96)" Risperidone + 7.229 FindByFormula HMDB05020 + D00426 410.217 7.229 Ro 31-8220 "Ro 31-8220 [ C25 H23 N5 O2 S, db=66.14, tgt=, overall=66.14, CAS ID=138489-18-6, METLIN ID=45540 ]" 138489-18-6 "(458.16562, 1455.1632)(459.16675, 484.71)(480.14, 264.6)" Ro 31-8220 FindByFormula + 457.156 12.841666 Ro 31-8220 + 12.2365 "Ro 31-8220 [ C25 H23 N5 O2 S, db=57.34, tgt=, overall=57.34, CAS ID=138489-18-6, METLIN ID=45540 ]" 138489-18-6 "(458.16553, 1031.8201)(459.1656, 447.92502)" Ro 31-8220 + 12.2365 FindByFormula + 457.1566 12.2365 Rodiasine "Rodiasine [ C38 H42 N2 O6, db=64.61, tgt=, overall=64.61, CAS ID=6391-64-6, KEGG ID=C09624, METLIN ID=67851 ]" 6391-64-6 "(621.3, 3174.605)(622.30334, 952.97)(623.3043, 623.56)" Rodiasine FindByFormula - C09624 622.3054 16.517 Rutamarin "Rutamarin [ C21 H24 O5, db=89.84, tgt=, overall=89.84, CAS ID=13164-05-1, Lipid ID=, KEGG ID=C09308, HMP ID=HMDB30666, METLIN ID=67592, AGILENTID=29291 ]" 13164-05-1 "(379.15195, 2131.146)(380.15393, 617.842)(381.1517, 56.77)" Rutamarin FindByFormula HMDB30666 + C09308 378.1417 12.8308 S-(5-Hydroxy-2-furoyl)-CoA "S-(5-Hydroxy-2-furoyl)-CoA [ C26 H38 N7 O19 P3 S, db=32.96, tgt=, overall=32.96, KEGG ID=C03724, METLIN ID=66031 ]" "(878.1194, 790.99)(879.1178, 554.935)" S-(5-Hydroxy-2-furoyl)-CoA FindByFormula + C03724 877.1121 7.4095 S-(Hydroxymethyl)mycothiol "S-(Hydroxymethyl)mycothiol [ C18 H32 N2 O13 S, db=68.88, tgt=, overall=68.88, KEGG ID=C18235, METLIN ID=72081 ]" "(539.15094, 1292.345)(540.155, 224.06)" S-(Hydroxymethyl)mycothiol FindByFormula + C18235 538.1434 15.386 S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine "S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine [ C11 H14 N2 O4 S, db=90.22, tgt=, overall=90.22, CAS ID=, KEGG ID=C17238, METLIN ID=64525 ]" "(271.07416, 1475.845)(293.0568, 6082.62)(294.0582, 1030.86)(295.05115, 200.94)" S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine FindByFormula + C17238 270.0675 1.9915 S-(Indolylmethylthiohydroximoyl)-L-cysteine "S-(Indolylmethylthiohydroximoyl)-L-cysteine [ C13 H15 N3 O3 S, db=64.97, tgt=, overall=64.97, CAS ID=, KEGG ID=C16518, METLIN ID=63563 ]" "(294.09128, 2858.5369)(295.092, 494.76)(296.08798, 1079.3534)" S-(Indolylmethylthiohydroximoyl)-L-cysteine FindByFormula + C16518 293.0834 9.752999 Saccharin "Saccharin [ C7 H5 N O3 S, db=93.51, tgt=, overall=93.51, CAS ID=81-07-2, KEGG ID=C12283, METLIN ID=43328 ]" 81-07-2 "(181.99232, 6104.1)(182.99504, 677.73334)(183.99011, 542.925)" Saccharin FindByFormula - C12283 182.9996 4.038 Saccharocin "Saccharocin [ C21 H40 N4 O12, db=0.00, tgt=, overall=0.00, CAS ID=86630-31-1, KEGG ID=C17998, METLIN ID=71994 ]" 86630-31-1 "(541.2694, 895.85004)(541.76874, 612.22)" Saccharocin FindByFormula + C17998 1080.522 7.1555 SAH / S-Adenosyl-L-homocysteine "SAH / S-Adenosyl-L-homocysteine [ C14 H20 N6 O5 S, db=92.77, tgt=, overall=92.77, CAS ID=979-92-0, Lipid ID=, KEGG ID=C00021, HMP ID=HMDB00939, METLIN ID=296, AGILENTID=29656 ]" 979-92-0 "(385.1303, 22586.652)(386.13104, 4572.9346)(387.12805, 1745.3708)(388.12872, 518.0329)(423.08554, 2017.502)(424.0878, 818.584)(407.11182, 2845.1125)(408.1115, 783.45996)(409.1047, 315.15665)" SAH / S-Adenosyl-L-homocysteine FindByFormula HMDB00939 + C00021 384.123 1.0582 SAH / S-Adenosyl-L-homocysteine + 1.0473334 "SAH / S-Adenosyl-L-homocysteine [ C14 H20 N6 O5 S, db=86.09, tgt=, overall=86.09, CAS ID=979-92-0, Lipid ID=, KEGG ID=C00021, HMP ID=HMDB00939, METLIN ID=296, AGILENTID=29656 ]" 979-92-0 "(407.11124, 7242.7734)(408.11182, 1468.4199)(409.10825, 976.67334)(445.0642, 230.65)" SAH / S-Adenosyl-L-homocysteine + 1.0473334 FindByFormula HMDB00939 + C00021 406.1043 1.0473334 Sanggenon C "Sanggenon C [ C40 H36 O12, db=93.28, tgt=, overall=93.28, CAS ID=80651-76-9, KEGG ID=C09834, METLIN ID=67958 ]" 80651-76-9 "(731.2115, 2457.175)(732.2145, 1012.4121)(733.2147, 338.89923)" Sanggenon C FindByFormula + C09834 730.2045 25.973269 Sanggenon C + 25.963001 "Sanggenon C [ C40 H36 O12, db=87.48, tgt=, overall=87.48, CAS ID=80651-76-9, KEGG ID=C09834, METLIN ID=67958 ]" 80651-76-9 "(731.2112, 2758.7354)(732.21387, 1097.5515)(733.2039, 241.1)" Sanggenon C + 25.963001 FindByFormula + C09834 730.2032 25.963001 Sarsaparilloside "Sarsaparilloside [ C57 H96 O28, db=81.90, tgt=, overall=81.90, CAS ID=24333-07-1, KEGG ID=C08911, METLIN ID=67264 ]" 24333-07-1 "(613.3018, 775.89)(613.798, 655.09)(1227.6, 1435.465)(1228.607, 954.22003)(1229.5994, 428.35)" Sarsaparilloside FindByFormula - C08911 1228.6102 9.163 SB 206553 "SB 206553 [ C17 H16 N4 O, db=81.66, tgt=, overall=81.66, KEGG ID=C11740, METLIN ID=69189 ]" "(291.12564, 4864.21)(292.12805, 755.595)" SB 206553 FindByFormula - C11740 292.1322 8.4585 Scarlet Red "Scarlet Red [ C24 H20 N4 O, db=78.58, tgt=, overall=78.58, CAS ID=85-83-6, KEGG ID=C19520, METLIN ID=73202 ]" 85-83-6 "(379.15567, 2326.6323)(380.15787, 703.5662)" Scarlet Red FindByFormula - C19520 380.1633 20.791 Scarlet Red - 20.820126 "Scarlet Red [ C24 H20 N4 O, db=78.81, tgt=, overall=78.81, CAS ID=85-83-6, KEGG ID=C19520, METLIN ID=73202 ]" 85-83-6 "(379.1556, 2468.8462)(380.15787, 737.28375)" Scarlet Red - 20.820126 FindByFormula - C19520 380.163 20.820126 Schizonepetoside C "Schizonepetoside C [ C16 H26 O7, db=80.28, tgt=, overall=80.28, KEGG ID=C17636, METLIN ID=71833 ]" "(353.1574, 4823.905)(354.16058, 1064.995)" Schizonepetoside C FindByFormula + C17636 352.1469 11.7215 Schizonepetoside E "Schizonepetoside E [ C16 H28 O8, db=91.04, tgt=, overall=91.04, KEGG ID=C17638, METLIN ID=71835 ]" "(349.18454, 27058.852)(350.19092, 4593.374)(351.1932, 1039.1659)" Schizonepetoside E FindByFormula + C17638 348.1767 7.2130837 Scopoline "Scopoline [ C8 H13 N O2, db=79.89, tgt=, overall=79.89, CAS ID=, KEGG ID=C10866, METLIN ID=43998 ]" "(156.10216, 9602.604)(157.10283, 993.4766)" Scopoline FindByFormula + C10866 155.0949 2.385 Scyphostatin A "Scyphostatin A [ C31 H45 N O5, mfg=88.70, db=88.61, tgt=, overall=88.66, Lipid ID=LMSP01080060, METLIN ID=53960 ]" "(512.3335, 6748.46)(513.3369, 2003.5651)(514.3369, 919.5)(534.3174, 9268.22)(535.322, 2632.42)(536.3256, 774.88)" Scyphostatin A FindByFormula + LMSP01080060 511.3283 10.663 Secologanate "Secologanate [ C16 H22 O10, db=61.53, tgt=, overall=61.53, CAS ID=, KEGG ID=C01957, METLIN ID=64048 ]" "(793.2064, 947.03204)(831.1759, 342.074)(832.1736, 532.16)(815.204, 494.33426)(397.1121, 5371.612)(398.1177, 1302.9299)" Secologanate FindByFormula + C01957 396.1041 1.9439566 Ser-Gly-OH "Ser-Gly-OH [ C11 H12 N2 O7, db=79.92, tgt=, overall=79.92, METLIN ID=65063 ]" "(285.0718, 2021.2367)(286.07394, 350.08)(307.05154, 731.00665)" Ser-Gly-OH FindByFormula + 284.064 10.498666 Serotonin "Serotonin [ C10 H12 N2 O, db=67.98, tgt=, overall=67.98, CAS ID=50-67-9, KEGG ID=C00780, HMP ID=HMDB00259, METLIN ID=74 ]" 50-67-9 "(177.10306, 2979.8176)(178.10175, 545.5125)" Serotonin FindByFormula HMDB00259 + C00780 176.0947 1.6322501 Ser-Phe-OH "Ser-Phe-OH [ C18 H18 N2 O7, db=29.54, tgt=, overall=29.54, METLIN ID=65017 ]" "(749.23, 1000.59)(375.11707, 1629.685)(376.11652, 563.86)(377.1163, 551.89)" Ser-Phe-OH FindByFormula + 374.1071 1.9530001 Serratine "Serratine [ C16 H25 N O3, db=76.97, tgt=, overall=76.97, CAS ID=15252-93-4, KEGG ID=C09901, METLIN ID=67996 ]" 15252-93-4 "(641.2911, 305.27502)(302.1727, 7321.654)(303.17313, 1513.1666)(324.1565, 2764.29)(325.1576, 729.51)" Serratine FindByFormula + C09901 301.1648 1.8253332 Sertraline "Sertraline [ C17 H17 Cl2 N, db=47.07, tgt=, overall=47.07, CAS ID=79617-96-2, KEGG ID=C07246, HMP ID=HMDB05010, METLIN ID=2417 ]" 79617-96-2 "(567.1834, 365.95334)(605.45233, 704.64386)(606.47595, 196.95166)(607.1569, 309.25)(589.1686, 3445.5625)(590.1661, 1428.9114)(591.15955, 563.22284)(284.09985, 9053.684)(285.1023, 1475.0682)(286.0923, 744.605)(322.05612, 21147.31)(323.058, 2304.3762)(324.05472, 1603.8689)(325.06235, 351.75143)(306.08148, 37894.69)" Sertraline FindByFormula HMDB05010 + C07246 283.0929 1.2492918 Simonin III "Simonin III [ C63 H110 O24, db=86.96, tgt=, overall=86.96, CAS ID=151310-52-0, HMP ID=HMDB29976, METLIN ID=86633 ]" 151310-52-0 "(637.3663, 2609.558)(637.8722, 1780.6539)(638.36633, 739.766)(1273.7335, 219255.3)(1274.7346, 141368.1)(1275.7384, 58204.71)(1276.737, 18083.395)(1277.7428, 7993.15)(656.35046, 3306.536)(656.85565, 2276.38)(657.35223, 1729.5499)(657.8507, 244.57)(648.3642, 29808.438)(648.8647, 19449.623)(649.3612, 8191.272)(649.866, 3688.5884)(650.36523, 1119.6167)(1311.6785, 130.43001)(1312.7109, 135.18)" Simonin III FindByFormula HMDB29976 + 1272.7294 8.8955 Simonin III + 24.243998 "Simonin III [ C63 H110 O24, db=85.56, tgt=, overall=85.56, CAS ID=151310-52-0, HMP ID=HMDB29976, METLIN ID=86633 ]" 151310-52-0 "(1251.7482, 4187.46)(1252.7496, 3471.5332)(1253.7596, 1575.3334)(1254.7719, 443.86)" Simonin III + 24.243998 FindByFormula HMDB29976 + 1250.7368 24.243998 Simonin V "Simonin V [ C66 H116 O24, db=3.71, tgt=, overall=3.71, CAS ID=151310-54-2, HMP ID=HMDB29974, METLIN ID=86631 ]" 151310-54-2 "(1293.7871, 2116.48)(1294.3054, 3052.37)(1294.7996, 2614.895)(1295.3159, 1654.99)" Simonin V FindByFormula HMDB29974 + 2585.5796 13.6815 Sinapoyl aldehyde "Sinapoyl aldehyde [ C11 H12 O4, db=78.83, tgt=, overall=78.83, CAS ID=4206-58-0, KEGG ID=C05610, METLIN ID=44806 ]" 4206-58-0 "(207.0672, 4693.04)(208.0701, 757.9)" Sinapoyl aldehyde FindByFormula - C05610 208.0739 7.7255 sn-3-O-(geranylgeranyl)glycerol 1-phosphate "sn-3-O-(geranylgeranyl)glycerol 1-phosphate [ C23 H41 O6 P, db=69.69, tgt=, overall=69.69, Lipid ID=LMGP10060002, KEGG ID=C04590, METLIN ID=46751 ]" "(443.25488, 1866.4565)(444.25656, 455.42667)" sn-3-O-(geranylgeranyl)glycerol 1-phosphate FindByFormula - C04590 LMGP10060002 444.2598 8.804667 sn-3-O-(geranylgeranyl)glycerol 1-phosphate + 20.337332 "sn-3-O-(geranylgeranyl)glycerol 1-phosphate [ C23 H41 O6 P, db=69.39, tgt=, overall=69.39, Lipid ID=LMGP10060002, KEGG ID=C04590, METLIN ID=46751 ]" "(467.25308, 861.0366)(468.25717, 308.55667)" sn-3-O-(geranylgeranyl)glycerol 1-phosphate + 20.337332 FindByFormula + C04590 LMGP10060002 466.2451 20.337332 Solamargine "Solamargine [ C45 H73 N O15, db=88.40, tgt=, overall=88.40, CAS ID=20311-51-7, KEGG ID=C10819, METLIN ID=68605 ]" 20311-51-7 "(868.5045, 11059.186)(869.506, 5077.99)(870.50665, 1958.34)" Solamargine FindByFormula + C10819 867.497 8.8575 Sorbitan oleate "Sorbitan oleate [ C24 H44 O6, db=80.18, tgt=, overall=80.18, CAS ID=1338-43-8, HMP ID=HMDB29886, METLIN ID=86565 ]" 1338-43-8 "(429.31958, 3409.5186)(430.3234, 896.4616)(431.31656, 262.82498)" Sorbitan oleate FindByFormula HMDB29886 + 428.3125 17.901499 Soyacerebroside I "Soyacerebroside I [ C40 H75 N O9, db=88.89, tgt=, overall=88.89, CAS ID=114297-20-0, HMP ID=HMDB32677, METLIN ID=88616 ]" 114297-20-0 "(736.5311, 2914.9302)(737.53644, 1363.84)(738.54333, 368.74)" Soyacerebroside I FindByFormula HMDB32677 + 735.5265 25.625002 Spectinomycin adenylate "Spectinomycin adenylate [ C24 H36 N7 O13 P, db=54.04, tgt=, overall=54.04, CAS ID=27544-31-6, KEGG ID=C03580, METLIN ID=2477 ]" 27544-31-6 "(684.20245, 827.8133)(685.2021, 420.18665)" Spectinomycin adenylate FindByFormula + C03580 683.193 23.892668 Spectinomycin adenylate + 24.897858 "Spectinomycin adenylate [ C24 H36 N7 O13 P, db=57.45, tgt=, overall=57.45, CAS ID=27544-31-6, KEGG ID=C03580, METLIN ID=2477 ]" 27544-31-6 "(684.2015, 852.73004)(685.2025, 469.47287)" Spectinomycin adenylate + 24.897858 FindByFormula + C03580 683.1957 24.897858 Spermidine "Spermidine [ C7 H19 N3, db=93.79, tgt=, overall=93.79, CAS ID=124-20-9, KEGG ID=C00315, HMP ID=HMDB01257, METLIN ID=254 ]" 124-20-9 "(146.16566, 38948.617)(147.16739, 4761.1943)(148.16615, 189.21667)(168.1436, 329.6)" Spermidine FindByFormula HMDB01257 + C00315 145.1582 0.7546 Spermidine + 0.7650625 "Spermidine [ C7 H19 N3, db=94.44, tgt=, overall=94.44, CAS ID=124-20-9, KEGG ID=C00315, HMP ID=HMDB01257, METLIN ID=254 ]" 124-20-9 "(146.16571, 36841.715)(147.16771, 4472.5493)(148.1702, 240.15)(168.14604, 421.7025)" Spermidine + 0.7650625 FindByFormula HMDB01257 + C00315 145.1586 0.7650625 Spermine "Spermine [ C10 H26 N4, db=97.31, tgt=, overall=97.31, CAS ID=71-44-3, Lipid ID=, KEGG ID=C00750, HMP ID=HMDB01256 , METLIN ID=255, AGILENTID=29509 ]" 71-44-3 "(203.22292, 57578.6)(204.22461, 7924.63)(205.2237, 527.18164)(225.20251, 510.8375)" Spermine FindByFormula HMDB01256 + C00750 202.215 1.1913638 Sphinganine "Sphinganine [ C18 H39 N O2, db=98.59, tgt=, overall=98.59, CAS ID=764-22-7, Lipid ID=LMSP01020001, KEGG ID=C00836, HMP ID=HMDB00269, METLIN ID=395, AGILENTID=29685 ]" 764-22-7 "(302.30496, 25636.8)(303.30817, 5509.019)(304.30875, 731.32)" Sphinganine FindByFormula HMDB00269 + C00836 LMSP01020001 301.2957 12.292999 Sphinganine + 12.285999 "Sphinganine [ C18 H39 N O2, db=99.06, tgt=, overall=99.06, CAS ID=764-22-7, Lipid ID=LMSP01020001, KEGG ID=C00836, HMP ID=HMDB00269, METLIN ID=395, AGILENTID=29685 ]" 764-22-7 "(302.30533, 28902.996)(303.3085, 6265.2803)(304.30878, 851.875)(324.2849, 915.26)" Sphinganine + 12.285999 FindByFormula HMDB00269 + C00836 LMSP01020001 301.2994 12.285999 Sphinganine + 12.2912 "Sphinganine [ C18 H39 N O2, db=98.58, tgt=, overall=98.58, CAS ID=764-22-7, Lipid ID=LMSP01020001, KEGG ID=C00836, HMP ID=HMDB00269, METLIN ID=395, AGILENTID=29685 ]" 764-22-7 "(302.30493, 25955.125)(303.30817, 5599.315)(304.30902, 729.7171)(324.28696, 593.645)" Sphinganine + 12.2912 FindByFormula HMDB00269 + C00836 LMSP01020001 301.2983 12.2912 Sphinganine + 13.134 "Sphinganine [ C18 H39 N O2, db=95.17, tgt=, overall=95.17, CAS ID=764-22-7, Lipid ID=LMSP01020001, KEGG ID=C00836, HMP ID=HMDB00269, METLIN ID=395, AGILENTID=29685 ]" 764-22-7 "(302.30508, 3678.0579)(303.3068, 782.906)(304.30978, 125.435)" Sphinganine + 13.134 FindByFormula HMDB00269 + C00836 LMSP01020001 301.2973 13.134 Spinacoside D "Spinacoside D [ C40 H60 O14, db=57.18, tgt=, overall=57.18, CAS ID=182322-58-3, HMP ID=HMDB34871, METLIN ID=90259 ]" 182322-58-3 "(383.2048, 3174.08)(383.7084, 1277.51)(384.1961, 557.38)(765.3979, 2316.4)(766.40234, 914.125)(767.4086, 51.725)(804.3443, 267.61)(787.3921, 1603.24)(788.3884, 1114.52)(789.4024, 205.44)" Spinacoside D FindByFormula HMDB34871 + 764.3978 1.511 Spiramycin 3 "Spiramycin 3 [ C46 H78 N2 O15, db=69.69, tgt=, overall=69.69, CAS ID=24916-52-7, KEGG ID=C18844, METLIN ID=2480 ]" 24916-52-7 "(472.26154, 5830.96)(472.76126, 3025.8699)(473.27094, 1060.37)" Spiramycin 3 FindByFormula + C18844 942.5072 8.5675 Spiramycin 3 - 7.8391433 "Spiramycin 3 [ C46 H78 N2 O15, db=63.22, tgt=, overall=63.22, CAS ID=24916-52-7, KEGG ID=C18844, METLIN ID=2480 ]" 24916-52-7 "(897.5288, 2784.2583)(898.52985, 1422.8885)(899.5247, 480.05145)" Spiramycin 3 - 7.8391433 FindByFormula - C18844 898.5426 7.8391433 Spirapril "Spirapril [ C22 H30 N2 O5 S2, db=54.32, tgt=, overall=54.32, CAS ID=83647-97-6, KEGG ID=D08529, HMP ID=HMDB15438, METLIN ID=85501 ]" 83647-97-6 "(489.14673, 2745.2102)(490.1525, 799.7867)" Spirapril FindByFormula HMDB15438 + D08529 488.1411 15.701 Spirilloxanthin "Spirilloxanthin [ C42 H60 O2, db=45.57, tgt=, overall=45.57, Lipid ID=LMPR01070122, KEGG ID=C15881, METLIN ID=41379 ]" "(597.46906, 7948.6846)(598.4774, 393.65)" Spirilloxanthin FindByFormula + C15881 LMPR01070122 596.4615 6.896 "SQDG(22:5(5Z,8Z,11Z,14Z,17Z)/16:1(13Z))" "SQDG(22:5(5Z,8Z,11Z,14Z,17Z)/16:1(13Z)) [ C45 H76 O12 S, db=59.88, tgt=, overall=59.88, Lipid ID=LMGL05010009, METLIN ID=46645 ]" "(863.4964, 7022.34)(864.4953, 1216.23)(865.4928, 1131.645)" "SQDG(22:5(5Z,8Z,11Z,14Z,17Z)/16:1(13Z))" FindByFormula + LMGL05010009 862.4868 9.725 "SQDG(22:5(5Z,8Z,11Z,14Z,17Z)/16:1(13Z)) + 6.5734997" "SQDG(22:5(5Z,8Z,11Z,14Z,17Z)/16:1(13Z)) [ C45 H76 O12 S, db=53.72, tgt=, overall=53.72, Lipid ID=LMGL05010009, METLIN ID=46645 ]" "(443.2403, 8255.766)(443.7384, 4063.365)(444.242, 2453.665)(885.45715, 5306.3)(886.458, 2930.5)(887.4592, 2995.73)(888.4412, 1117.29)(923.4192, 856.49)(907.4486, 4568.54)(908.4538, 2816.89)(909.4507, 1816.24)(910.4568, 282.83)" "SQDG(22:5(5Z,8Z,11Z,14Z,17Z)/16:1(13Z)) + 6.5734997" FindByFormula + LMGL05010009 884.4541 6.5734997 SQMG(16:1(13Z)/0:0) "SQMG(16:1(13Z)/0:0) [ C25 H46 O11 S, db=61.68, tgt=, overall=61.68, CAS ID=199173-73-4, Lipid ID=LMGL04010004, METLIN ID=46634 ]" 199173-73-4 "(553.2679, 1461.6349)(554.2715, 566.645)" SQMG(16:1(13Z)/0:0) FindByFormula - LMGL04010004 554.2741 24.03475 Stearamide "Stearamide [ C18 H37 N O, db=76.61, tgt=, overall=76.61, CAS ID=124-26-5, Lipid ID=LMFA08010003, KEGG ID=C13846, METLIN ID=34494 ]" 124-26-5 "(284.29443, 1867.0631)(285.29855, 504.95337)" Stearamide FindByFormula + C13846 LMFA08010003 283.2853 22.403 Stearoyl Serotonin "Stearoyl Serotonin [ C28 H46 N2 O2, db=74.83, tgt=, overall=74.83, CAS ID=67964-87-8, METLIN ID=62950 ]" 67964-87-8 "(465.34338, 2599.575)(466.34683, 794.82)(487.327, 2153.9568)(488.32593, 664.17334)" Stearoyl Serotonin FindByFormula + 464.3388 11.1605 Stigmatellin Y "Stigmatellin Y [ C29 H40 O6, db=98.66, tgt=, overall=98.66, KEGG ID=C12150, METLIN ID=69325 ]" "(507.27228, 23441.207)(508.27557, 7705.7373)(509.27597, 1451.8138)(510.2733, 343.72998)" Stigmatellin Y FindByFormula + C12150 506.263 19.016 Strigolactone ABC-rings "Strigolactone ABC-rings [ C14 H18 O3, db=84.62, tgt=, overall=84.62, CAS ID=, KEGG ID=C18036, METLIN ID=64132 ]" "(233.11775, 1999.3357)(234.12117, 342.63715)" Strigolactone ABC-rings FindByFormula - C18036 234.1253 10.602858 Strigolactone ABC-rings - 10.6895 "Strigolactone ABC-rings [ C14 H18 O3, db=83.26, tgt=, overall=83.26, CAS ID=, KEGG ID=C18036, METLIN ID=64132 ]" "(233.1175, 794.745)(234.12094, 105.83)" Strigolactone ABC-rings - 10.6895 FindByFormula - C18036 234.1243 10.6895 Strigolactone ABC-rings - 11.910999 "Strigolactone ABC-rings [ C14 H18 O3, db=81.38, tgt=, overall=81.38, CAS ID=, KEGG ID=C18036, METLIN ID=64132 ]" "(233.1173, 958.595)(234.12024, 157.605)" Strigolactone ABC-rings - 11.910999 FindByFormula - C18036 234.1261 11.910999 Strigolactone ABC-rings - 11.9356 "Strigolactone ABC-rings [ C14 H18 O3, db=84.53, tgt=, overall=84.53, CAS ID=, KEGG ID=C18036, METLIN ID=64132 ]" "(233.11775, 2688.6138)(234.12114, 462.57803)" Strigolactone ABC-rings - 11.9356 FindByFormula - C18036 234.1253 11.9356 Strophanthidin semicarbazide "Strophanthidin semicarbazide [ C24 H35 N3 O6, db=66.72, tgt=, overall=66.72, CAS ID=32161-86-7, METLIN ID=44254 ]" 32161-86-7 "(440.2773, 1279.5734)(462.25864, 1430.6234)(463.26, 482.31003)" Strophanthidin semicarbazide FindByFormula + 439.2698 13.4539995 Styrene "Styrene [ C8 H8, db=88.55, tgt=, overall=88.55, CAS ID=100-42-5, KEGG ID=C07083, METLIN ID=66571 ]" 100-42-5 "(105.0701, 9255.738)(106.073456, 1419.642)(107.0741, 159.06)" Styrene FindByFormula + C07083 104.0633 11.837363 Styrene + 11.273 "Styrene [ C8 H8, db=70.75, tgt=, overall=70.75, CAS ID=100-42-5, KEGG ID=C07083, METLIN ID=66571 ]" 100-42-5 "(105.069855, 2750.755)(106.07395, 477.865)" Styrene + 11.273 FindByFormula + C07083 104.0625 11.273 Styrene + 11.83675 "Styrene [ C8 H8, db=76.12, tgt=, overall=76.12, CAS ID=100-42-5, KEGG ID=C07083, METLIN ID=66571 ]" 100-42-5 "(105.07005, 9763.087)(106.07354, 1518.3477)" Styrene + 11.83675 FindByFormula + C07083 104.0626 11.83675 Sucrose acetate isobutyrate "Sucrose acetate isobutyrate [ C40 H62 O19, db=60.59, tgt=, overall=60.59, CAS ID=126-13-6, HMP ID=HMDB37136, METLIN ID=92105 ]" 126-13-6 "(424.20123, 1753.915)(424.702, 906.435)" Sucrose acetate isobutyrate FindByFormula HMDB37136 + 846.3869 2.8439999 Sudan III "Sudan III [ C22 H16 N4 O, db=89.74, tgt=, overall=89.74, CAS ID=85-86-9, KEGG ID=C19527, METLIN ID=73206 ]" 85-86-9 "(743.22046, 1169.3771)(744.22186, 680.6612)(745.2238, 517.94934)(728.5947, 654.41)(728.7474, 157.96834)(729.2356, 518.5333)(353.1365, 1110.5383)(354.13687, 285.1955)(355.13315, 475.68002)(391.09476, 9819.05)(392.09772, 2324.0137)(393.09937, 493.55963)(375.11755, 1625.98)(376.11633, 530.5437)(377.11566, 301.24387)" Sudan III FindByFormula + C19527 352.1295 1.9381483 Sulindac sulfide glucuronide "Sulindac sulfide glucuronide [ C26 H25 F O8 S, db=62.88, tgt=, overall=62.88, CAS ID=59973-78-3, METLIN ID=2607 ]" 59973-78-3 "(539.1146, 2280.5093)(540.1147, 940.46906)(541.11176, 600.7001)(561.1025, 1673.139)(562.10333, 493.20126)" Sulindac sulfide glucuronide FindByFormula + 538.1089 11.840909 Sulindac sulfide glucuronide + 12.3792 "Sulindac sulfide glucuronide [ C26 H25 F O8 S, db=66.17, tgt=, overall=66.17, CAS ID=59973-78-3, METLIN ID=2607 ]" 59973-78-3 "(539.116, 1074.484)(540.11926, 451.05402)(541.10895, 317.49)(561.1026, 638.42)(562.09845, 202.84)" Sulindac sulfide glucuronide + 12.3792 FindByFormula + 538.109 12.3792 Taprostene "Taprostene [ C24 H30 O5, db=85.11, tgt=, overall=85.11, CAS ID=87440-45-7, METLIN ID=63113 ]" 87440-45-7 "(397.20337, 3408.8884)(398.20645, 798.9899)(399.1994, 246.24573)" Taprostene FindByFormula - 398.2121 11.055572 Taprostene - 11.04375 "Taprostene [ C24 H30 O5, db=86.65, tgt=, overall=86.65, CAS ID=87440-45-7, METLIN ID=63113 ]" 87440-45-7 "(397.2031, 3891.4785)(398.20612, 928.84247)(399.20004, 281.01752)" Taprostene - 11.04375 FindByFormula - 398.211 11.04375 Taurallocholic acid "Taurallocholic acid [ C26 H45 N O7 S, db=89.08, tgt=, overall=89.08, CAS ID=59005-70-8, HMP ID=HMDB00922, METLIN ID=5875 ]" 59005-70-8 "(514.2826, 1256.7)(515.2854, 411.1525)(516.28986, 135.205)(517.2975, 48.91)" Taurallocholic acid FindByFormula HMDB00922 - 515.2946 10.024 Taurochenodeoxycholic acid 3-sulfate "Taurochenodeoxycholic acid 3-sulfate [ C26 H45 N O8 S2, db=76.16, tgt=, overall=76.16, Lipid ID=LMST05020029, METLIN ID=57980 ]" "(282.6371, 1686.915)(283.13892, 781.87)(283.63483, 435.65997)(564.2624, 845.27)(565.2609, 175.65001)(566.2637, 445.58)" Taurochenodeoxycholic acid 3-sulfate FindByFormula + LMST05020029 563.255 27.13575 Tazobactam "Tazobactam [ C10 H12 N4 O5 S, db=85.63, tgt=, overall=85.63, CAS ID=89786-04-9, KEGG ID=C07771, HMP ID=HMDB15544, METLIN ID=581 ]" 89786-04-9 "(323.04108, 3662.5776)(324.04553, 607.8275)(325.03802, 401.86002)(360.99573, 1569.33)(361.9886, 46.045)(345.02145, 2708.5552)(346.0308, 408.0175)(347.01883, 491.76)" Tazobactam FindByFormula HMDB15544 + C07771 322.0337 1.5525 Tazobactam + 8.475333 "Tazobactam [ C10 H12 N4 O5 S, db=72.69, tgt=, overall=72.69, CAS ID=89786-04-9, KEGG ID=C07771, HMP ID=HMDB15544, METLIN ID=581 ]" 89786-04-9 "(301.06018, 3920.5469)(302.06137, 626.86334)" Tazobactam + 8.475333 FindByFormula HMDB15544 + C07771 300.0517 8.475333 Telithromycin "Telithromycin [ C43 H65 N5 O10, db=56.41, tgt=, overall=56.41, CAS ID=191114-48-4, KEGG ID=C12009, METLIN ID=43887 ]" 191114-48-4 "(810.46313, 1651.7767)(811.4656, 828.43)" Telithromycin FindByFormula - C12009 811.4695 8.194 Telmisartan "Telmisartan [ C33 H30 N4 O2, db=92.35, tgt=, overall=92.35, CAS ID=144701-48-4, KEGG ID=C07710, HMP ID=HMDB15101, METLIN ID=44651 ]" 144701-48-4 "(513.2277, 10121.75)(514.231, 3962.1934)(515.2365, 781.4567)" Telmisartan FindByFormula HMDB15101 - C07710 514.2378 10 Telmisartan + 10.01075 "Telmisartan [ C33 H30 N4 O2, db=98.21, tgt=, overall=98.21, CAS ID=144701-48-4, KEGG ID=C07710, HMP ID=HMDB15101, METLIN ID=44651 ]" 144701-48-4 "(258.1272, 3925.125)(258.62796, 1430.4701)(259.13184, 184.565)(515.24335, 164653.5)(516.24646, 65092.336)(517.24963, 13073.218)(518.24963, 1854.9375)(519.2423, 124.99)(553.19934, 1897.1832)(554.19806, 538.73334)(537.2246, 24082.496)(538.2295, 9606.811)(539.2342, 1906.5825)(540.237, 641.51)" Telmisartan + 10.01075 FindByFormula HMDB15101 + C07710 514.2388 10.01075 Telmisartan + 10.0125 "Telmisartan [ C33 H30 N4 O2, db=73.34, tgt=, overall=73.34, CAS ID=144701-48-4, KEGG ID=C07710, HMP ID=HMDB15101, METLIN ID=44651 ]" 144701-48-4 "(537.22516, 29664.91)(538.22876, 12067.125)(258.12714, 3659.12)" Telmisartan + 10.0125 FindByFormula HMDB15101 + C07710 257.1185 10.0125 Testosterone sulfate "Testosterone sulfate [ C19 H28 O5 S, db=89.08, tgt=, overall=89.08, CAS ID=651-45-6, Lipid ID=LMST05020032, HMP ID=HMDB02833, METLIN ID=3558 ]" 651-45-6 "(391.1539, 4393.5405)(392.15668, 1229.22)(393.1549, 416.6975)" Testosterone sulfate FindByFormula HMDB02833 + LMST05020032 390.1463 14.83685 Testosterone sulfate - 10.783335 "Testosterone sulfate [ C19 H28 O5 S, db=91.44, tgt=, overall=91.44, CAS ID=651-45-6, Lipid ID=LMST05020032, HMP ID=HMDB02833, METLIN ID=3558 ]" 651-45-6 "(367.15762, 6764.8755)(368.16055, 1499.0508)(369.16013, 215.82416)" Testosterone sulfate - 10.783335 FindByFormula HMDB02833 - LMST05020032 368.1649 10.783335 Tetracenomycin C "Tetracenomycin C [ C23 H20 O11, db=86.80, tgt=, overall=86.80, CAS ID=71135-22-3, KEGG ID=C06801, METLIN ID=63815 ]" 71135-22-3 "(473.10803, 4883.437)(474.1083, 1287.7767)(475.1156, 513.67)" Tetracenomycin C FindByFormula + C06801 472.1 6.7846665 Tetradecyl sulfate "Tetradecyl sulfate [ C14 H30 O4 S, db=67.39, tgt=, overall=67.39, CAS ID=139-88-8, KEGG ID=D06882, METLIN ID=2469 ]" 139-88-8 "(295.19455, 2790.8499)(296.19327, 408.83667)" Tetradecyl sulfate FindByFormula + D06882 294.1863 14.632333 Tetrahydrogeranylgeranyl diphosphate "Tetrahydrogeranylgeranyl diphosphate [ C20 H40 O7 P2, db=75.64, tgt=, overall=75.64, KEGG ID=C17440, METLIN ID=71691 ]" "(433.244, 4271.2646)(434.2436, 1350.1699)(435.2442, 533.29)(455.2313, 10718.47)(456.2375, 2726.26)" Tetrahydrogeranylgeranyl diphosphate FindByFormula + C17440 432.2371 8.3785 Tetronasin "Tetronasin [ C35 H54 O8, db=93.72, tgt=, overall=93.72, CAS ID=75139-06-9, HMP ID=HMDB33494, METLIN ID=89311 ]" 75139-06-9 "(625.37115, 6350.532)(626.374, 2495.738)(627.38257, 657.258)(628.3817, 195.13127)" Tetronasin FindByFormula HMDB33494 + 624.3638 22.776108 Tetronasin + 18.04125 "Tetronasin [ C35 H54 O8, db=71.47, tgt=, overall=71.47, CAS ID=75139-06-9, HMP ID=HMDB33494, METLIN ID=89311 ]" 75139-06-9 "(625.3688, 3109.34)(626.3707, 1177.95)(627.3751, 624.5175)" Tetronasin + 18.04125 FindByFormula HMDB33494 + 624.36 18.04125 Tetronasin + 18.123571 "Tetronasin [ C35 H54 O8, db=81.66, tgt=, overall=81.66, CAS ID=75139-06-9, HMP ID=HMDB33494, METLIN ID=89311 ]" 75139-06-9 "(625.37054, 2687.737)(626.37335, 982.38995)(627.3766, 531.58997)" Tetronasin + 18.123571 FindByFormula HMDB33494 + 624.3625 18.123571 Tetronasin + 18.139202 "Tetronasin [ C35 H54 O8, db=82.01, tgt=, overall=82.01, CAS ID=75139-06-9, HMP ID=HMDB33494, METLIN ID=89311 ]" 75139-06-9 "(625.3702, 2167.256)(626.3722, 852.43396)(627.3767, 415.006)" Tetronasin + 18.139202 FindByFormula HMDB33494 + 624.3618 18.139202 Tetronasin + 18.514 "Tetronasin [ C35 H54 O8, db=79.93, tgt=, overall=79.93, CAS ID=75139-06-9, HMP ID=HMDB33494, METLIN ID=89311 ]" 75139-06-9 "(625.3704, 4485.728)(626.3739, 1555.39)(627.37726, 908.766)" Tetronasin + 18.514 FindByFormula HMDB33494 + 624.3644 18.514 TG(12:0/18:0/22:0)[iso6] "TG(12:0/18:0/22:0)[iso6] [ C55 H106 O6, db=56.27, tgt=, overall=56.27, Lipid ID=LMGL03013455, METLIN ID=99310 ]" "(454.3876, 3159.085)(454.88232, 246.0775)(455.3919, 1147.27)" TG(12:0/18:0/22:0)[iso6] FindByFormula + LMGL03013455 906.7598 17.0635 "TG(15:0/15:0/18:2(9Z,12Z))[iso3]" "TG(15:0/15:0/18:2(9Z,12Z))[iso3] [ C51 H94 O6, db=58.92, tgt=, overall=58.92, Lipid ID=LMGL03012879, METLIN ID=98738 ]" "(424.34146, 4619.79)(424.83212, 286.76666)(425.34457, 1367.46)" "TG(15:0/15:0/18:2(9Z,12Z))[iso3]" FindByFormula + LMGL03012879 846.6683 14.198001 "TG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]" "TG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] [ C62 H96 O6, db=62.83, tgt=, overall=62.83, Lipid ID=LMGL03011833, METLIN ID=38331 ]" "(959.7075, 1579.595)(960.7167, 587.21)(961.7177, 1533.27)(981.6993, 986.2875)(982.70447, 559.565)" "TG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]" FindByFormula + LMGL03011833 958.7063 24.99 "TG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] + 24.1866" "TG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] [ C62 H96 O6, db=57.79, tgt=, overall=57.79, Lipid ID=LMGL03011833, METLIN ID=38331 ]" "(959.7109, 3308.925)(960.7212, 1506.4875)(961.72003, 1054.7433)(981.6999, 1104.9021)(982.70276, 688.94995)" "TG(17:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] + 24.1866" FindByFormula + LMGL03011833 958.7081 24.1866 "TG(17:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6]" "TG(17:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] [ C60 H102 O6, db=44.12, tgt=, overall=44.12, Lipid ID=LMGL03011067, METLIN ID=37566 ]" "(917.7649, 2291.855)(918.76587, 486.90503)" "TG(17:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6]" FindByFormula - LMGL03011067 918.7734 4.023 "TG(17:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] - 4.123" "TG(17:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] [ C60 H102 O6, db=48.05, tgt=, overall=48.05, Lipid ID=LMGL03011067, METLIN ID=37566 ]" "(917.76416, 3388.975)(918.76733, 745.35504)" "TG(17:2(9Z,12Z)/18:1(9Z)/22:4(7Z,10Z,13Z,16Z))[iso6] - 4.123" FindByFormula - LMGL03011067 918.77 4.123 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=65.84, tgt=, overall=65.84, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.71466, 61381.895)(984.7181, 39025.3)(985.71643, 22293.84)(986.7164, 8837.044)(987.7332, 5512.2)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]" FindByFormula + LMGL03012328 982.7063 26.426449 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 22.493" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=62.58, tgt=, overall=62.58, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.7143, 2515.18)(984.7173, 1374.685)(985.7169, 119.09)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 22.493" FindByFormula + LMGL03012328 982.7072 22.493 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 22.98325" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=70.25, tgt=, overall=70.25, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.7132, 7660.615)(984.717, 4078.4924)(985.7175, 2060.2134)(986.7206, 1262.24)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 22.98325" FindByFormula + LMGL03012328 982.7066 22.98325 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 23.6358" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=86.03, tgt=, overall=86.03, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.71436, 48602.12)(984.7176, 32631.645)(985.71857, 11890.286)(986.72003, 4182.8286)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 23.6358" FindByFormula + LMGL03012328 982.7067 23.6358 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 23.916" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=90.21, tgt=, overall=90.21, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.7137, 52762.863)(984.71674, 35309.004)(985.71844, 12751.73)(986.72015, 3343.42)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 23.916" FindByFormula + LMGL03012328 982.7076 23.916 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 24.672855" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=81.59, tgt=, overall=81.59, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.71454, 49537.68)(984.71765, 32478.559)(985.71783, 12561.994)(986.71893, 5498.366)(987.7231, 1703.92)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 24.672855" FindByFormula + LMGL03012328 982.707 24.672855 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 24.9965" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=84.99, tgt=, overall=84.99, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.7146, 27346.516)(984.7179, 19780.494)(985.7191, 7707.625)(986.72095, 2384.4102)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 24.9965" FindByFormula + LMGL03012328 982.7074 24.9965 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 26.442" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=66.16, tgt=, overall=66.16, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.7137, 49096.97)(984.7172, 30772.96)(985.71515, 19575.627)(986.71454, 8147.34)(987.7312, 6493.9595)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 26.442" FindByFormula + LMGL03012328 982.7048 26.442 "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 27.004501" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] [ C64 H96 O6, db=87.53, tgt=, overall=87.53, Lipid ID=LMGL03012328, METLIN ID=38826 ]" "(983.7118, 8326.3)(984.7163, 5918.5654)(985.7152, 2576.575)" "TG(17:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] + 27.004501" FindByFormula + LMGL03012328 982.7028 27.004501 "TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso3]" "TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso3] [ C65 H98 O6, db=2.70, tgt=, overall=2.70, Lipid ID=LMGL03012356, METLIN ID=38854 ]" "(997.72546, 36835.61)(998.22095, 11012.7295)(998.74585, 2121.975)" "TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z))[iso3]" FindByFormula + LMGL03012356 1993.4337 9.211 "TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]" "TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] [ C67 H98 O6, db=46.14, tgt=, overall=46.14, Lipid ID=LMGL03012567, METLIN ID=39065 ]" "(522.355, 3566.6467)(522.86334, 407.43002)(523.35626, 1060.5599)" "TG(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]" FindByFormula + LMGL03012567 1042.6959 15.773334 THA "THA [ C24 H36 O2, db=91.91, tgt=, overall=91.91, Lipid ID=LMFA01030822, METLIN ID=74358 ]" "(357.27798, 11970.856)(358.28488, 3321.577)(359.28333, 504.385)" THA FindByFormula + LMFA01030822 356.2702 12.335667 Thalicarpine "Thalicarpine [ C41 H48 N2 O8, db=87.75, tgt=, overall=87.75, CAS ID=5373-42-2, KEGG ID=C09655, METLIN ID=67863 ]" 5373-42-2 "(719.32733, 8729.356)(720.33075, 4019.4802)(721.3328, 1134.51)(741.3107, 2592.95)(742.3079, 1228.92)" Thalicarpine FindByFormula + C09655 718.3228 10.014 Thermocryptoxanthin-13 "Thermocryptoxanthin-13 [ C59 H90 O7, db=57.08, tgt=, overall=57.08, KEGG ID=C15954, METLIN ID=71116 ]" "(478.32208, 5250.7783)(478.83838, 477.12604)(479.3228, 1397.448)(479.8324, 266.31)" Thermocryptoxanthin-13 FindByFormula + C15954 954.6313 18.2844 Thermocryptoxanthin-13 + 18.248667 "Thermocryptoxanthin-13 [ C59 H90 O7, db=57.17, tgt=, overall=57.17, KEGG ID=C15954, METLIN ID=71116 ]" "(478.32242, 8806.97)(478.83798, 696.0733)(479.32285, 2138.0732)(479.8348, 176.42)(955.6447, 148.71)" Thermocryptoxanthin-13 + 18.248667 FindByFormula + C15954 954.6314 18.248667 Thermospermine "Thermospermine [ C10 H26 N4, db=96.37, tgt=, overall=96.37, CAS ID=70862-11-2, KEGG ID=C19669, METLIN ID=73283 ]" 70862-11-2 "(203.22363, 65909.555)(204.22514, 7837.201)(205.22702, 564.092)(225.2034, 834.45)" Thermospermine FindByFormula + C19669 202.2151 0.85008335 Thermospermine + 0.7153333 "Thermospermine [ C10 H26 N4, db=99.52, tgt=, overall=99.52, CAS ID=70862-11-2, KEGG ID=C19669, METLIN ID=73283 ]" 70862-11-2 "(203.22327, 16736.467)(204.22612, 2057.9434)(205.2261, 183.66)" Thermospermine + 0.7153333 FindByFormula + C19669 202.2143 0.7153333 Thermospermine + 1.165 "Thermospermine [ C10 H26 N4, db=95.55, tgt=, overall=95.55, CAS ID=70862-11-2, KEGG ID=C19669, METLIN ID=73283 ]" 70862-11-2 "(203.2235, 67145.61)(204.22519, 10257.949)(205.225, 743.10144)" Thermospermine + 1.165 FindByFormula + C19669 202.2166 1.165 Thermospermine + 1.2945 "Thermospermine [ C10 H26 N4, db=98.11, tgt=, overall=98.11, CAS ID=70862-11-2, KEGG ID=C19669, METLIN ID=73283 ]" 70862-11-2 "(203.22337, 106743.83)(204.22598, 15367.578)(205.2285, 2107.68)" Thermospermine + 1.2945 FindByFormula + C19669 202.216 1.2945 Thiaburimamide "Thiaburimamide [ C8 H14 N4 S2, db=61.24, tgt=, overall=61.24, CAS ID=38603-23-5, KEGG ID=C11800, METLIN ID=69229 ]" 38603-23-5 "(253.05606, 4541.2817)(254.05814, 856.32855)" Thiaburimamide FindByFormula + C11800 252.0488 1.9788573 Thioridazine "Thioridazine [ C21 H26 N2 S2, db=83.52, tgt=, overall=83.52, CAS ID=50-52-2, KEGG ID=C07133, HMP ID=HMDB14817, METLIN ID=2835 ]" 50-52-2 "(371.16223, 6696.578)(372.16562, 1382.2765)(373.1644, 766.52)" Thioridazine FindByFormula HMDB14817 + C07133 370.1553 22.012667 Thr His Glu "Thr His Glu [ C15 H23 N5 O7, db=55.83, tgt=, overall=55.83, METLIN ID=16518 ]" "(408.14948, 1683.5361)(409.154, 643.76404)" Thr His Glu FindByFormula + 407.1431 1.2698001 Thr Ile "Thr Ile [ C10 H20 N2 O4, db=78.50, tgt=, overall=78.50, METLIN ID=23987 ]" "(233.14949, 4126.262)(234.15247, 671.528)(235.1424, 266.87)(255.13173, 646.0434)" Thr Ile FindByFormula + 232.1427 1.1382 Thr Ile Ala "Thr Ile Ala [ C13 H25 N3 O5, mfg=81.94, db=81.93, tgt=, overall=81.93, METLIN ID=17758 ]" "(304.1864, 2220.2268)(305.19, 500.6133)(306.18488, 131.06)(326.1686, 1022.28)(327.1689, 137.29)" Thr Ile Ala FindByFormula + 303.1803 4.2503333 Thr Ile Ala - 3.882 "Thr Ile Ala [ C13 H25 N3 O5, db=78.53, tgt=, overall=78.53, METLIN ID=17758 ]" "(302.17355, 1766.63)(303.17523, 302.37)" Thr Ile Ala - 3.882 FindByFormula - 303.1784 3.882 Thr Ile Ala + 3.4486666 "Thr Ile Ala [ C13 H25 N3 O5, db=74.63, tgt=, overall=74.63, METLIN ID=17758 ]" "(304.18735, 3959.4797)(305.18936, 990.6067)(306.1865, 321.15)(342.1431, 1329.26)(326.1687, 2438.81)(327.1645, 179.19)" Thr Ile Ala + 3.4486666 FindByFormula + 303.1782 3.4486666 Thr Ile Arg "Thr Ile Arg [ C16 H32 N6 O5, mfg=56.37, db=56.35, tgt=, overall=56.36, METLIN ID=18377 ]" "(389.25122, 7134.005)(390.24463, 1387.695)(391.24103, 770.95996)(411.2344, 1310.72)" Thr Ile Arg FindByFormula + 388.2438 1.1565 Thr Leu Val "Thr Leu Val [ C15 H29 N3 O5, db=89.19, tgt=, overall=89.19, METLIN ID=19505 ]" "(332.21835, 4748.988)(333.2214, 1149.3182)(334.2201, 271.34)(370.17474, 521.115)(354.203, 1038.17)(355.2114, 102.18)" Thr Leu Val FindByFormula + 331.2119 7.504833 Thr Pro Phe "Thr Pro Phe [ C18 H25 N3 O5, db=78.60, tgt=, overall=78.60, METLIN ID=18631 ]" "(362.17075, 1730.0461)(363.1738, 390.23123)" Thr Pro Phe FindByFormula - 363.1769 10.49975 Thr Thr Ala "Thr Thr Ala [ C11 H21 N3 O6, db=64.83, tgt=, overall=64.83, METLIN ID=21540 ]" "(314.1313, 3653.54)(315.1326, 794.30005)" Thr Thr Ala FindByFormula + 313.1234 7.6105003 Thr Thr Tyr "Thr Thr Tyr [ C17 H25 N3 O7, db=11.28, tgt=, overall=11.28, METLIN ID=18203 ]" "(406.1568, 5833.2866)(406.65872, 2980.9492)(407.16064, 1162.1539)(407.65686, 281.54)(811.6384, 507.34)(812.31885, 187.715)" Thr Thr Tyr FindByFormula + 810.2998 11.8141985 Thr Thr Tyr + 11.826 "Thr Thr Tyr [ C17 H25 N3 O7, db=11.90, tgt=, overall=11.90, METLIN ID=18203 ]" "(406.15744, 6590.4053)(406.6586, 3306.82)(407.16052, 1484.395)" Thr Thr Tyr + 11.826 FindByFormula + 810.3015 11.826 Thr Tyr Lys "Thr Tyr Lys [ C19 H30 N4 O6, db=74.62, tgt=, overall=74.62, METLIN ID=19776 ]" "(389.24008, 2848.9465)(390.2383, 975.16)(391.2365, 313.11)(411.2245, 4192.573)(412.22742, 1227.5367)" Thr Tyr Lys FindByFormula + 388.2349 7.2339997 Thr Val Ala "Thr Val Ala [ C12 H23 N3 O5, mfg=90.71, db=90.71, tgt=, overall=90.71, METLIN ID=17877 ]" "(290.17105, 3920.99)(291.17297, 543.48)(292.1778, 263.99)(328.12, 342.02)(312.1556, 2444.36)(313.1505, 587.64)" Thr Val Ala FindByFormula + 289.164 2.211 Thr Val Ala + 2.2315001 "Thr Val Ala [ C12 H23 N3 O5, db=59.85, tgt=, overall=59.85, METLIN ID=17877 ]" "(290.16995, 2120.245)(291.1679, 409.15)" Thr Val Ala + 2.2315001 FindByFormula + 289.163 2.2315001 Thr Val Ala + 3.1718 "Thr Val Ala [ C12 H23 N3 O5, mfg=74.16, db=74.09, tgt=, overall=74.12, METLIN ID=17877 ]" "(290.17075, 1367.7062)(291.1712, 256.826)(328.1205, 239.07)(312.15256, 433.12332)" Thr Val Ala + 3.1718 FindByFormula + 289.1632 3.1718 Thr-Nap-OH "Thr-Nap-OH [ C23 H22 N2 O7, db=95.95, tgt=, overall=95.95, CAS ID=, KEGG ID=, METLIN ID=65328 ]" "(439.1499, 5298.335)(440.15332, 1436.245)(441.1562, 462.14502)" Thr-Nap-OH FindByFormula + 438.1438 21.9985 Thr-Nap-OH + 21.2605 "Thr-Nap-OH [ C23 H22 N2 O7, db=56.06, tgt=, overall=56.06, CAS ID=, KEGG ID=, METLIN ID=65328 ]" "(439.15024, 477.83502)(440.14365, 153.985)" Thr-Nap-OH + 21.2605 FindByFormula + 438.1415 21.2605 Tifluadom "Tifluadom [ C22 H20 F N3 O S, db=60.22, tgt=, overall=60.22, CAS ID=83386-35-0, KEGG ID=C11797, METLIN ID=69227 ]" 83386-35-0 "(392.12216, 2232.32)(393.124, 378.03)" Tifluadom FindByFormula - C11797 393.1324 1.4486666 Tocoretinate "Tocoretinate [ C49 H76 O3, db=63.79, tgt=, overall=63.79, CAS ID=40516-48-1, KEGG ID=C12967, METLIN ID=69519 ]" 40516-48-1 "(735.57153, 4923.6753)(736.57416, 1552.0101)(737.5661, 322.505)" Tocoretinate FindByFormula + C12967 734.5627 26.957167 Torvanol A "Torvanol A [ C20 H20 O10 S, db=64.66, tgt=, overall=64.66, CAS ID=, HMP ID=HMDB38789, METLIN ID=93432 ]" "(451.06873, 2129.15)(452.07196, 504.43)" Torvanol A FindByFormula HMDB38789 - 452.0771 11.014 Torvoside D "Torvoside D [ C38 H62 O13, db=94.79, tgt=, overall=94.79, CAS ID=, HMP ID=HMDB29624, METLIN ID=86384 ]" "(749.40826, 2309.037)(750.4107, 990.04004)(751.4113, 320.4293)" Torvoside D FindByFormula HMDB29624 + 748.4038 12.849072 Trabectedin "Trabectedin [ C39 H43 N3 O11 S, db=67.41, tgt=, overall=67.41, CAS ID=114899-77-3, KEGG ID=C16875, METLIN ID=71400 ]" 114899-77-3 "(784.24915, 12144.66)(785.25146, 2304.4648)(786.25415, 2846.065)" Trabectedin FindByFormula + C16875 783.2433 9.6615 Trabectedin + 14.572401 "Trabectedin [ C39 H43 N3 O11 S, db=75.28, tgt=, overall=75.28, CAS ID=114899-77-3, KEGG ID=C16875, METLIN ID=71400 ]" 114899-77-3 "(784.2523, 2960.91)(785.25256, 935.57697)(786.24817, 497.513)(806.229, 288.44666)(807.22424, 293.355)(808.2161, 391.05002)" Trabectedin + 14.572401 FindByFormula + C16875 783.2446 14.572401 Trabectedin + 14.78682 "Trabectedin [ C39 H43 N3 O11 S, db=70.07, tgt=, overall=70.07, CAS ID=114899-77-3, KEGG ID=C16875, METLIN ID=71400 ]" 114899-77-3 "(784.2514, 2319.001)(785.2522, 771.7519)(786.2457, 500.72186)(806.2305, 532.008)(807.23535, 173.60335)(808.2203, 445.89664)" Trabectedin + 14.78682 FindByFormula + C16875 783.2459 14.78682 Trandolapril "Trandolapril [ C24 H34 N2 O5, db=61.66, tgt=, overall=61.66, CAS ID=87679-37-6, KEGG ID=C07154, METLIN ID=2887 ]" 87679-37-6 "(429.2391, 4253.5303)(430.23865, 1493.365)" Trandolapril FindByFormula - C07154 430.2449 6.799 Trandolapril glucuronide "Trandolapril glucuronide [ C30 H42 N2 O11, db=56.75, tgt=, overall=56.75, CAS ID=, METLIN ID=2891 ]" "(315.13733, 2313.055)(315.64087, 815.20996)(629.26953, 2718.475)(630.26587, 1198.88)(651.2461, 947.99)(652.2296, 110.98)" Trandolapril glucuronide FindByFormula + 628.2609 9.09 Trandolaprilat "Trandolaprilat [ C22 H30 N2 O5, db=72.27, tgt=, overall=72.27, CAS ID=87679-71-8, METLIN ID=2888 ]" 87679-71-8 "(401.20667, 1326.285)(402.21185, 253.52751)" Trandolaprilat FindByFormula - 402.2138 7.36825 Tranexamic acid "Tranexamic acid [ C8 H15 N O2, db=80.28, tgt=, overall=80.28, CAS ID=1197-18-8, KEGG ID=C12535, METLIN ID=2893 ]" 1197-18-8 "(353.1846, 81.28)(158.1177, 92234.8)(159.11858, 9736.468)(196.0737, 1257.84)(180.10094, 537.6333)" Tranexamic acid FindByFormula + C12535 157.1115 1.0576667 "trans,trans-Farnesol" "trans,trans-Farnesol [ C15 H26 O, db=89.98, tgt=, overall=89.98, CAS ID=106-28-5, Lipid ID=LMPR0103010001, KEGG ID=C01126, METLIN ID=65504 ]" 106-28-5 "(245.18712, 11892.487)(246.18802, 1958.59)(247.19229, 301.0)(267.17056, 1787.2432)(268.1686, 735.35)" "trans,trans-Farnesol" FindByFormula + C01126 LMPR0103010001 244.1806 7.4087496 trans-Caffeic acid [apiosyl-(1-6)-glucosyl] ester "trans-Caffeic acid [apiosyl-(1-6)-glucosyl] ester [ C20 H26 O13, db=72.30, tgt=, overall=72.30, CAS ID=, HMP ID=HMDB33694, METLIN ID=89479 ]" "(475.14337, 2428.44)(476.15146, 528.14)" trans-Caffeic acid [apiosyl-(1-6)-glucosyl] ester FindByFormula HMDB33694 + 474.1357 1.803 trans-Caffeic acid [apiosyl-(1-6)-glucosyl] ester + 7.7145 "trans-Caffeic acid [apiosyl-(1-6)-glucosyl] ester [ C20 H26 O13, db=56.21, tgt=, overall=56.21, CAS ID=, HMP ID=HMDB33694, METLIN ID=89479 ]" "(475.14587, 1183.26)(476.14642, 478.51498)" trans-Caffeic acid [apiosyl-(1-6)-glucosyl] ester + 7.7145 FindByFormula HMDB33694 + 474.1372 7.7145 trans-O-Methylgrandmarin "trans-O-Methylgrandmarin [ C16 H18 O6, db=97.43, tgt=, overall=97.43, CAS ID=, HMP ID=HMDB39031, METLIN ID=93637 ]" "(307.11697, 22027.424)(308.12048, 3773.11)(309.12503, 921.70996)" trans-O-Methylgrandmarin FindByFormula HMDB39031 + 306.1083 7.9837246 Tremulacin "Tremulacin [ C27 H28 O11, db=67.22, tgt=, overall=67.22, CAS ID=29836-40-6, KEGG ID=C09973, METLIN ID=68057 ]" 29836-40-6 "(529.17145, 4208.033)(530.173, 1687.0067)(531.18036, 1061.8634)(532.1854, 347.51)" Tremulacin FindByFormula + C09973 528.1616 15.167 Triamcinolone hexacetonide "Triamcinolone hexacetonide [ C30 H41 F O7, db=0.00, tgt=, overall=0.00, CAS ID=5611-51-8, KEGG ID=C08185, METLIN ID=2904 ]" 5611-51-8 "(1103.544, 1082.75)(1104.028, 512.97)(533.2926, 1721.45)(533.7839, 519.88)" Triamcinolone hexacetonide FindByFormula + C08185 1064.5732 8.137 Triazophos "Triazophos [ C12 H16 N3 O3 P S, db=98.53, tgt=, overall=98.53, CAS ID=24017-47-8, KEGG ID=C18657, METLIN ID=72443 ]" 24017-47-8 "(292.08932, 5293.187)(293.09122, 907.95996)(294.08588, 345.836)(330.04623, 1097.9667)(331.04193, 109.045)(314.07187, 22082.121)(315.0749, 3646.316)(316.06985, 1288.0829)" Triazophos FindByFormula + C18657 291.0816 7.772857 Tributyl phosphate "Tributyl phosphate [ C12 H27 O4 P, db=74.92, tgt=, overall=74.92, CAS ID=126-73-8, KEGG ID=C14439, HMP ID=, METLIN ID=70062 ]" 126-73-8 "(267.17175, 2662.685)(268.1705, 381.635)" Tributyl phosphate FindByFormula + C14439 266.1632 2.3745 Trichilin A "Trichilin A [ C35 H46 O13, db=71.14, tgt=, overall=71.14, CAS ID=77182-69-5, KEGG ID=C08786, METLIN ID=67203 ]" 77182-69-5 "(637.3422, 449.98666)(638.34985, 304.28998)(675.2986, 2477.705)(676.30023, 963.33746)(677.29395, 284.275)" Trichilin A FindByFormula + C08786 636.3337 22.539501 Trichilin A + 23.853003 "Trichilin A [ C35 H46 O13, db=75.53, tgt=, overall=75.53, CAS ID=77182-69-5, KEGG ID=C08786, METLIN ID=67203 ]" 77182-69-5 "(675.29834, 7237.592)(676.3001, 2827.5)(677.30023, 976.42993)(678.2773, 53.57)" Trichilin A + 23.853003 FindByFormula + C08786 674.2921 23.853003 Trichilin A + 23.86125 "Trichilin A [ C35 H46 O13, db=88.64, tgt=, overall=88.64, CAS ID=77182-69-5, KEGG ID=C08786, METLIN ID=67203 ]" 77182-69-5 "(675.3006, 8528.391)(676.30334, 3376.7585)(677.2998, 1030.745)(678.30066, 316.57144)" Trichilin A + 23.86125 FindByFormula + C08786 674.2938 23.86125 Trichostatin A "Trichostatin A [ C17 H22 N2 O3, db=99.47, tgt=, overall=99.47, CAS ID=58880-19-6, Lipid ID=LMPK01000055, METLIN ID=46755 ]" 58880-19-6 "(303.1705, 10540.885)(304.17377, 2129.4658)(305.17694, 344.60248)(341.1231, 666.23)(325.15253, 2153.034)(326.1544, 1143.09)" Trichostatin A FindByFormula + LMPK01000055 302.1631 10.578889 Triethylenemelamine "Triethylenemelamine [ C9 H12 N6, db=51.55, tgt=, overall=51.55, CAS ID=51-18-3, KEGG ID=C07642, METLIN ID=66702 ]" 51-18-3 "(227.1013, 1647.4401)(228.10027, 435.48666)" Triethylenemelamine FindByFormula + C07642 226.0943 1.0979999 Trigoneoside XIb "Trigoneoside XIb [ C44 H74 O19, db=77.97, tgt=, overall=77.97, CAS ID=290347-58-9, HMP ID=HMDB36485, METLIN ID=91609 ]" 290347-58-9 "(454.24948, 3009.3)(454.7545, 1398.0668)(455.25247, 951.2033)(907.4918, 5201.655)(908.49524, 3254.015)(909.49646, 1598.9099)(910.5046, 735.21674)" Trigoneoside XIb FindByFormula HMDB36485 + 906.4846 13.718 Trigoneoside XIb + 13.711001 "Trigoneoside XIb [ C44 H74 O19, db=70.70, tgt=, overall=70.70, CAS ID=290347-58-9, HMP ID=HMDB36485, METLIN ID=91609 ]" 290347-58-9 "(907.4907, 6579.3696)(908.4942, 4055.7136)(909.5, 2653.95)" Trigoneoside XIb + 13.711001 FindByFormula HMDB36485 + 906.4808 13.711001 Trigoneoside XIb + 13.727501 "Trigoneoside XIb [ C44 H74 O19, db=73.33, tgt=, overall=73.33, CAS ID=290347-58-9, HMP ID=HMDB36485, METLIN ID=91609 ]" 290347-58-9 "(454.2507, 1418.04)(454.7553, 687.77)(455.2593, 464.32)(907.4924, 6107.295)(908.49695, 3767.87)(909.5, 758.47)" Trigoneoside XIb + 13.727501 FindByFormula HMDB36485 + 906.4862 13.727501 Trilobolide "Trilobolide [ C27 H38 O10, db=84.55, tgt=, overall=84.55, CAS ID=50657-07-3, KEGG ID=C09563, METLIN ID=67805 ]" 50657-07-3 "(1090.0627, 397.746)(1090.964, 277.055)(1091.4431, 409.34003)(1111.447, 791.56226)(1112.455, 491.08835)(1113.4584, 455.6383)(545.2372, 7450.8276)(546.2391, 2589.9316)(547.239, 946.1917)(583.19147, 339.69833)(584.19617, 75.49)(567.2211, 5298.64)(568.2242, 1598.6317)(569.2248, 398.66092)" Trilobolide FindByFormula + C09563 544.2288 13.65375 Trilobolide - 13.7075 "Trilobolide [ C27 H38 O10, db=73.13, tgt=, overall=73.13, CAS ID=50657-07-3, KEGG ID=C09563, METLIN ID=67805 ]" 50657-07-3 "(521.23944, 1233.795)(522.24255, 437.545)" Trilobolide - 13.7075 FindByFormula - C09563 522.2434 13.7075 Trilobolide + 18.71704 "Trilobolide [ C27 H38 O10, db=80.62, tgt=, overall=80.62, CAS ID=50657-07-3, KEGG ID=C09563, METLIN ID=67805 ]" 50657-07-3 "(523.2545, 24946.07)(524.2578, 9611.246)(525.2608, 4770.8)(526.258, 1338.0786)(561.20715, 102.2875)" Trilobolide + 18.71704 FindByFormula + C09563 522.2478 18.71704 Trilobolide + 18.728462 "Trilobolide [ C27 H38 O10, db=80.11, tgt=, overall=80.11, CAS ID=50657-07-3, KEGG ID=C09563, METLIN ID=67805 ]" 50657-07-3 "(523.25433, 26087.205)(524.2574, 10025.26)(525.26086, 4958.9736)" Trilobolide + 18.728462 FindByFormula + C09563 522.2473 18.728462 Trimetazidine "Trimetazidine [ C14 H22 N2 O3, db=97.91, tgt=, overall=97.91, METLIN ID=85225 ]" "(267.17105, 195405.34)(268.17383, 33214.76)(269.17578, 4134.455)(305.12646, 6712.8604)(306.12793, 1173.9199)(307.12457, 772.43)(289.15247, 17522.686)(290.15955, 3476.45)(291.15695, 578.195)" Trimetazidine FindByFormula + 266.1636 3.066 Triphenylphosphine oxide "Triphenylphosphine oxide [ C18 H15 O P, db=69.50, tgt=, overall=69.50, CAS ID=791-28-6, METLIN ID=64889 ]" 791-28-6 "(301.075, 1406.97)(302.07758, 421.608)" Triphenylphosphine oxide FindByFormula + 300.07 24.003998 Triphenylphosphine oxide + 24.8195 "Triphenylphosphine oxide [ C18 H15 O P, db=63.10, tgt=, overall=63.10, CAS ID=791-28-6, METLIN ID=64889 ]" 791-28-6 "(301.07587, 274.085)(302.07755, 90.675)" Triphenylphosphine oxide + 24.8195 FindByFormula + 300.0693 24.8195 Triuvaretin "Triuvaretin [ C37 H34 O7, db=65.09, tgt=, overall=65.09, Lipid ID=LMPK12120475, METLIN ID=52278 ]" "(589.2254, 1675.2549)(590.2283, 539.88495)" Triuvaretin FindByFormula - LMPK12120475 590.228 13.731833 Troglitazone quinone "Troglitazone quinone [ C24 H27 N O6 S, db=56.89, tgt=, overall=56.89, CAS ID=136665-44-6, METLIN ID=2974 ]" 136665-44-6 "(458.1637, 1290.2999)(459.16357, 496.22668)" Troglitazone quinone FindByFormula + 457.1547 12.905 Troglitazone quinone + 12.231199 "Troglitazone quinone [ C24 H27 N O6 S, db=60.63, tgt=, overall=60.63, CAS ID=136665-44-6, METLIN ID=2974 ]" 136665-44-6 "(458.16324, 1177.5061)(459.16382, 408.73798)(480.141, 286.385)" Troglitazone quinone + 12.231199 FindByFormula + 457.1561 12.231199 Trp Arg Ala "Trp Arg Ala [ C20 H29 N7 O4, db=85.05, tgt=, overall=85.05, METLIN ID=18110 ]" "(432.23428, 4854.58)(433.23575, 1519.8365)(434.2463, 104.12)" Trp Arg Ala FindByFormula + 431.2234 1.1776667 Trp Asn Arg "Trp Asn Arg [ C21 H30 N8 O5, db=54.76, tgt=, overall=54.76, METLIN ID=18821 ]" "(971.44336, 751.67)(972.43896, 390.85)(973.436, 252.53)(475.23895, 1784.02)(476.23935, 610.5)(497.22284, 1488.0851)(498.21777, 519.66)(499.2326, 489.69)" Trp Asn Arg FindByFormula + 474.2309 12.707 Trp Asp Asp "Trp Asp Asp [ C19 H22 N4 O8, db=89.37, tgt=, overall=89.37, METLIN ID=18516 ]" "(457.1324, 15863.366)(458.13492, 3441.3647)(459.14044, 1484.4248)(495.0909, 77.24)" Trp Asp Asp FindByFormula + 456.1247 6.533222 Trp Asp Asp + 1.8715 "Trp Asp Asp [ C19 H22 N4 O8, db=69.30, tgt=, overall=69.30, METLIN ID=18516 ]" "(457.13214, 14987.82)(458.13657, 3197.815)(459.14502, 1827.7233)(460.1486, 1217.9)" Trp Asp Asp + 1.8715 FindByFormula + 456.1232 1.8715 Trp Asp Asp + 2.8116665 "Trp Asp Asp [ C19 H22 N4 O8, db=91.74, tgt=, overall=91.74, METLIN ID=18516 ]" "(457.13217, 19200.943)(458.13647, 4820.3633)(459.1462, 84.75)" Trp Asp Asp + 2.8116665 FindByFormula + 456.125 2.8116665 Trp Asp Asp + 3.2105 "Trp Asp Asp [ C19 H22 N4 O8, db=76.64, tgt=, overall=76.64, METLIN ID=18516 ]" "(457.13214, 6432.9854)(458.13446, 1701.4299)" Trp Asp Asp + 3.2105 FindByFormula + 456.1243 3.2105 Trp Asp Asp + 3.2216 "Trp Asp Asp [ C19 H22 N4 O8, db=91.87, tgt=, overall=91.87, METLIN ID=18516 ]" "(457.132, 3289.104)(458.13574, 927.996)(459.1377, 128.27)" Trp Asp Asp + 3.2216 FindByFormula + 456.1245 3.2216 Trp Asp Asp + 3.238 "Trp Asp Asp [ C19 H22 N4 O8, db=88.04, tgt=, overall=88.04, METLIN ID=18516 ]" "(457.13217, 3194.5251)(458.1329, 811.77496)(459.1317, 80.75)" Trp Asp Asp + 3.238 FindByFormula + 456.1255 3.238 Trp Asp Asp + 3.939 "Trp Asp Asp [ C19 H22 N4 O8, db=95.40, tgt=, overall=95.40, METLIN ID=18516 ]" "(457.13226, 19353.844)(458.13556, 4348.762)(459.1419, 139.61)" Trp Asp Asp + 3.939 FindByFormula + 456.1249 3.939 Trp Asp Asp + 3.9524002 "Trp Asp Asp [ C19 H22 N4 O8, db=95.39, tgt=, overall=95.39, METLIN ID=18516 ]" "(457.13242, 20983.041)(458.13574, 4662.2803)(459.14493, 1031.0466)" Trp Asp Asp + 3.9524002 FindByFormula + 456.125 3.9524002 Trp Asp Asp + 4.3105 "Trp Asp Asp [ C19 H22 N4 O8, db=78.25, tgt=, overall=78.25, METLIN ID=18516 ]" "(457.13214, 29716.914)(458.1358, 6441.44)(459.1453, 3369.295)(460.1483, 803.07)" Trp Asp Asp + 4.3105 FindByFormula + 456.1256 4.3105 Trp Asp Asp + 5.25675 "Trp Asp Asp [ C19 H22 N4 O8, db=99.13, tgt=, overall=99.13, METLIN ID=18516 ]" "(457.1325, 11786.362)(458.13528, 2562.4824)(459.1383, 475.25748)" Trp Asp Asp + 5.25675 FindByFormula + 456.1255 5.25675 Trp Asp Asp + 5.2650003 "Trp Asp Asp [ C19 H22 N4 O8, db=98.48, tgt=, overall=98.48, METLIN ID=18516 ]" "(457.13232, 16419.887)(458.1355, 3521.205)(459.13803, 488.045)" Trp Asp Asp + 5.2650003 FindByFormula + 456.1254 5.2650003 Trp Asp Asp + 5.2799997 "Trp Asp Asp [ C19 H22 N4 O8, db=97.87, tgt=, overall=97.87, METLIN ID=18516 ]" "(457.13226, 25840.941)(458.13568, 5595.26)(459.14203, 955.79004)" Trp Asp Asp + 5.2799997 FindByFormula + 456.1247 5.2799997 Trp Asp Asp + 6.4996667 "Trp Asp Asp [ C19 H22 N4 O8, db=97.88, tgt=, overall=97.88, METLIN ID=18516 ]" "(457.1327, 14929.496)(458.13547, 3276.7488)(459.1407, 247.57797)" Trp Asp Asp + 6.4996667 FindByFormula + 456.1255 6.4996667 Trp Asp Asp + 6.5431666 "Trp Asp Asp [ C19 H22 N4 O8, db=75.05, tgt=, overall=75.05, METLIN ID=18516 ]" "(457.13232, 21426.209)(458.136, 4697.5186)(459.14243, 3109.2698)" Trp Asp Asp + 6.5431666 FindByFormula + 456.1253 6.5431666 Trp Asp Asp + 6.8405 "Trp Asp Asp [ C19 H22 N4 O8, db=90.12, tgt=, overall=90.12, METLIN ID=18516 ]" "(457.1315, 3710.995)(458.13617, 883.24)(459.1468, 163.98)" Trp Asp Asp + 6.8405 FindByFormula + 456.1243 6.8405 Trp Cys Pro "Trp Cys Pro [ C19 H24 N4 O4 S, db=69.84, tgt=, overall=69.84, METLIN ID=19267 ]" "(405.15994, 47033.22)(406.16275, 12751.225)(407.15808, 17164.426)(408.1604, 4514.95)(409.1668, 749.35)" Trp Cys Pro FindByFormula + 404.1505 10.461 Trp His Arg "Trp His Arg [ C23 H31 N9 O4, mfg=89.98, db=89.98, tgt=, overall=89.98, METLIN ID=18373 ]" "(498.25604, 11441.769)(499.25946, 2937.0806)(500.25717, 834.85803)(520.2297, 201.14)" Trp His Arg FindByFormula + 497.2498 14.5291 Trp His Arg + 14.529888 "Trp His Arg [ C23 H31 N9 O4, db=89.71, tgt=, overall=89.71, METLIN ID=18373 ]" "(498.25543, 11859.989)(499.25867, 3005.6218)(500.2587, 107.50666)" Trp His Arg + 14.529888 FindByFormula + 497.2489 14.529888 Trp Ile Lys "Trp Ile Lys [ C23 H35 N5 O4, mfg=92.75, db=92.74, tgt=, overall=92.74, METLIN ID=16425 ]" "(891.5308, 146.21)(446.2766, 25139.076)(447.27713, 7373.25)(448.27823, 1355.82)(484.2281, 1505.175)(468.2612, 17517.79)(469.2579, 3744.06)" Trp Ile Lys FindByFormula + 445.2701 8.502666 Trp Lys Lys "Trp Lys Lys [ C23 H36 N6 O4, db=94.74, tgt=, overall=94.74, METLIN ID=19246 ]" "(987.50977, 1020.2161)(988.51605, 613.73444)(989.51526, 344.33875)(483.26834, 14029.548)(484.2709, 3937.4434)(485.27185, 900.95245)(486.2689, 407.1967)(521.2259, 675.89496)(505.25098, 7290.371)(506.25418, 2191.0325)(507.25607, 414.0411)" Trp Lys Lys FindByFormula + 482.2628 13.726417 Trp Lys Lys + 16.257666 "Trp Lys Lys [ C23 H36 N6 O4, mfg=80.44, db=80.45, tgt=, overall=80.45, METLIN ID=19246 ]" "(461.2872, 2854.75)(462.2911, 690.3367)(463.28378, 274.32)" Trp Lys Lys + 16.257666 FindByFormula + 460.2807 16.257666 Trp Phe Phe "Trp Phe Phe [ C29 H30 N4 O4, db=86.78, tgt=, overall=86.78, METLIN ID=16115 ]" "(477.2572, 2133.21)(478.2594, 931.83)(499.23465, 6140.0303)(500.2376, 1522.485)(501.2414, 526.515)" Trp Phe Phe FindByFormula + 476.2476 12.309999 Trp Phe Phe + 13.4375 "Trp Phe Phe [ C29 H30 N4 O4, db=77.21, tgt=, overall=77.21, METLIN ID=16115 ]" "(953.495, 790.71)(954.501, 625.72)(955.4973, 298.04)(975.4723, 1171.12)(976.4786, 567.53)(977.4858, 211.33)(477.2523, 2912.46)(478.25696, 881.385)(479.256, 295.23)(499.2355, 3412.1401)(500.2376, 969.865)(501.2373, 479.69998)" Trp Phe Phe + 13.4375 FindByFormula + 476.2448 13.4375 Trp Phe Phe + 13.592199 "Trp Phe Phe [ C29 H30 N4 O4, db=78.15, tgt=, overall=78.15, METLIN ID=16115 ]" "(499.23413, 2766.7817)(500.2375, 955.01794)" Trp Phe Phe + 13.592199 FindByFormula + 498.2281 13.592199 Trp Phe Trp "Trp Phe Trp [ C31 H31 N5 O4, db=91.47, tgt=, overall=91.47, METLIN ID=20466 ]" "(538.245, 1538.3639)(539.2429, 341.37387)(540.2378, 198.63501)(576.19794, 333.01752)(560.2266, 5180.8745)(561.22876, 1578.7823)(562.2286, 412.85223)" Trp Phe Trp FindByFormula + 537.2408 14.540078 Trp Phe Trp + 14.522571 "Trp Phe Trp [ C31 H31 N5 O4, db=81.94, tgt=, overall=81.94, METLIN ID=20466 ]" "(560.22675, 5058.9697)(561.2284, 1513.3528)(562.2252, 488.65002)(582.2072, 462.26)" Trp Phe Trp + 14.522571 FindByFormula + 559.2187 14.522571 Trp Phe Trp + 14.537666 "Trp Phe Trp [ C31 H31 N5 O4, db=75.15, tgt=, overall=75.15, METLIN ID=20466 ]" "(560.2265, 5107.08)(561.2284, 1520.0607)(582.2107, 613.0222)" Trp Phe Trp + 14.537666 FindByFormula + 559.2202 14.537666 Trp Pro Cys "Trp Pro Cys [ C19 H24 N4 O4 S, db=98.02, tgt=, overall=98.02, METLIN ID=20185 ]" "(831.2878, 154.02)(405.1595, 1325.3656)(406.16022, 331.89767)(407.1604, 202.65875)(443.11356, 2062.2695)(444.11642, 547.4866)(445.11176, 431.14844)(427.1416, 13133.875)(428.14474, 3183.8418)(429.14197, 1022.05066)(430.1473, 336.62573)" Trp Pro Cys FindByFormula + 404.1519 2.5008237 Trp Trp Gly "Trp Trp Gly [ C24 H25 N5 O4, db=72.29, tgt=, overall=72.29, METLIN ID=17329 ]" "(448.19894, 2871.1602)(449.20206, 561.06)" Trp Trp Gly FindByFormula + 447.1948 7.2075 Trp Tyr Lys "Trp Tyr Lys [ C26 H33 N5 O5, db=58.62, tgt=, overall=58.62, METLIN ID=19414 ]" "(496.2551, 885.66)(497.26144, 392.97498)(518.2416, 440.02)" Trp Tyr Lys FindByFormula + 495.2502 14.4895 Tuberoside E "Tuberoside E [ C45 H74 O18, db=9.81, tgt=, overall=9.81, CAS ID=234771-07-4, HMP ID=HMDB34305, METLIN ID=89835 ]" 234771-07-4 "(925.4724, 23291.51)(925.973, 21527.21)(926.47095, 13970.21)(926.9726, 5009.16)(927.4668, 2087.13)(927.9629, 923.61)(947.4592, 1626.385)(947.96844, 1346.915)(948.4535, 1890.81)(948.953, 129.79)(936.47156, 8610.145)(936.9617, 8283.93)(937.47144, 4797.1)(937.9662, 2256.885)" Tuberoside E FindByFormula HMDB34305 + 1848.9349 7.1735 Tumonoic Acid I "Tumonoic Acid I [ C27 H47 N O7, db=57.87, tgt=, overall=57.87, METLIN ID=65437 ]" "(498.34235, 4150.5303)(499.33966, 1523.72)(536.3024, 1007.49)" Tumonoic Acid I FindByFormula + 497.3369 7.467 Tyr Arg Thr "Tyr Arg Thr [ C19 H30 N6 O6, db=80.65, tgt=, overall=80.65, METLIN ID=19645 ]" "(437.21484, 2096.824)(438.2189, 529.094)" Tyr Arg Thr FindByFormula - 438.2204 9.403 Tyr Arg Thr - 9.401999 "Tyr Arg Thr [ C19 H30 N6 O6, db=79.94, tgt=, overall=79.94, METLIN ID=19645 ]" "(437.21548, 2291.1301)(438.21967, 586.31995)" Tyr Arg Thr - 9.401999 FindByFormula - 438.2211 9.401999 Tyr Asn His "Tyr Asn His [ C19 H24 N6 O6, db=73.13, tgt=, overall=73.13, METLIN ID=18213 ]" "(431.16772, 1461.5725)(432.17062, 448.55188)" Tyr Asn His FindByFormula - 432.1758 12.031686 Tyr Ile Cys "Tyr Ile Cys [ C18 H27 N3 O5 S, db=79.90, tgt=, overall=79.90, METLIN ID=20817 ]" "(398.1762, 6540.112)(399.18185, 1575.304)(400.17514, 696.72504)(420.16144, 1803.5275)" Tyr Ile Cys FindByFormula + 397.1665 8.469 Tyr Met Leu "Tyr Met Leu [ C20 H31 N3 O5 S, db=91.51, tgt=, overall=91.51, METLIN ID=20153 ]" "(889.37915, 480.575)(873.4048, 666.73)(426.2074, 11545.468)(427.21085, 2917.6875)(428.20615, 1001.5)(464.15973, 2496.385)(465.16748, 749.315)(466.1756, 347.07)(448.18875, 7104.9697)(449.19763, 1949.2051)(450.19357, 919.9267)" Tyr Met Leu FindByFormula + 425.1989 8.5915 Tyr Phe "Tyr Phe [ C18 H20 N2 O4, db=89.55, tgt=, overall=89.55, METLIN ID=23970 ]" "(329.14886, 3804.8215)(330.1526, 1055.5243)(331.157, 132.95)(351.1305, 917.69)(352.1443, 201.28)" Tyr Phe FindByFormula + 328.1409 8.311429 Tyr Trp Val "Tyr Trp Val [ C25 H30 N4 O5, mfg=72.28, db=72.25, tgt=, overall=72.27, METLIN ID=21140 ]" "(467.2289, 5878.7563)(468.22787, 1614.0566)" Tyr Trp Val FindByFormula + 466.2212 7.816 Tyr Tyr "Tyr Tyr [ C18 H20 N2 O5, db=82.01, tgt=, overall=82.01, METLIN ID=23766 ]" "(323.1617, 1999.49)(324.1721, 137.54)(361.117, 755.95)(345.14362, 4725.85)(346.14645, 1003.415)" Tyr Tyr FindByFormula + 322.1536 8.0505 Tyr Tyr Tyr "Tyr Tyr Tyr [ C27 H29 N3 O7, db=64.11, tgt=, overall=64.11, METLIN ID=16919 ]" "(530.1875, 3226.135)(531.202, 1157.205)" Tyr Tyr Tyr FindByFormula + 529.1802 7.745 Tyr Tyr Tyr - 7.7312503 "Tyr Tyr Tyr [ C27 H29 N3 O7, db=68.26, tgt=, overall=68.26, METLIN ID=16919 ]" "(506.1947, 1532.885)(507.20023, 469.79752)" Tyr Tyr Tyr - 7.7312503 FindByFormula - 507.2036 7.7312503 Tyr-Abu-OH "Tyr-Abu-OH [ C19 H20 N2 O7, db=97.31, tgt=, overall=97.31, METLIN ID=65284 ]" "(389.13412, 10301.625)(390.13635, 2407.4756)(391.13705, 329.13998)(411.11865, 2572.4775)" Tyr-Abu-OH FindByFormula + 388.1284 1.8403333 Tyramine-O-sulfate "Tyramine-O-sulfate [ C8 H11 N O4 S, db=98.53, tgt=, overall=98.53, CAS ID=30223-92-8, HMP ID=HMDB06409, METLIN ID=58408 ]" 30223-92-8 "(216.03389, 23700.85)(217.03618, 2498.1199)(218.0316, 1104.9066)" Tyramine-O-sulfate FindByFormula HMDB06409 - 217.0402 1.4136667 TyrMe-HoPhe-OH "TyrMe-HoPhe-OH [ C26 H26 N2 O7, db=64.73, tgt=, overall=64.73, METLIN ID=65360 ]" "(501.16235, 3042.0752)(502.16785, 1220.6)" TyrMe-HoPhe-OH FindByFormula + 500.1559 20.773998 Tyr-Phe4Cl-OH "Tyr-Phe4Cl-OH [ C24 H21 Cl N2 O7, db=71.54, tgt=, overall=71.54, METLIN ID=64977 ]" "(485.1129, 3241.5693)(486.1132, 1394.8313)(487.10974, 1057.2596)(488.1087, 239.0669)" Tyr-Phe4Cl-OH FindByFormula + 484.1048 19.4535 Tyr-Thr-OH "Tyr-Thr-OH [ C19 H20 N2 O8, db=91.14, tgt=, overall=91.14, CAS ID=, KEGG ID=, METLIN ID=65118 ]" "(854.55304, 503.67667)(854.2211, 256.55)(855.222, 460.67)(891.1689, 276.45248)(875.19867, 332.06497)(427.1094, 17905.36)(428.11243, 3646.2097)(429.1133, 622.58875)" Tyr-Thr-OH FindByFormula + 426.1022 1.2574999 Tyr-Thr-OH + 1.2585262 "Tyr-Thr-OH [ C19 H20 N2 O8, db=74.88, tgt=, overall=74.88, CAS ID=, KEGG ID=, METLIN ID=65118 ]" "(405.12793, 665.12994)(427.10928, 16858.41)(428.11246, 3469.431)" Tyr-Thr-OH + 1.2585262 FindByFormula + 404.1191 1.2585262 Tyr-Tyr-OH "Tyr-Tyr-OH [ C24 H22 N2 O8, db=70.49, tgt=, overall=70.49, CAS ID=, KEGG ID=, METLIN ID=65164 ]" "(467.14548, 2155.95)(468.151, 676.32)" Tyr-Tyr-OH FindByFormula + 466.1375 13.575 UDP-L-Ara4O "UDP-L-Ara4O [ C14 H20 N2 O16 P2, db=62.21, tgt=, overall=62.21, CAS ID=, KEGG ID=C16155, METLIN ID=63217 ]" "(535.0348, 3230.2148)(536.03845, 813.22003)(537.0371, 1182.95)(572.99286, 599.14)(557.0188, 8290.925)(558.02026, 2594.03)(559.01587, 1791.87)" UDP-L-Ara4O FindByFormula + C16155 534.0304 9.5165 Ulexone B "Ulexone B [ C25 H22 O5, db=78.94, tgt=, overall=78.94, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(213.06902, 7845.339)(213.57056, 2113.0886)(214.07057, 482.12573)(425.13718, 341854.9)(426.14026, 84962.58)(427.13788, 39779.582)(428.13962, 8419.086)(429.1423, 1729.86)" Ulexone B FindByFormula + LMPK12050212 424.1298 11.8285885 Ulexone B + 11.834236 "Ulexone B [ C25 H22 O5, db=80.09, tgt=, overall=80.09, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(213.0688, 6425.412)(213.57059, 1659.7551)(214.06876, 372.7475)(425.13635, 334330.2)(426.1396, 82373.26)(427.13724, 38460.156)(428.13904, 7992.6465)(429.14346, 1617.4421)" Ulexone B + 11.834236 FindByFormula + LMPK12050212 424.1291 11.834236 Ulexone B + 12.409266 "Ulexone B [ C25 H22 O5, db=82.12, tgt=, overall=82.12, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(213.06856, 1582.3901)(213.57072, 492.67166)(214.06491, 103.045)(425.136, 64602.97)(426.13925, 16251.601)(427.13724, 6988.072)(428.13943, 1502.351)(429.1413, 154.92)" Ulexone B + 12.409266 FindByFormula + LMPK12050212 424.1291 12.409266 Ulexone B + 12.409454 "Ulexone B [ C25 H22 O5, db=82.98, tgt=, overall=82.98, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(213.06918, 2132.5962)(213.5696, 542.69745)(214.0689, 152.99124)(425.1365, 75424.84)(426.13983, 19167.936)(427.13788, 8223.169)(428.14, 1699.7546)(429.1434, 471.045)" Ulexone B + 12.409454 FindByFormula + LMPK12050212 424.1295 12.409454 Ulexone B + 12.411834 "Ulexone B [ C25 H22 O5, db=82.42, tgt=, overall=82.42, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(213.06921, 2324.6301)(213.56914, 569.10834)(214.06702, 122.75)(425.1368, 73600.28)(426.14014, 18552.775)(427.1381, 8021.912)(428.14005, 1595.1266)" Ulexone B + 12.411834 FindByFormula + LMPK12050212 424.13 12.411834 Ulexone B + 12.4244995 "Ulexone B [ C25 H22 O5, db=81.48, tgt=, overall=81.48, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(425.13684, 92282.83)(426.1401, 22813.574)(427.13806, 10219.12)(428.1407, 1709.4451)" Ulexone B + 12.4244995 FindByFormula + LMPK12050212 424.1296 12.4244995 Ulexone B + 13.1102495 "Ulexone B [ C25 H22 O5, db=80.43, tgt=, overall=80.43, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(213.06895, 678.86835)(213.56795, 216.91833)(214.072, 58.236664)(425.13657, 22306.377)(426.1398, 5432.454)(427.13757, 2495.5261)(428.1394, 568.916)(429.13394, 174.73334)" Ulexone B + 13.1102495 FindByFormula + LMPK12050212 424.1292 13.1102495 Ulexone B + 13.112 "Ulexone B [ C25 H22 O5, db=79.89, tgt=, overall=79.89, Lipid ID=LMPK12050212, METLIN ID=47723 ]" "(213.068, 195.39)(213.559, 98.09)(214.0765, 29.11)(425.13617, 16564.16)(426.13947, 4062.2288)(427.137, 1887.9402)(428.13928, 411.31998)" Ulexone B + 13.112 FindByFormula + LMPK12050212 424.1296 13.112 Unanisoflavan "Unanisoflavan [ C22 H26 O5, db=84.84, tgt=, overall=84.84, Lipid ID=LMPK12080009, METLIN ID=48254 ]" "(369.17172, 3714.652)(370.17407, 1147.8093)(371.17386, 316.7177)" Unanisoflavan FindByFormula - LMPK12080009 370.1785 22.857706 Unanisoflavan - 11.35523 "Unanisoflavan [ C22 H26 O5, db=85.04, tgt=, overall=85.04, Lipid ID=LMPK12080009, METLIN ID=48254 ]" "(369.17194, 3559.1235)(370.17465, 869.587)(371.1732, 322.78165)" Unanisoflavan - 11.35523 FindByFormula - LMPK12080009 370.1785 11.35523 Unanisoflavan - 9.922334 "Unanisoflavan [ C22 H26 O5, db=85.97, tgt=, overall=85.97, Lipid ID=LMPK12080009, METLIN ID=48254 ]" "(369.17172, 2582.45)(370.17526, 608.54663)(371.1759, 269.93)" Unanisoflavan - 9.922334 FindByFormula - LMPK12080009 370.1795 9.922334 Unanisoflavan - 9.922334 :1 "Unanisoflavan [ C22 H26 O5, db=80.78, tgt=, overall=80.78, Lipid ID=LMPK12080009, METLIN ID=48254 ]" "(369.17172, 2497.5066)(370.17532, 604.1567)" Unanisoflavan - 9.922334 :1 FindByFormula - LMPK12080009 370.1803 9.922334 Undecaprenyl phosphate "Undecaprenyl phosphate [ C55 H91 O4 P, db=60.90, tgt=, overall=60.90, CAS ID=72983-15-4, Lipid ID=LMPR03020001, KEGG ID=C17556, METLIN ID=3911 ]" 72983-15-4 "(424.34116, 5832.496)(424.8317, 380.12332)(425.34372, 1733.2301)" Undecaprenyl phosphate FindByFormula + C17556 LMPR03020001 846.6669 14.1033325 Undecaprenyl phosphate alpha-L-Ara4FN "Undecaprenyl phosphate alpha-L-Ara4FN [ C61 H100 N O8 P, db=55.17, tgt=, overall=55.17, CAS ID=, KEGG ID=C16156, METLIN ID=63220 ]" "(1006.7238, 1922.5599)(1007.725, 1210.5801)(1008.7254, 574.982)(1009.7184, 69.4)(1044.6814, 2079.148)(1045.6777, 1021.06396)(1046.6735, 568.75)" Undecaprenyl phosphate alpha-L-Ara4FN FindByFormula + C16156 1005.7195 25.125502 Uracil "Uracil [ C4 H4 N2 O2, mfg=84.65, db=84.64, tgt=, overall=84.65, CAS ID=66-22-8, Lipid ID=, KEGG ID=C00106, HMP ID=HMDB00300, METLIN ID=258, AGILENTID=5773 ]" 66-22-8 "(113.03493, 4391.842)(114.035126, 199.51555)" Uracil FindByFormula HMDB00300 + C00106 112.0272 1.1188889 Uscharidin "Uscharidin [ C29 H38 O9, db=84.38, tgt=, overall=84.38, CAS ID=24321-47-9, KEGG ID=C08883, METLIN ID=67242 ]" 24321-47-9 "(531.2612, 9041.03)(532.2645, 2925.0503)(533.2725, 661.2708)" Uscharidin FindByFormula + C08883 530.2527 24.013771 Uscharidin + 23.994183 "Uscharidin [ C29 H38 O9, db=67.97, tgt=, overall=67.97, CAS ID=24321-47-9, KEGG ID=C08883, METLIN ID=67242 ]" 24321-47-9 "(509.2847, 3815.0015)(510.2877, 1445.5013)(511.28503, 830.26495)(547.2367, 959.7839)(548.2418, 566.97375)(531.2612, 7268.578)(532.2642, 2401.9377)" Uscharidin + 23.994183 FindByFormula + C08883 508.2734 23.994183 Ustiloxin D "Ustiloxin D [ C23 H34 N4 O8, db=80.18, tgt=, overall=80.18, CAS ID=158243-18-6, HMP ID=HMDB41054, METLIN ID=95487 ]" 158243-18-6 "(517.2265, 11473.924)(518.2296, 2670.066)" Ustiloxin D FindByFormula HMDB41054 + 516.214 7.7921996 Val Arg Phe "Val Arg Phe [ C20 H32 N6 O4, db=96.77, tgt=, overall=96.77, METLIN ID=19820 ]" "(421.256, 15419.12)(422.25992, 4170.0874)(423.2614, 766.25366)(443.2379, 2355.15)" Val Arg Phe FindByFormula + 420.2488 10.023334 Val Arg Phe + 10.021333 "Val Arg Phe [ C20 H32 N6 O4, db=95.78, tgt=, overall=95.78, METLIN ID=19820 ]" "(421.25552, 14331.122)(422.2599, 3888.4993)(423.25873, 683.0301)(443.23715, 491.61502)(444.25262, 115.56)" Val Arg Phe + 10.021333 FindByFormula + 420.2474 10.021333 Val Arg Phe + 10.032582 "Val Arg Phe [ C20 H32 N6 O4, db=94.45, tgt=, overall=94.45, METLIN ID=19820 ]" "(421.2551, 9596.001)(422.2596, 2672.3557)(423.25873, 475.00146)(443.23505, 954.55194)(444.2373, 259.01334)" Val Arg Phe + 10.032582 FindByFormula + 420.2466 10.032582 Val Arg Phe + 10.066167 "Val Arg Phe [ C20 H32 N6 O4, db=91.03, tgt=, overall=91.03, METLIN ID=19820 ]" "(421.25565, 9961.246)(422.26062, 2802.1985)(423.2611, 761.1699)(443.2384, 677.92)" Val Arg Phe + 10.066167 FindByFormula + 420.2499 10.066167 Val Arg Phe + 10.7082 "Val Arg Phe [ C20 H32 N6 O4, db=87.14, tgt=, overall=87.14, METLIN ID=19820 ]" "(421.25537, 5336.476)(422.25946, 1569.292)(423.2613, 578.96497)" Val Arg Phe + 10.7082 FindByFormula + 420.2471 10.7082 Val Arg Phe + 11.4275 "Val Arg Phe [ C20 H32 N6 O4, db=75.17, tgt=, overall=75.17, METLIN ID=19820 ]" "(421.25427, 764.675)(422.25705, 261.345)(423.2679, 68.77)(443.2414, 216.09)" Val Arg Phe + 11.4275 FindByFormula + 420.247 11.4275 Val Asp "Val Asp [ C9 H16 N2 O5, db=74.07, tgt=, overall=74.07, METLIN ID=23822 ]" "(233.11334, 3386.395)(234.1155, 610.31006)" Val Asp FindByFormula + 232.1065 11.038 Val Ile "Val Ile [ C11 H22 N2 O3, db=81.10, tgt=, overall=81.10, METLIN ID=23923 ]" "(231.17021, 6426.484)(232.17114, 872.61005)(253.15149, 849.21)" Val Ile FindByFormula + 230.1644 4.488333 Val Ile + 3.4983332 "Val Ile [ C11 H22 N2 O3, db=93.16, tgt=, overall=93.16, METLIN ID=23923 ]" "(231.17067, 28346.344)(232.17157, 3642.1199)(233.17374, 833.29)" Val Ile + 3.4983332 FindByFormula + 230.1649 3.4983332 Val Ile + 3.5095 "Val Ile [ C11 H22 N2 O3, db=89.20, tgt=, overall=89.20, METLIN ID=23923 ]" "(231.1708, 26006.014)(232.16995, 3310.86)(233.17325, 818.71497)(269.1226, 1311.61)(253.1508, 64.19)" Val Ile + 3.5095 FindByFormula + 230.1629 3.5095 Val Ile + 3.5135 "Val Ile [ C11 H22 N2 O3, db=85.49, tgt=, overall=85.49, METLIN ID=23923 ]" "(231.17072, 25883.691)(232.16972, 3284.6301)(233.172, 1125.6)(253.1483, 2807.85)" Val Ile + 3.5135 FindByFormula + 230.1635 3.5135 Val Ile + 4.488333 "Val Ile [ C11 H22 N2 O3, db=81.09, tgt=, overall=81.09, METLIN ID=23923 ]" "(231.17021, 6050.437)(232.17114, 822.87665)(253.1505, 284.24)" Val Ile + 4.488333 FindByFormula + 230.1637 4.488333 Val Leu Ser "Val Leu Ser [ C14 H27 N3 O5, db=79.03, tgt=, overall=79.03, METLIN ID=17706 ]" "(673.351, 294.58)(318.20206, 6408.1387)(319.20267, 1241.8048)(320.20108, 434.4325)(356.16022, 744.845)(340.1854, 6247.037)(341.1884, 2063.8167)(342.1757, 129.97)" Val Leu Ser FindByFormula + 317.1951 7.214333 Val Leu Ser + 7.2295 "Val Leu Ser [ C14 H27 N3 O5, db=23.23, tgt=, overall=23.23, METLIN ID=17706 ]" "(340.1847, 8571.439)(340.69043, 209.32)(341.19205, 1862.4199)(679.3475, 3028.85)(680.349, 2953.0)(701.3656, 101.66)(702.3616, 50.51)" Val Leu Ser + 7.2295 FindByFormula + 678.3601 7.2295 Val Phe Arg "Val Phe Arg [ C20 H32 N6 O4, db=89.04, tgt=, overall=89.04, METLIN ID=20797 ]" "(421.2564, 5709.032)(422.2605, 1601.425)(423.2615, 528.7866)(443.23816, 613.28503)" Val Phe Arg FindByFormula + 420.2492 10.716 Val Phe Arg + 14.247544 "Val Phe Arg [ C20 H32 N6 O4, db=79.92, tgt=, overall=79.92, METLIN ID=20797 ]" "(421.25647, 2421.8088)(422.25818, 660.94543)" Val Phe Arg + 14.247544 FindByFormula + 420.2476 14.247544 Val Pro "Val Pro [ C10 H18 N2 O3, db=79.95, tgt=, overall=79.95, METLIN ID=23715 ]" "(215.1396, 4395.6343)(216.13892, 709.32544)(217.13754, 175.026)(237.1224, 1706.685)(238.1186, 620.31)" Val Pro FindByFormula + 214.1322 1.4718182 Val Ser Lys "Val Ser Lys [ C14 H28 N4 O5, db=52.58, tgt=, overall=52.58, METLIN ID=20010 ]" "(333.2131, 1143.4967)(334.21194, 357.21335)" Val Ser Lys FindByFormula + 332.2055 2.372 Valnemulin "Valnemulin [ C31 H52 N2 O5 S, db=78.83, tgt=, overall=78.83, CAS ID=101312-92-9, KEGG ID=C12066, METLIN ID=69285 ]" 101312-92-9 "(565.3697, 14610.7)(566.37317, 4290.415)(567.3749, 1190.525)(568.3777, 326.53998)" Valnemulin FindByFormula + C12066 564.3625 18.168999 Valyl-Isoleucine "Valyl-Isoleucine [ C11 H22 N2 O3, db=77.95, tgt=, overall=77.95, CAS ID=, HMP ID=HMDB29130, METLIN ID=86022 ]" "(231.17096, 3375.37)(232.17175, 672.71497)(233.1639, 92.82)" Valyl-Isoleucine FindByFormula HMDB29130 + 230.1635 4.63 Vardenafil "Vardenafil [ C23 H32 N6 O4 S, db=91.15, tgt=, overall=91.15, CAS ID=224785-90-4, HMP ID=HMDB15000, METLIN ID=85438 ]" 224785-90-4 "(511.20926, 1835.4889)(512.2116, 595.93884)(513.20807, 253.52798)" Vardenafil FindByFormula HMDB15000 + 510.2029 13.579111 Veranisatin B "Veranisatin B [ C16 H20 O9, db=96.46, tgt=, overall=96.46, CAS ID=153445-93-3, HMP ID=HMDB40664, METLIN ID=95142 ]" 153445-93-3 "(357.11755, 14339.917)(358.12134, 2975.9065)(359.12732, 389.72668)" Veranisatin B FindByFormula HMDB40664 + 356.1108 7.2910004 Verapamil "Verapamil [ C27 H38 N2 O4, db=74.69, tgt=, overall=74.69, CAS ID=52-53-9, KEGG ID=C07188, HMP ID=HMDB01850, METLIN ID=3009 ]" 52-53-9 "(453.2741, 1892.085)(454.2778, 518.745)" Verapamil FindByFormula HMDB01850 - C07188 454.2824 8.8465 Vignatic acid B "Vignatic acid B [ C27 H41 N3 O7, db=79.00, tgt=, overall=79.00, CAS ID=181485-20-1, HMP ID=HMDB33617, METLIN ID=89417 ]" 181485-20-1 "(518.2866, 4309.825)(519.29016, 1240.715)" Vignatic acid B FindByFormula HMDB33617 - 519.2928 6.8845 Villosin "Villosin [ C23 H22 O8, mfg=72.81, db=72.80, tgt=, overall=72.80, Lipid ID=LMPK12060026, METLIN ID=48037 ]" "(427.14062, 27634.693)(428.14157, 6468.797)" Villosin FindByFormula + LMPK12060026 426.1323 11.791333 Vinaginsenoside R24 "Vinaginsenoside R24 [ C48 H82 O19, db=8.53, tgt=, overall=8.53, CAS ID=218917-14-7, HMP ID=HMDB34619, METLIN ID=90082 ]" 218917-14-7 "(963.552, 17918.42)(964.0512, 8494.28)(964.55884, 2786.5667)(965.06055, 1455.91)" Vinaginsenoside R24 FindByFormula HMDB34619 + 1925.0948 9.675667 Vitamin E succinate(tocopherol succinate) "Vitamin E succinate(tocopherol succinate) [ C33 H54 O5, db=69.78, tgt=, overall=69.78, CAS ID=4345-03-3, METLIN ID=85011 ]" 3/3/4345 "(553.3872, 1484.91)(554.3887, 226.86002)(555.39343, 130.125)" Vitamin E succinate(tocopherol succinate) FindByFormula + 552.38 24.640999 W123 "W123 [ C17 H26 N2 O3, db=95.27, tgt=, overall=95.27, METLIN ID=64710 ]" "(635.3734, 79686.91)(636.3772, 33422.047)(637.37573, 10165.883)(638.3727, 3053.9)(307.20248, 113416.3)(308.20563, 22529.752)(309.2066, 3390.368)(345.15543, 22654.027)(346.15897, 4593.246)(329.18445, 391735.88)(330.18814, 67739.71)(331.18997, 9672.577)(332.19345, 2006.4535)" W123 FindByFormula + 306.1949 9.8376665 W123 - 9.838166 "W123 [ C17 H26 N2 O3, db=85.41, tgt=, overall=85.41, METLIN ID=64710 ]" "(341.16318, 149.44667)(305.18686, 4602.2065)(306.18997, 948.15656)" W123 - 9.838166 FindByFormula - 306.1954 9.838166 W123 + 9.841 "W123 [ C17 H26 N2 O3, db=96.74, tgt=, overall=96.74, METLIN ID=64710 ]" "(657.3582, 7802.813)(658.36395, 4770.52)(659.3533, 1408.525)(695.3226, 1110.4)(679.34204, 3290.3098)(680.33594, 1209.015)(681.3169, 896.64)(329.18408, 511515.34)(330.18784, 86720.23)(331.18982, 11685.919)(332.1944, 816.265)(351.16678, 6842.872)(352.169, 1847.0156)(353.16968, 576.7767)" W123 + 9.841 FindByFormula + 328.1763 9.841 Westiellamide "Westiellamide [ C27 H42 N6 O6, db=69.04, tgt=, overall=69.04, CAS ID=131998-54-4, KEGG ID=C15739, METLIN ID=71070 ]" 131998-54-4 "(585.2791, 314.72)(586.277, 120.4)(569.30365, 3542.34)(570.3082, 1264.4)(274.16693, 1170.965)" Westiellamide FindByFormula + C15739 273.1583 2.909 Xamoterol "Xamoterol [ C16 H25 N3 O5, db=79.84, tgt=, overall=79.84, CAS ID=81801-12-9, KEGG ID=C11775, METLIN ID=69212 ]" 81801-12-9 "(338.17078, 1552.5325)(339.1737, 297.55002)" Xamoterol FindByFormula - C11775 339.1786 8.00225 Xanthosine "Xanthosine [ C10 H12 N4 O6, db=97.80, tgt=, overall=97.80, CAS ID=146-80-5, Lipid ID=, KEGG ID=C01762, HMP ID=HMDB00299, METLIN ID=3408, AGILENTID=7542 ]" 146-80-5 "(591.4771, 808.37335)(592.1554, 527.48)(285.08463, 1835.52)(286.08887, 404.14752)(323.03992, 6238.935)(324.0468, 947.7251)(325.04022, 646.3275)(307.06464, 34340.098)(308.0685, 4091.24)(309.0674, 742.5)" Xanthosine FindByFormula HMDB00299 + C01762 284.0768 1.5018334 Xanthosine - 1.6273124 "Xanthosine [ C10 H12 N4 O6, db=93.80, tgt=, overall=93.80, CAS ID=146-80-5, Lipid ID=, KEGG ID=C01762, HMP ID=HMDB00299, METLIN ID=3408, AGILENTID=7542 ]" 146-80-5 "(283.06976, 8735.014)(284.0724, 1143.78)(285.07248, 207.54437)" Xanthosine - 1.6273124 FindByFormula HMDB00299 - C01762 284.0782 1.6273124 Xanthosine + 1.5550833 "Xanthosine [ C10 H12 N4 O6, db=92.84, tgt=, overall=92.84, CAS ID=146-80-5, Lipid ID=, KEGG ID=C01762, HMP ID=HMDB00299, METLIN ID=3408, AGILENTID=7542 ]" 146-80-5 "(307.06357, 23761.23)(308.06754, 3030.16)(309.0684, 603.991)(345.02136, 2996.49)(346.0276, 256.956)(347.01898, 461.37003)(329.04706, 5838.0645)(330.05148, 824.92554)(331.0472, 207.24333)" Xanthosine + 1.5550833 FindByFormula HMDB00299 + C01762 306.0578 1.5550833 Xanthotoxol glucoside "Xanthotoxol glucoside [ C17 H16 O9, db=71.95, tgt=, overall=71.95, CAS ID=, HMP ID=HMDB38626, METLIN ID=93287 ]" "(365.0871, 4464.395)(366.0889, 1161.7949)" Xanthotoxol glucoside FindByFormula HMDB38626 + 364.0796 1.8775 Xeniolit A "Xeniolit A [ C20 H28 O4, db=77.81, tgt=, overall=77.81, Lipid ID=LMPR0104420002, METLIN ID=53705 ]" "(355.18808, 1765.0071)(356.19165, 494.77856)" Xeniolit A FindByFormula + LMPR0104420002 354.1796 11.526284 Xeniolit A - 10.863 "Xeniolit A [ C20 H28 O4, db=75.76, tgt=, overall=75.76, Lipid ID=LMPR0104420002, METLIN ID=53705 ]" "(331.19, 1678.035)(332.1929, 406.72)" Xeniolit A - 10.863 FindByFormula - LMPR0104420002 332.1967 10.863 Xestoaminol C "Xestoaminol C [ C14 H31 N O, db=86.69, tgt=, overall=86.69, Lipid ID=LMSP01080033, METLIN ID=53933 ]" "(230.24815, 6157.108)(231.25162, 1009.7769)" Xestoaminol C FindByFormula + LMSP01080033 229.2403 10.930683 Xylylcarb "Xylylcarb [ C10 H13 N O2, db=81.02, tgt=, overall=81.02, CAS ID=2425-10-7, KEGG ID=C14579, METLIN ID=70174 ]" 10/7/2425 "(180.10245, 3564.685)(181.10365, 366.485)" Xylylcarb FindByFormula + C14579 179.0951 9.868 Xylylcarb + 8.594501 "Xylylcarb [ C10 H13 N O2, db=82.53, tgt=, overall=82.53, CAS ID=2425-10-7, KEGG ID=C14579, METLIN ID=70174 ]" 10/7/2425 "(180.10205, 13843.679)(181.10376, 1861.2216)" Xylylcarb + 8.594501 FindByFormula + C14579 179.0949 8.594501 Xylylcarb + 9.611333 "Xylylcarb [ C10 H13 N O2, db=75.43, tgt=, overall=75.43, CAS ID=2425-10-7, KEGG ID=C14579, METLIN ID=70174 ]" 10/7/2425 "(180.10228, 2590.05)(181.10667, 439.83667)" Xylylcarb + 9.611333 FindByFormula + C14579 179.0952 9.611333 Yellow OB "Yellow OB [ C17 H15 N3, db=74.78, tgt=, overall=74.78, CAS ID=131-79-3, KEGG ID=C19553, METLIN ID=73226 ]" 131-79-3 "(262.13437, 2619.2249)(263.13437, 389.68753)" Yellow OB FindByFormula + C19553 261.127 4.683 Zafirlukast "Zafirlukast [ C31 H33 N3 O6 S, db=41.62, tgt=, overall=41.62, CAS ID=107753-78-6, KEGG ID=C07206, METLIN ID=585 ]" 107753-78-6 "(576.2144, 1278.065)(577.21423, 685.795)" Zafirlukast FindByFormula + C07206 575.2083 1.221 Zeanoside B "Zeanoside B [ C16 H17 N O9, db=76.98, tgt=, overall=76.98, CAS ID=113202-67-8, HMP ID=HMDB38844, METLIN ID=93479 ]" 113202-67-8 "(390.08038, 4551.665)(391.08322, 926.83496)(392.0789, 538.60004)(428.0331, 772.2125)(412.06116, 2169.1199)(413.06793, 477.8525)" Zeanoside B FindByFormula HMDB38844 + 389.0728 1.062 Zizyphine F "Zizyphine F [ C32 H47 N5 O6, db=57.69, tgt=, overall=57.69, CAS ID=55839-64-0, KEGG ID=C10016, METLIN ID=68095 ]" 55839-64-0 "(596.34796, 3448.163)(597.34973, 796.8067)" Zizyphine F FindByFormula - C10016 597.3557 12.013667