Metabolite_name RefMet_name 1h_DHA_R1_troph_b 1h_DHA_R1_troph_c 1h_DHA_R1_troph_d 1h_DMSO_R1_troph_c 1h_DMSO_R1_troph_d 5h_DMSO_R1_troph_b 5h_DMSO_R1_troph_c 5h_DMSO_R1_troph_d 3h_OZ277_R1_troph_b 3h_OZ277_R1_troph_c 3h_OZ277_R1_troph_d 5h_OZ439_R1_troph_b 5h_OZ439_R1_troph_c 5h_OZ439_R1_troph_d 1h_DHA_S_troph_b 1h_DHA_S_troph_c 1h_DHA_S_troph_d 1h_DMSO_S_troph_c 1h_DMSO_S_troph_d 5h_DMSO_S_troph_b 5h_DMSO_S_troph_c 5h_DMSO_S_troph_d 3h_OZ277_S_troph_c 3h_OZ277_S_troph_d 3h_OZ277_S_troph_e 5h_OZ439_S_troph_c 5h_OZ439_S_troph_d 5h_OZ439_S_troph_e
Factors - parasite_line:Cam3.IIR539T | treatment:DHA | treatment_duration_(h):1 parasite_line:Cam3.IIR539T | treatment:DHA | treatment_duration_(h):1 parasite_line:Cam3.IIR539T | treatment:DHA | treatment_duration_(h):1 parasite_line:Cam3.IIR539T | treatment:DMSO | treatment_duration_(h):1 parasite_line:Cam3.IIR539T | treatment:DMSO | treatment_duration_(h):1 parasite_line:Cam3.IIR539T | treatment:DMSO | treatment_duration_(h):5 parasite_line:Cam3.IIR539T | treatment:DMSO | treatment_duration_(h):5 parasite_line:Cam3.IIR539T | treatment:DMSO | treatment_duration_(h):5 parasite_line:Cam3.IIR539T | treatment:OZ277 | treatment_duration_(h):3 parasite_line:Cam3.IIR539T | treatment:OZ277 | treatment_duration_(h):3 parasite_line:Cam3.IIR539T | treatment:OZ277 | treatment_duration_(h):3 parasite_line:Cam3.IIR539T | treatment:OZ439 | treatment_duration_(h):5 parasite_line:Cam3.IIR539T | treatment:OZ439 | treatment_duration_(h):5 parasite_line:Cam3.IIR539T | treatment:OZ439 | treatment_duration_(h):5 parasite_line:Cam3.IIrev | treatment:DHA | treatment_duration_(h):1 parasite_line:Cam3.IIrev | treatment:DHA | treatment_duration_(h):1 parasite_line:Cam3.IIrev | treatment:DHA | treatment_duration_(h):1 parasite_line:Cam3.IIrev | treatment:DMSO | treatment_duration_(h):1 parasite_line:Cam3.IIrev | treatment:DMSO | treatment_duration_(h):1 parasite_line:Cam3.IIrev | treatment:DMSO | treatment_duration_(h):5 parasite_line:Cam3.IIrev | treatment:DMSO | treatment_duration_(h):5 parasite_line:Cam3.IIrev | treatment:DMSO | treatment_duration_(h):5 parasite_line:Cam3.IIrev | treatment:OZ277 | treatment_duration_(h):3 parasite_line:Cam3.IIrev | treatment:OZ277 | treatment_duration_(h):3 parasite_line:Cam3.IIrev | treatment:OZ277 | treatment_duration_(h):3 parasite_line:Cam3.IIrev | treatment:OZ439 | treatment_duration_(h):5 parasite_line:Cam3.IIrev | treatment:OZ439 | treatment_duration_(h):5 parasite_line:Cam3.IIrev | treatment:OZ439 | treatment_duration_(h):5
1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 3900338.4510 4289523.1920 4443578.7710 3815409.8360 5136350.5970 4171504.3160 6774285.0280 5471392.6990 3641996.0900 5691970.5390 6692718.5220 4390620.2700 5142295.8810 5188187.3110 4560589.3890 4233090.8190 4713292.5850 5467537.7920 3590960.6000 4990959.7910 4294882.2580 4395115.4410 4337616.5120 4314579.6470 6728812.1600 4847319.8920 3329798.7600 6961698.1830
1-(11Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine 12802614.4900 10303775.6400 10838599.2200 9605493.6480 12284284.4300 12007026.8900 17431168.4800 13243733.6200 10790747.3900 14099665.9100 16078997.7700 12424120.9900 11226513.9200 13046620.5500 13334402.1600 11817263.0200 12848425.5700 14893717.3300 10051447.8200 14041307.7000 12130485.3200 12380038.1600 11460966.0400 6871036.6900 12290476.1700 14623140.4100 10162290.1300 18134191.7900
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol 637003.6858 709678.0210 621645.5773 706768.5903 650847.8655 601251.9189 1008302.0190 895462.1727 700874.6734 893341.2177 1134292.7220 1067393.3880 957303.7869 688506.9624 518824.2356 249723.5720 262936.2733 303968.5672 216037.5441 634315.5645 259839.7904 256155.3155 294752.2660 234015.9570 1111960.7930 276706.0545 235289.5402 1229198.6730
1_2-dihexadecanoyl-sn-glycero-3-phosphocholine PC 16:0/16:0 3958928.3360 3868058.8410 3520407.1650 2062621.5530 2818913.6900 2261081.3700 2751645.4720 3177854.2820 4707943.3020 4090771.9520 5165500.5580 2412583.6350 2641369.7850 3102906.9400 3939321.2330 3448942.6690 5280712.5260 2462405.0100 2541115.2150 4390965.0550 3372990.9460 4762865.9140 3672866.6000 4803130.2400 4695548.8120 2675665.4600 2945968.3620 3308104.6750
1(2H)-Isoquinolinone 125307.9098 128912.0263 129296.9024 126432.9786 118118.1637 83746.5996 137165.9737 134248.1178 142475.8588 117058.9011 116954.9392 162423.6102 131113.7043 101210.9209 119288.8894 123344.1023 151056.5760 150277.8195 151980.6425 108376.3290 110522.3271 166162.1100 154857.9726 127367.8273 142453.4654 147823.8184 135583.5775 95071.7428
1_4-Lactone gamma-Butyrolactone 320158.4098 64969.7731 113219.9608 51795.5845 104027.3098 76638.8196 41154.0117 86350.1622 286742.7401 71812.5746 92819.7667 61683.7273 93096.3804 80358.0297 265807.0547 80896.6045 102763.5061 131232.3670 131217.7899 101331.0542 83239.3749 102816.4306 102660.5021 114081.1572 141562.2111 90066.8178 98239.6362 133182.4440
1-(9Z-hexadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 6196829.7380 7329679.2410 7133567.8560 6776342.4020 7851810.6660 5617155.2620 11591727.0400 7959617.6790 5536113.4780 9624921.6380 10461880.6500 6219714.6960 8901021.7520 8129552.5030 6634992.3790 5540082.1580 8539971.4860 5547380.9440 4356434.2770 7169259.1750 5613176.1930 8205374.1270 5521027.1030 8172228.7950 11310800.5300 6248179.0890 6263899.6700 11367702.3100
1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine 13387876.8600 13738367.5200 15483713.1800 10170522.6900 14247237.1000 13441828.8500 23793544.9700 18929174.8200 13852986.5200 18405551.9000 19027984.2600 15962636.4600 16679392.1100 18553736.7600 12110471.5300 13798191.5100 14694905.8900 16960309.6900 11562943.7400 16567257.2300 14294301.6200 13315738.7200 15447389.0100 14982419.4600 25115320.8700 16889727.1700 14157121.4200 25171340.8400
1-(9Z-tetradecenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphocholine 4950726.3960 5748221.8400 6967670.9290 4764508.8880 6458747.4830 4727090.9720 6825678.6500 7357629.7880 4949778.5330 7498379.6310 8074605.8680 6535689.1870 7084271.0900 7080577.9870 4983431.0110 5949917.4770 5452760.6380 6424361.5020 4478787.6040 5836729.4160 5479525.7840 5193721.8320 5654002.4270 5695629.9400 10153002.0500 6949794.4410 4758912.1600 10194844.1400
1-deoxyxylonojirimycin 102111.2070 68642.0226 55214.3768 59065.9096 55909.3195 81530.1138 65591.3285 53838.6303 72228.5603 72951.0553 63714.0490 103846.1527 72973.5809 61540.6151 89988.5335 85336.0830 83239.9821 86991.1565 84691.3124 116734.9932 75368.6826 81395.0733 78127.5669 84366.5691 66362.2396 76296.5721 100968.7038 58568.2095
1-Methylhypoxanthine 1-Methylhypoxanthine 159089.4714 183275.0819 129848.0690 185382.4708 106821.3908 110668.6347 128118.5845 147908.3936 169470.9093 144903.8812 107226.1362 152776.9045 131137.1472 131213.3540 118417.0602 182180.3786 163089.9657 172049.4479 152363.7831 159346.5314 121250.0202 135882.6600 159947.4246 154830.5478 114896.3030 192742.8384 141796.8104 152159.3457
1-octadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphocholine 1643012.1910 1561922.5160 1274202.5910 1477959.2690 1196618.0830 1710820.8490 1486084.8990 1764422.9990 1535220.4110 1620480.1960 2274345.0960 1929852.2770 1445658.6460 1772490.1020 1362112.0790 1417661.8860 1741289.4150 1423387.6660 1441926.5740 1518096.9690 1382503.5440 1754029.3580 1401165.6530 1785327.2360 2015506.7270 1501982.5990 1612840.4210 1974596.7320
1-Pyrroline-2-carboxylate 1-Pyrroline-2-carboxylic acid 109722.3841 77382.9113 107801.7672 83484.8314 88711.6684 138338.3774 147519.7065 77098.1988 255683.9342 92633.6705 114737.3079 211287.1424 167587.4953 83747.7539 131683.7939 80169.2110 96362.1339 91805.4148 104303.0900 185671.1857 117937.3219 82144.3816 118711.6718 100707.4916 102057.3268 126023.6178 71210.0141 135837.1070
(1R_4S)-fenchan-2-one 1117142.7890 1264056.6770 648074.9624 1053549.6130 797269.7681 1516940.9700 1477975.8110 1124543.3140 1580788.1700 548698.2081 689229.1797 903471.9541 1125026.7020 645981.7404 1419106.8250 1752362.9780 1130105.1020 1550184.2420 1419667.3410 972131.1796 1593593.3320 1066729.4070 936226.2947 1650721.5470 1077945.6750 1501535.5880 1632384.6070 1503896.2670
1-tetradecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine 2084782.4980 1959608.5440 1783022.7050 1834071.7460 2141030.7830 2239634.1010 2316995.3640 2291167.5880 2010046.4710 2288672.5450 2895640.2030 2200304.7500 2098209.9920 2441305.2720 1891022.7510 1880077.0240 2644184.0550 2027749.8630 2217585.7500 2743819.5520 1866710.7170 2383687.0960 1976075.0270 2846944.2120 2507891.0340 2122799.2510 2056719.9670 2298078.6860
2_3-Dimethylmaleate Dimethyl maleate 1515207.8050 976316.5511 1830982.9540 901809.9550 1783872.1780 347125.2006 281170.2221 286130.1333 483901.4974 276419.5176 379841.2648 355608.8132 526421.3116 342098.9449 1763060.8040 516136.6799 860141.6004 555582.7338 714725.2962 413050.6040 418247.5772 511128.0045 422433.8566 460849.1018 322969.8342 377123.9822 544875.5396 224575.3028
(24R_24^R)-Fucosterol epoxide (3beta,24R,24'R)-Fucosterol epoxide 830894.7098 1376428.5810 1254519.0590 1229599.2420 1119542.3500 836294.6148 1117114.2360 1158771.9270 780432.7851 1160519.6500 1141236.6200 1006940.1120 1190090.5650 1045527.1600 806394.8302 1599952.0490 2003740.8190 1300017.8030 1764868.1620 1109692.6270 1047191.1110 1295847.6550 1981030.2940 1857315.3020 1449921.9460 1536147.1900 1535389.0520 1341280.0450
2_6-Diamino-7-hydroxy-azelaic acid 52614.4532 73172.3834 73799.0406 63562.7398 61056.6038 44736.1692 56049.5137 60833.0973 46206.2805 59115.4877 56143.7220 48497.9408 72504.2976 59217.4746 59202.8986 70403.6872 77371.9854 69302.4343 86225.8468 52534.2132 69051.0408 62494.4169 71125.2047 81668.7109 65244.4492 55920.4483 62307.3607 49153.2668
2-acetamidoglucal 114304.2569 199552.0824 53176.3029 134125.4453 42714.9928 212620.6824 82808.2162 151975.7207 131238.8652 87250.4819 163183.7693 119161.8798 111508.9658 172477.0817 83935.7235 106672.5933 144455.5892 77655.6985 137873.2017 180161.7717 93916.2767 211538.7062 105939.9913 166416.5620 135226.8686 84415.4596 120383.9563 136442.3836
2-Amino-2-deoxy-D-gluconate Glucosaminic acid 106557.5664 711563.8266 630774.9543 748855.9385 685144.7245 97104.9008 627106.1139 594975.4017 93431.6271 736868.9616 690554.6000 106739.6878 597061.9954 637879.5596 98896.8362 1010496.8080 182032.8462 1142621.8540 168616.5916 114446.1185 876801.8884 170709.8847 854409.3234 168042.3059 405883.9024 1074083.2810 176046.8272 360198.8988
2-amino-3_7-dideoxy-D-threo-hept-6-ulosonate 448655.0507 256404.0902 229522.4939 204318.7632 179535.2127 477461.5011 201657.6610 192708.5102 435384.1007 207874.7332 262114.3011 493022.0486 179783.7620 174735.8599 543180.0526 778681.3846 288979.9165 819473.6171 261838.2556 596988.9025 808241.6967 259980.6214 788124.3636 286559.2500 228260.3600 1015305.8420 272085.9881 256039.0559
2-Amino-9_10-epoxy-8-oxodecanoic acid 2-Amino-9,10-epoxy-8-oxodecanoic acid 103864.3306 341553.1237 314484.5831 288655.5523 312564.8513 109639.0109 328530.8158 388748.8562 117041.0009 361924.9944 325698.5311 97088.2087 294281.1858 297298.9848 111103.5715 303185.1175 319511.2763 297370.7262 238503.9234 115374.5558 272411.7476 267852.8546 292365.7511 346484.6479 195724.2467 272336.7972 253140.6321 186263.0306
2-Aminoacrylate 2-Aminoacrylic acid 183669.0852 178099.2459 162958.2184 197157.5246 139220.3302 188610.1920 198016.5078 191563.4164 210532.2892 176688.6678 203983.1071 180769.5597 170631.8728 185226.9572 148318.4807 213108.2009 265018.1799 218443.1547 219322.6387 204145.8251 199001.6158 184418.6401 266307.4251 245569.9657 233997.7524 201289.5156 221240.3274 200079.6100
2-Furanmethanol 2-Furanmethanol 124916.3670 149568.0241 129846.8421 145233.4875 128277.1561 122951.4127 220313.1376 146618.5405 110398.3229 170728.5249 227664.4560 149860.9342 175928.1938 162545.5877 93591.9725 162566.0381 178845.7202 120101.7853 180385.0634 130009.8215 109240.7167 168620.7195 144669.4808 215792.5489 192919.5633 168492.2678 200291.2043 231280.2877
2-Furoate 2-Furoic acid 59865.7569 63215.9913 79277.6656 79875.4183 77524.5796 65625.1689 84009.8093 69272.7690 49567.5465 94596.7864 74510.3346 54735.6679 71033.1669 62089.4009 65520.8215 74230.7909 70703.3844 75607.9850 57123.2270 72332.8865 72844.8348 51424.8487 85600.2079 64558.9286 82629.3778 66047.8584 52486.6023 64942.8840
2-Hydroxyadenine 2-Hydroxyadenine 664027.9931 387727.4280 505833.7622 380798.3186 478543.9168 1347495.4840 795994.3085 1272494.9650 822001.1319 512345.4490 785574.6309 1194967.9780 788079.2252 1207096.0340 582692.5595 398270.5813 300198.1500 369269.0108 308160.7874 1176614.0380 511659.3220 396349.0359 405019.4615 319156.5587 610932.5181 577717.5048 346510.8997 890123.7958
2-Methylbutyroylcarnitine CAR 4:0;2Me 379607.5102 570636.3503 508374.2317 522895.7813 500861.0660 451951.0055 568297.9272 481966.5558 386426.0970 545360.5661 538330.1115 511095.3604 474118.6873 537769.4883 479651.2889 511129.5417 874418.1631 567607.5400 910082.3643 553718.8762 461886.0555 967128.3109 479852.0507 905212.7184 503057.7619 503406.1782 798934.8077 563670.9025
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 261004.9583 265146.6024 176866.8957 247015.5608 180926.5345 228136.3193 240139.4304 207652.2535 207264.0325 240041.2714 216003.2111 215218.9982 248966.1142 290053.7465 186799.5543 219610.0437 296255.4096 214592.7234 293155.1756 214190.6999 217597.4449 276254.7259 219619.8052 254457.2408 254239.9385 248422.5246 243514.5123 234487.7729
3_5_7-Trimethyl-2E_4E_6E_8E-undecatetraene 11778405.3300 19834768.1000 2213681.0350 9524775.2140 12854173.9100 16084885.0800 22399051.4900 13578171.3400 11301120.5800 2007647.6290 5105026.6750 4236730.6260 18684126.7400 3745118.6410 16555272.2500 13183420.6000 5481057.9490 7023938.3790 10731620.9800 4140876.7350 13245178.5700 6624510.9130 10393174.1700 14301400.3900 7065755.5640 7147591.4250 17170766.0800 17412432.9100
3-Butynoate 3-Butynoic acid 289742.6213 114737.2509 151801.4772 92907.2644 162217.8147 76683.7339 80189.3738 95150.1017 261008.1291 127683.7013 84335.4843 106869.5071 121945.3763 80351.8424 233641.7550 155385.9194 200431.3757 140661.1836 211585.3856 95382.5068 99492.3452 149941.3472 128169.0488 127034.6009 128085.8265 121817.6028 120572.8456 204894.3479
3-deoxy-D-galactose 3-Deoxygalactose 397650.0747 382911.6204 358565.4358 395824.9883 295689.6718 163528.1311 138695.5451 131256.8651 291234.4343 282889.3224 227237.6648 171196.2536 143338.8267 161161.9964 460795.9933 332382.1463 243132.6757 388611.6472 239744.6962 194250.4178 165680.2893 230909.0798 212666.7672 201478.0247 272050.6642 196069.9227 177332.4993 167671.2409
3-Ethylmalate 1376992.3340 1332757.2080 1021079.6860 1355151.8220 1128227.9410 1261379.8030 1157939.9930 1333418.4810 1315222.2260 1393476.5250 1167718.1680 1619986.6400 1183876.5890 1043706.8620 1204222.7730 1531667.5650 1898491.8250 1546608.3250 1406477.0830 1315366.6740 1702333.6250 1556831.7250 1729754.8420 1343465.0400 1762362.9950 1888751.1370 1549711.5740 1543245.9980
3-Hydroxy-N6_N6_N6-trimethyl-L-lysine 3-Hydroxy-N6,N6,N6-trimethyl-lysine 183291.2022 150320.0789 152852.1923 208395.8008 127296.1349 170523.2272 188032.7653 150145.2803 185016.3070 165524.1677 135214.8924 219529.4998 166813.9560 131863.6670 155366.7108 208069.0860 204962.0085 181021.1199 193105.3052 198780.8986 201141.2326 194603.3358 166509.0278 187631.7129 236583.9013 229034.0456 260908.0603 238925.8146
3-Methyleneoxindole 3-Methyleneoxindole 121950.0812 195687.1335 148027.1666 133072.5995 106443.9182 103042.2612 145056.7232 116158.1936 115939.6429 130176.2209 140573.6002 135270.7012 127805.9674 143268.4683 110340.8895 57325.2900 151155.8484 64892.7203 138412.9947 120526.0186 57227.2857 128236.5581 47680.8499 142578.9794 134179.5619 86185.3565 135597.6492 158047.8972
3-propylphosphoenolpyruvate 106075.6051 92644.7350 51695.1803 61742.0725 60087.5988 103560.1468 80448.3560 58297.3279 108132.3571 78192.3898 61730.3509 107645.2652 76860.2602 60357.1947 83247.3480 63245.8220 62267.3797 34919.1448 40567.2100 98123.1679 50748.8074 51690.6124 70119.6006 45479.6770 80847.8433 47171.8804 33653.1301 73847.0555
4_8-Dimethyl-1_3E_7-nonatriene 318680.1422 374776.7359 97335.5979 279830.3284 133673.0794 270741.4182 378543.1260 216533.2052 365446.0679 116623.3427 144427.2489 167611.5772 248638.4297 308274.2469 329216.4817 331896.2546 321528.2555 272382.9942 232611.3262 442081.3170 223387.0145 145354.4026 367921.1418 275927.4800 430113.2163 330702.8441 362155.4575
4-amino-4-deoxy-L-arabinose 102484.4831 138748.9255 68297.9590 118974.9737 81308.5270 73311.7310 94899.5164 60621.1840 91851.1733 127840.8846 79001.0552 79264.1410 74943.4895 55336.8784 101902.1394 82418.8136 100370.1382 82284.2864 81940.9035 87073.0964 75859.4499 105563.6452 61271.6825 113970.2078 91590.0979 67878.0587 95805.1763 87166.1500
4-Aminobenzoate p-Aminobenzoic acid 843157.1454 3171131.2060 2384263.4440 895119.5067 690612.8933 884293.7432 684719.1762 779074.0009 751426.0444 2626498.4300 2425000.0390 966961.9645 2464851.4980 1932936.1630 723902.8718 828550.4907 1549750.1640 792826.4230 1445087.8680 965790.5820 758896.6856 1274486.0610 725407.8311 1656123.9200 2885762.6140 915888.8682 1433624.4050 2642024.9840
4-Aminobutanal 4-Aminobutyraldehyde 289301.4569 215068.0390 276876.3028 242412.4912 290640.1541 359662.2075 235913.4070 223220.0157 388198.9147 243014.2852 197132.0454 293751.7540 268955.6740 187803.1935 253601.1649 353287.7512 230584.8321 314780.1856 207628.1948 300882.7737 283998.0208 196380.5596 254771.4245 245053.7390 256617.5445 356062.0218 287886.4219 309541.5754
4-Hydroxy-2-butynal 4-Hydroxybut-2-ynal 193152.5190 237744.4087 248258.5818 277238.8379 229078.2384 173612.5706 232275.0863 226588.1380 187672.0703 318470.0562 239552.2506 192569.5136 248149.2098 236634.1046 236757.4637 369177.7861 347268.0830 232544.1290 366452.3831 247846.6093 234892.0540 318823.5231 264282.0464 336793.9830 151187.9696 237931.6552 309842.3345 165711.2003
4-Imidazolone-5-propanoate 4-Imidazolone-5-propionic acid 257145.2444 264831.9079 185989.6542 250653.2632 122914.7830 161923.6662 184572.8145 119145.4017 167384.1665 184374.0807 135098.4579 202749.1591 150965.0001 142472.1388 285059.1011 131365.8168 102952.2053 137212.5353 111246.4299 194029.7106 71990.9009 46875.2831 95991.0408 86432.7703 251973.6871 53880.1661 103974.0479 197142.4743
4-Methyl-L-glutamate 4-Methyl-glutamate 1791625.1230 1521158.5260 1145323.0060 1806930.5770 1136156.7660 3013851.1600 1433750.3220 953903.2408 1406491.3520 2163308.3630 749451.8284 2362531.3330 1927042.9430 1140483.7750 2250899.9070 10109566.0600 8309161.4460 6518258.1950 9522424.2530 4610730.4650 6124290.5850 10148752.2100 8044032.0650 4389465.2600 1677505.7180 8481421.4360 11003307.2400 2275122.6930
4-Nitroacetophenone 4-Nitroacetophenone 308173.9738 362964.2085 268535.7657 301487.7906 237588.3901 313943.9658 393592.9245 301898.7462 279558.5768 346371.6698 305467.2550 371786.9059 300697.0132 303800.4141 272193.6576 289608.2222 338435.1751 333846.4153 310103.1542 348277.9913 338001.1178 334345.1309 306457.1557 308761.7722 346103.2880 298341.3335 299479.3391 342509.6320
4-(Trimethylammonio)but-2-enoate (E)-4-(Trimethylammonio)but-2-enoate 1730173.6700 6618472.7200 6525279.1240 6444491.5650 5913621.5970 1940211.8890 6669202.9720 7023192.0700 1555182.9290 7190382.1380 7161824.3360 1777028.1190 6065244.0290 7473943.4300 1911750.5000 11202492.1200 68012025.1700 9549081.9260 69075363.2300 2066350.2300 10032239.2100 79174662.6300 9823685.1770 74155409.4400 6490012.6610 10821123.9000 79896625.8200 6230349.3860
4-Trimethylammoniobutanoate 3-Dehydroxycarnitine 21654707.9300 20178227.2900 23557363.6200 13802852.2200 13424063.4000 27261237.1600 14990804.8900 19731825.3400 24643733.9100 15619390.3800 19308840.1200 23826004.1700 16519013.3400 16718031.3600 22610508.0100 24932375.7400 35083126.1100 23587657.5900 43228783.1200 25556665.8600 20130048.6200 33037427.4100 24060910.0700 33596940.6000 20216942.6900 23616371.7600 31608226.5300 20209248.5600
5_6-Dihydrothymine Dihydrothymine 4582129.6140 3915991.5760 3287096.6400 3903761.0050 3222578.4430 4487599.4930 3120807.9870 3294086.1040 4115584.4940 3250609.7980 3669762.6730 3638331.4880 3461034.0050 3122669.6200 3757256.0760 5647064.2500 2605883.8220 5796618.3960 2480794.2470 4754288.3490 6092764.4370 3072539.0500 5281603.6070 2382805.6930 8635695.5690 6357130.2580 3251346.5820 9112205.8230
5-6-Dihydrouridine 5,6-Dihydrouridine 214272.6949 340894.1918 182900.8780 188794.6660 171775.1186 306509.9218 192774.4789 195304.9801 164349.3371 216085.7042 199362.8527 205840.2613 135055.3759 192120.7276 249139.2332 245259.1398 119022.9915 309343.0435 98276.1889 344341.2711 286719.9009 169274.1691 219650.7712 88643.4871 254781.8494 269582.3459 129709.6424 272378.8875
5-Acetamidopentanoate 5-Acetamidovaleric acid 819562.7499 4745497.8920 4808154.1340 3981615.1460 4158778.6400 798207.6081 3781445.3500 4778595.2690 781007.5018 4504482.3230 5593243.6760 935669.0047 4028662.1860 5222929.0190 852085.5296 4149045.4880 18772549.9300 4248707.9400 13905762.4000 929286.1536 4013588.1060 13459692.6500 3780591.8510 13771718.9000 2624223.9530 4567179.2730 14647714.7300 2427533.1320
5-Guanidino-2-oxopentanoate 2-Oxoarginine 323777.2059 194356.7390 439147.0339 234712.9615 184625.6318 566229.9134 596672.3288 261668.2299 426989.1453 250881.3131 341482.8935 486153.1020 560983.9891 283638.4068 438286.7414 299910.7794 401569.6792 294732.8368 331082.4576 409375.8118 285092.7356 286541.7188 276744.8015 437569.2690 305506.1140 364267.2029 352923.8961 563688.2698
5-Hydroxytryptophan 5-Hydroxy-tryptophan 1096501.0420 900952.0528 936594.6719 700148.2157 643177.2714 1418939.8430 907633.2625 913282.4357 1176663.7430 760501.0993 808920.0719 1179312.7010 665997.9029 830158.0226 1155172.7870 977651.7331 1144076.9950 1052926.5790 841488.1291 1825397.8610 1071960.4150 870129.8122 1108544.2330 1055058.5730 784728.5903 1129216.7240 976342.2867 1005504.9590
5^-Methylthioadenosine 5'-Methylthioadenosine 3464264.9410 3535826.6900 3375062.3790 4200881.5250 3133816.8890 1989557.3710 1919929.9050 1203726.7110 2300291.5100 2304352.5140 1977601.7510 2095991.8690 2441872.4280 1232061.2990 2936014.7260 1590396.4590 1882694.8010 1771159.9740 2206458.3060 1782745.9030 1167753.7920 1690411.6170 1350520.8190 1821382.6550 2957355.5280 1586130.1810 1783240.3000 2938804.1150
5-Nitro-2-(3-phenylpropylamino)benzoic acid NPPB 1337435.0900 807827.2798 816507.6929 822986.5880 637236.6485 1547367.7390 1061788.2520 629889.9469 1043991.9600 661627.5615 869077.8165 1529947.7380 918905.7012 777844.8440 1056355.2850 759030.4887 1076154.1200 1090727.0470 855885.7889 1740647.7960 976598.0797 872383.3211 1123314.9090 1084325.6510 906714.6278 845654.7474 863072.2621 1185648.8700
6_7-Dimethyl-8-(1-D-ribityl)lumazine 6,7-Dimethyl-8-(1-D-ribityl)lumazine 173058.3468 154800.8126 195553.6984 141161.0407 263536.0519 238460.3093 207293.8932 299245.9026 199219.8903 182954.8534 277126.2003 195998.8757 177119.3695 290219.4312 122472.1054 27787.8345 41122.4250 120011.3680 38888.2741 39608.0625 151446.9852 31201.0777 153879.3309
6-Acetyl-D-glucose 6-Acetylglucose 324299.5755 427891.6797 490477.1330 468983.0816 394056.4553 485154.1163 474983.9798 432234.4549 290238.9104 368927.0984 397198.7272 415467.3730 396399.6614 434505.8964 461418.9498 404885.7297 371488.0144 329530.6445 407968.8538 478957.0849 307196.6314 334370.1429 340854.3133 478815.0942 603754.6685 358227.7317 440556.7843 540713.8953
6-Amino-2-oxohexanoate 2-Keto-6-aminocaproate 47384.5223 321594.0126 290051.6639 398146.9298 227160.8175 35439.7528 302738.4877 180469.9501 30512.3449 306310.6510 231796.3722 47613.5669 257327.3861 191739.5524 33282.8988 27747.9385 188246.2164 34165.8463 191222.0403 35834.0853 36806.5819 212239.7843 35226.7596 149651.0431 335360.9776 33806.8642 156246.5467 377288.9085
6-deoxy-5-ketofructose-1-phosphate 647883.6219 568328.1435 422572.8250 628756.9481 464872.3077 720089.1549 648245.4912 447500.9932 572324.6091 615168.0542 458125.8852 707621.3643 514284.5479 470405.1234 616567.5775 318711.4344 322948.5427 338866.0968 379394.7794 655171.3640 439914.3452 374109.1656 358206.0423 244897.6485 769502.1487 383769.1485 270243.0656 755600.5156
6-methyltetrahydropterin 6-Methyltetrahydropterin 878436.6700 823183.8768 1016302.1310 968224.0735 741728.8931 698396.2708 1256019.9490 741819.3114 1162364.4540 1295099.2720 1008401.4540 861201.9295 1043692.7140 818260.7667 795228.7178 646565.4940 1070487.0610 1041028.9750 1240926.2420 1003822.6530 791062.3067 1031140.6660 817547.5464 797678.1998 1217818.4190 794975.3297 923052.9018 925406.6402
8-Amino-7-oxononanoate 8-Amino-7-oxononanoic acid 5857945.2640 4459460.3580 4299552.3130 4581433.0220 3477962.7010 5467560.5450 3950928.6010 4141958.2920 5486877.4120 4107846.9010 4457390.2730 6532160.8940 4882964.6120 4615766.8340 6441740.1730 16052351.5100 15618146.0500 16532738.8600 15114959.1300 6756412.7830 17769521.7400 13603646.5800 17511786.6200 13998725.2500 6295299.9010 19595008.1400 14367375.7000 5609695.3940
a Cysteine adduct 1010219.2850 594809.0079 456911.5534 492509.7304 862877.7409 132832.4784 212493.6244 308302.6641 713411.5351 477666.3392 579021.6489 142000.5398 259337.9596 274570.7802 889817.2980 71708.7146 328900.9173 105828.9586 405705.0108 67771.0112 58479.3383 58724.0441 156028.9286 4279208.9320 111781.0739 1963082.8740
Adenine Adenine 1006773.7360 1931955.1420 1811253.5230 1442684.4050 1391350.6650 922578.2239 1018656.7860 895722.9505 944191.5818 1298905.3380 1321405.3010 863731.7715 1082476.5100 1193936.5660 956036.2129 930272.6199 683553.5991 963687.5580 654380.1445 942036.5340 1046381.2370 693518.5361 999702.9619 551868.4351 982378.0944 1073324.4310 569337.1794 815960.6466
Adenosine Adenosine 267341.3609 158832.6210 128100.8720 177374.5336 170672.2044 246560.7811 118929.9074 154888.3074 171537.9207 126248.3004 166964.7254 275341.6689 127674.3691 137904.8382 249025.8787 191672.8043 236775.1814 170467.8589 281615.9435 332738.7584 206134.5051 277910.4885 201212.2969 204296.0485 280002.8472 233773.2226 269151.0355 188536.5429
ADP ADP 2614661.3130 2922899.9420 1973889.8840 3309486.2660 2629040.7620 2939928.4640 2563408.0260 2453273.0610 2250207.4960 3612887.8390 2051493.1710 2772305.9720 2943602.1740 2577352.1860 2345621.0260 2600423.0530 3534343.3670 3033013.2510 3254542.7980 3222206.7200 4100955.7960 2713634.0070 2779159.8670 2100448.5670 2358301.2440 3829765.3770 2621372.0240 2871774.1420
ADP ribose 1^^_2^^-phosphate 142128.1904 71548.3246 147813.5743 46715.8504 130717.1438 188746.5218 175751.8670 255857.5417 196383.1040 105045.8948 152523.7755 163321.8403 145663.0659 192481.2101 163543.8155 131204.3753 72292.4034 147357.6220 85657.4417 170672.6523 184122.1412 78441.5266 156633.9330 72740.8111 55753.5632 191281.6325 87823.9951 90749.3374
aeruginosin A 97067.5141 56366.5698 48265.2527 42055.7892 59081.0612 106047.6167 54424.6292 52004.9031 84799.1374 60763.8215 54588.5759 86094.2131 43512.6931 72399.2736 67986.7549 75544.4795 54607.6960 34095.8733 43206.1195 111079.7567 59626.0329 56587.9870 88247.7812 43986.6077 57586.3637 60544.7023 37964.5337 63150.2084
Ala-Ala-Ala Ala-Ala-Ala 27819.4726 98390.9682 92339.5515 98815.2925 109089.3234 71277.6160 85240.0276 118840.8753 107804.3398 119818.9119 102815.9165 95361.4333 28156.8815 90781.8966 176772.6012 150216.7681 155253.5861 39719.7003 114972.8014 196845.5308 134916.9150 202817.6223 36954.4365 117722.5294 174992.9715 86336.6207
Ala-Ala-Ala-Ser 950094.2750 752386.2587 702611.6416 729646.3134 655441.2931 783459.1187 689066.4552 613289.5037 727451.3547 689283.3279 658958.9744 811099.8436 630730.5612 655977.2386 883864.8080 835326.8031 793298.1957 772759.2767 720082.4629 877179.9937 654801.0978 739609.4812 761714.4894 755538.4426 752277.0575 752717.8355 728011.6593 639676.7924
Ala-Asn-Asn Ala-Asn-Asn 128361.5734 166360.5353 134987.6163 127868.8460 106893.4284 132235.3246 110392.4275 117720.0700 139412.0019 147820.2879 103942.9752 151785.7392 131285.3848 116207.0155 130003.9088 132610.0234 155939.0138 149541.1617 154879.6916 141155.4113 118137.0959 154263.7553 124855.2123 125405.8421 115743.2910 177262.4963 178222.8495 153617.1154
Ala-Asp-Asp Ala-Asp-Asp 81330.9805 92507.8410 92158.4214 81196.5898 87907.9264 89003.5500 97880.1237 89744.6789 86857.1261 81789.4470 89075.5961 78507.2551 95749.7908 91899.5510 65910.1190 69870.3094 91602.0976 69699.4404 102409.0911 80698.2428 83752.2158 76167.4481 74619.8038 75865.0215 76440.4370 90928.3779 101952.0039 60640.1016
Ala-Asp-Ser Ala-Asp-Ser 344060.3880 217456.2342 222015.4161 151167.0491 186423.6925 343143.5071 230344.2031 266278.4329 282780.7860 187441.0615 215794.1710 353326.6673 239343.6636 258973.3691 327258.4981 420291.1203 309911.1895 480412.8865 351774.8131 340084.2335 394264.2143 324186.6392 426148.3931 366081.3971 188164.0730 416522.8809 323826.3684 221907.4733
Ala-Glu-Glu-His 285030.2075 220245.0021 371491.6750 330121.1668 528470.4306 322474.6186 410077.1719 822785.8467 286175.2234 396491.7342 578659.2571 248322.5723 318190.1772 455844.6605 167381.1500 130577.0422 60208.5962 229945.7009 114856.2127 302930.9752 427702.1430 180798.0638 162713.2057 59599.3895 142981.5301 182722.0686 86159.8599 109235.6263
Ala-Gly-Pro Ala-Gly-Pro 83992.2953 52020.1542 85781.4473 93348.0564 103707.1328 131822.6421 91803.5366 180825.0602 81412.8911 69933.2941 142815.4223 52641.4564 57888.2598 99565.1270 57913.1515 18239.7646 67518.6733 131518.1013 93669.6201 29615.3782 20359.0342 29658.0761 26066.7046 24169.7383
Ala-Leu-Lys-Asp 90843.9631 133779.0979 211869.7821 151464.9253 150773.8501 103429.8583 107499.0101 210300.6031 88952.3904 144261.2568 150383.3467 118945.8337 113466.1507 160680.0418 69558.5244 177800.5948 79390.1247 190651.5182 81293.9301 135915.0528 159823.0579 84893.3001 160059.4983 95179.9105 167869.2573 172550.6691 83461.6843 151193.0064
Ala-Leu-Lys-Pro 178626.2725 192988.2151 246704.4559 196106.1796 173351.6348 197347.3690 184111.0110 172091.1879 216934.7386 215084.5989 181362.1426 218208.7981 151339.0084 156053.0705 206979.0100 182348.6081 367565.5660 223941.9160 340372.3241 234683.5102 204982.5598 354809.5093 184480.2764 357518.5991 177165.2101 258269.8388 371870.0843 187650.3301
Ala-Leu-Thr-Ala 2163752.1340 2229050.7740 1915736.9290 2128213.1510 1917924.9070 2368229.7370 2237868.9710 2080039.3980 2240306.8030 2306606.9830 1934899.7240 2714777.7710 2404127.6850 1937768.4940 2574634.0680 2206379.4920 1901217.1150 2213285.3180 1481180.8790 2645060.8690 2079316.1600 1531727.4190 1933769.2920 1676028.9720 2348979.4070 2379090.8080 1611148.7500 2327539.0790
Ala-Pro Ala-Pro 2675373.6890 1122907.6160 2165354.7070 2567248.9870 2876128.6950 2989840.1270 2822465.9120 4791934.9860 1801666.2020 1689134.2770 2935024.7950 1543791.8850 1679806.4380 2693149.6300 1447790.6060 835695.2387 202323.4410 1504518.0740 650546.2823 3384437.3150 2479256.9490 1172998.8980 766366.3246 350741.8446 1339477.1000 718593.3207 346377.4758 1073762.5990
Ala-Ser-Ser Ala-Ser-Ser 168963.1220 97682.6373 101840.6759 110115.3310 82413.7811 135070.8638 89379.7123 69766.8224 128788.4929 88316.2349 86245.5894 137320.3985 98442.4814 93178.5010 131131.6059 116308.1773 105863.1046 99012.9229 85296.6016 174342.4298 106829.5061 98350.2936 118539.7240 102720.5059 200359.6988 137634.9968 112585.8003 167717.3798
Ala-Thr-Ala-Asp 109499.6186 103880.2913 113766.1333 106074.0365 106026.4840 119635.6160 122692.5205 105064.4869 109272.7906 101682.3105 127803.9950 122187.3842 93473.0011 135556.4158 121371.2423 113282.4585 102006.0886 119149.1597 99530.9549 125598.0464 104181.4950 101380.0065 102015.4891 100663.8874 103885.3334 109897.2186 114756.9495 93761.3979
Ala-Thr-Ala-Gly 679990.3386 617791.7405 515456.8208 621553.5341 502470.6872 689472.3690 631640.7235 588871.0354 658505.8154 643052.0432 631730.0869 688665.3895 558311.5776 643810.5681 691583.9367 679845.8610 929840.8470 772782.7931 801950.7969 762548.2718 714760.4065 830717.7448 677857.7241 985167.9510 664973.7084 804987.7025 889115.0579 624817.3559
Ala-Thr-Ala-Ser 63619.1863 48823.8975 46621.4258 52069.9704 53268.2626 46464.7133 54511.9961 51392.7723 49767.5376 60283.8221 59161.3865 72601.9458 47436.0872 54145.6316 53971.7426 62820.9897 81227.1141 66239.0952 72528.7299 56653.6468 64101.5467 75328.4104 84586.9903 74630.7217 66696.3730 81158.7034 66824.3727 75137.9749
Ala-Val-Asp-Ser 103994.1172 95990.0409 84375.0647 107494.7944 108560.8796 115201.8537 110761.3418 86631.3512 88384.3610 102058.5742 72129.1268 142714.8654 95375.8514 90549.5700 106392.5356 100946.5466 95847.4816 81863.6636 92657.1852 114451.0171 91410.4094 115823.8830 109630.8806 88474.3023 64881.7118 116029.9466 78775.4340 81393.3618
alpha-D-Glucosamine 1-phosphate Glucosamine 1-phosphate 200978.3914 50062.9802 47671.4410 62613.9451 39891.4427 199895.4522 61187.8000 38375.8293 211588.6022 53659.5417 56048.1378 238053.8740 50833.2165 44798.8231 194677.1987 181583.3251 120539.3173 218633.9804 134819.2596 254347.0522 186692.7180 160202.7884 158098.6653 109122.8891 77829.3569 241681.1198 140048.8527 89031.7768
AMP AMP 13168403.4700 12622125.1600 6691176.0510 12914949.4400 6458747.4830 10119129.5800 8802740.0810 6755641.8960 12759329.6900 9709350.7750 7863963.9760 9436041.2560 8981211.1380 7211699.8010 11917219.3200 6346019.8380 11848248.7300 6642643.5380 12998864.8500 10846724.4700 9769958.4490 7413627.5010 9752499.0520 9382929.3570 9707694.9470 11040471.0100 7358899.7470 11548142.0300
Arg-Asp-Asp-Gly 174919.2411 186296.9593 211922.6790 176236.1767 208766.3878 162465.0090 181030.6104 198436.9894 147324.0167 192651.6585 182669.6692 162995.2648 174564.4605 212080.9507 142749.1837 176824.2084 183068.3057 152302.9018 193141.2505 200892.3185 148846.1981 190362.7229 151338.9533 139032.6199 135160.5596 178744.0946 159394.9841 151924.1397
Arsenobetaine 419973.5232 440628.0096 396176.7946 387784.4257 380592.1054 407046.5708 389695.8219 420792.1989 385395.7733 561911.6368 174715.0425 363782.8059 152965.3137 350526.0341 142345.6513 341373.2092 152238.3010 367500.6598 226026.9917 144517.3092 365134.2819 215360.8948
Asn-Asp Asn-Asp 259733.2015 185446.4685 239561.6774 270915.2297 326428.0264 363789.1038 398884.6459 550765.7871 252955.3288 270443.5177 376805.6518 276079.6459 282940.6025 369908.8984 154643.8066 116791.7331 145065.8413 217601.5973 181884.7980 351363.9680 249067.0384 209211.3535 179705.9788 139706.5213 198921.9413 189622.1345 167259.9067 176073.1344
Asn-Glu-Ile-Pro 151329.1666 193348.7802 167073.3780 195335.9744 152634.7273 142923.8322 175287.5579 208014.6377 120736.4445 168845.8079 186224.2183 139162.9208 168128.2850 182676.8428 137317.5889 206735.4174 114806.0079 179483.7689 130387.8724 176532.0774 199876.0967 114500.2153 163163.4357 127301.1560 143067.9475 221681.0964 110324.3731 139303.1144
Asn-Leu-Pro-Pro 214091.7437 40409.5667 142645.2457 231398.3599 284826.2128 264161.6241 136862.5760 235350.1135 202055.6513 144881.9428 223181.1408 145610.2679 85225.9238 136690.8756 42176.9591 37966.1140 224338.2876 126649.0101 186353.7725 229613.2028 148153.4507 81054.6736 43913.4366 134284.9606 94385.8766 33064.1799 64350.3651
Asn-Lys-Gly-Gly 143133.1728 114448.9599 114203.7383 107408.9554 88063.7852 147956.2703 91772.4738 127115.8991 133108.7678 91013.5677 112044.8547 167747.9456 127491.1739 136636.8903 152584.7446 170183.1990 133629.2880 159359.5798 142594.2410 188957.5088 139830.0510 125050.0704 153676.2274 123259.4143 125530.9604 208361.3348 134821.0553 163681.0702
Asn-Pro Asn-Pro 3295571.4740 2063752.0240 2675019.3750 2109532.8870 2023792.3260 2423356.5270 2021491.9550 1932193.5130 3098987.0890 2421414.9900 2237750.8070 2402749.3140 1684966.8260 2097041.1780 3167842.6480 2941456.7980 1887563.9310 2833964.2410 2181710.2050 2234871.1810 2534527.0470 1852638.3410 2576768.8170 1790634.2660 2531263.4220 3230341.2820 1836307.6040 2012840.4800
Asn-Val-Asn-Asn 6460413.6230 2596349.8930 6027588.3430 8394717.1380 5954715.0610 6760768.6920 5917410.1850 5587843.9130 5797137.6480 4733771.1740 5690227.7670 7226283.9520 7569885.1760 5888828.8600 6763827.1820 6830787.8750 7050225.7770 5394249.3010 7252486.1420 5963819.2240 5163731.8760 5989393.3620 5579189.0140 5751841.6320 6619603.7090 6850128.2340 6790810.2080 7196048.3280
Asparaginyl-Hydroxyproline 157335.9475 113068.3344 189518.8694 156868.1542 215640.3829 110966.2617 96283.4423 177227.1583 123408.4304 171888.2909 115184.0223 134979.3511 109386.2902 269454.3251 163488.5071 176133.2956 153163.1745 181111.7560 136913.7678 151573.0610 168155.8099 146405.9399 143564.3830 134378.7767 122384.5873 237651.5307 146982.4475 133995.3249
Asp-Arg Asp-Arg 177518.2633 150224.2592 170395.7232 162075.1995 162736.6714 200665.3603 192615.3786 158696.3929 150568.4295 176690.4224 186855.7051 199876.3146 198264.3331 181056.3001 154095.4836 202978.0571 352753.9328 174519.5936 306387.4484 174461.8668 184343.2971 365655.5160 198523.7082 329618.3830 187367.8778 198066.3240 302058.6773 204052.5403
Aspartyl-Arginine Asp-Arg 219284.4155 183684.2545 180761.5162 155289.5160 184580.3572 230616.5679 158471.2874 168334.3549 220263.6477 178612.2802 193932.9655 242392.5609 150323.3848 177356.1654 228841.8333 115373.9817 223059.4150 157167.5221 158684.6346 251396.6364 123557.3430 180042.7555 130418.6193 169901.9018 102737.4569 137863.1635 189050.1126 103533.5620
Aspartylysine Asp-Lys 568120.3159 439831.4212 454549.9760 386556.6455 426738.7069 632091.5710 406320.5372 437630.1894 525157.7419 433779.5988 434814.8930 589182.0420 426310.5777 432631.8379 547961.5550 329354.8478 461178.2234 340847.9767 456826.5422 679243.2452 299577.3752 452661.6548 362196.2471 436681.6269 297709.0371 358746.8760 432862.8356 277598.0218
Asp-Cys-Cys-Ser S-Glutathionyl-cysteine 459443.2653 265304.3521 439430.8559 296323.5765 795552.0262 619206.3415 273227.0292 454657.8349 420643.9762 336669.2052 164740.3580 271539.1408 460431.2112 376385.5375 571572.4652 848202.1552 198046.3987 402273.0698 256330.6715 429621.4366 253583.7795 320232.7196 253856.5715 141576.8527 430072.4835 448563.4610 260749.3402 645534.3731
Asp-Gly Asp-Gly 449551.9196 396378.4405 439289.8090 370852.3192 412017.8284 408935.5013 441078.2055 455367.3028 372272.1270 429323.7456 438884.3188 433447.9953 354150.8063 432499.0771 346534.0971 233108.5984 306893.0597 323360.9532 379752.9567 412808.9673 397386.9127 387726.3753 329894.9425 377239.6817 315891.3437 381606.8887 430231.5471 276336.8046
Asp-Gly-Arg Asp-Gly-Arg 314580.8822 358504.2567 329639.3365 299074.6374 354469.0823 364628.3921 361365.8261 331454.3869 371410.0520 346206.7164 313881.3893 392156.7143 298893.6542 320921.7270 363442.1351 406172.1806 376193.6300 366327.3903 412001.0526 397987.2619 334511.9025 386638.4885 387004.3445 401844.0493 319830.5304 347436.0140 413820.5436 297957.4864
Asp-Leu-Lys-Asp 184494.6937 144210.0205 196702.2927 184687.1445 156226.3469 156921.7058 128313.9770 170665.1559 124694.9810 184956.8265 162467.5868 146306.9500 161070.4163 178293.1332 147016.2327 192564.0514 113481.9157 220501.0397 128092.2762 152158.1155 237895.4351 113691.5766 243831.4519 120876.2732 182171.5475 258105.1914 156658.9298 156068.9105
Asp-Leu-Lys-Lys 809951.7358 892289.6368 813566.1330 883596.0422 754197.6792 834884.4499 694189.7479 729681.6469 741129.5839 931764.4959 715789.0598 804021.8785 782942.5438 847151.7376 730446.5525 802366.8854 1125616.0390 895291.6351 1349892.1550 898491.2071 858447.5625 1118668.3450 751673.8645 1001639.4380 551819.7808 831977.8155 1105809.2500 551022.1345
Asp-Met-Gln-Gln 901746.7314 776165.2238 876855.2457 494038.1038 592338.7769 597422.9423 955276.2165 979595.8247 178175.4961 647282.4021 508460.3618 316788.5249 591741.5967 309941.9544 456321.3719 174190.1424 503825.8063 219987.3036 434953.1627 522328.8723 207146.6088 450375.3962 285538.1025
Asp-Ser Asp-Ser 125795.6208 137253.2412 137556.0204 160898.3878 125311.6233 174191.6241 152594.1511 150750.2991 125192.5607 165491.3063 166388.0164 140933.2842 131465.4475 173511.3255 137175.8102 125413.1480 125429.7252 132800.2381 146120.8208 173739.8817 140539.9507 161986.4001 122160.7397 145819.1049 118261.9759 158597.5998 152243.9951 135135.8872
Asp-Ser-Ser Asp-Ser-Ser 160791.3389 55989.0331 131930.7062 67650.3024 138719.5201 250374.7820 110665.0482 127647.1639 164326.9514 72586.7502 67259.8816 152550.6606 93962.9082 198424.0605 168882.6190 110816.2880 70793.3763 104829.8014 75529.3681 246357.7153 161312.9970 99038.5171 127078.7332 64755.3659 60235.6905 194088.3501 96476.1065 149746.6834
ATP ATP 1003933.2010 2242980.6200 1888497.3440 2479679.3740 2585765.5700 1605091.0480 2204248.3870 2312011.4190 1060059.1460 3218120.8330 1908610.9140 1868435.0510 2088363.9380 2298820.4410 845829.8752 2676424.6190 1679047.6410 2700743.8590 1852724.8070 1822144.5860 3046982.5140 1738107.1530 2215503.5060 948772.2112 2234940.2650 3076109.9240 1686505.9860 1880119.5100
Avenic acid A 557672.8338 475458.8721 458517.4356 428664.7283 395647.1197 608541.2792 463679.3223 419778.6565 521287.4726 517709.1793 446035.6549 607786.4260 443734.2276 508047.6969 581658.3784 652166.1424 670579.1417 771138.6051 656847.4254 660962.1033 635851.6815 575589.4057 638314.7218 730429.3169 626160.9636 664518.9125 657746.8258 513283.3364
beta-(2_6-anhydro-3-deoxy-D-arabino-heptulopyranosid)onate 7-phosphate 408337.5601 188115.3208 428267.8245 192460.6324 471470.9155 400292.7074 293510.4544 502535.0189 329692.8767 199256.9588 465079.7884 380801.3724 284833.6734 407205.8429 417091.3227 1077547.0530 1690679.5050 1037652.8580 1824594.3560 482590.7376 1465628.3500 2242247.4990 1181051.9280 1784023.4630 160355.6879 1464509.1570 2304567.0100 271825.8397
beta-Citryl-L-glutamic acid Beta-Citryl-glutamic acid 148035.0653 172188.4340 180245.4903 185981.6412 208110.0255 152245.1718 220151.9810 250371.5926 145731.5157 260649.6059 186350.5157 132557.2864 244977.8199 245307.3209 135433.5913 184027.6158 349957.3325 228873.2107 399764.7374 177982.4554 393887.7595 308820.8391 251784.6994 160458.2955 216587.3300 403613.4354 277768.9642 219768.2618
Betaine Betaine 112663007.5000 86723444.9600 84607432.7100 74180240.8600 70919580.2100 139704401 81054933.4200 86953806.5800 131238819.7000 72440199.6900 72320383 118736852.5000 66396810.9100 70150170.7900 124325585.3000 128418812.1000 162336394.9000 128271249.8000 163997306.6000 130012108.3000 129173276.1000 176343566.8000 138101081.5000 198252217.1000 87102070.2600 157929916.4000 167502575.2000 84536008.4700
Betaine aldehyde Betaine aldehyde 48392.1510 78338.2780 64142.6038 87457.5404 89758.9393 79827.2186 95901.9788 78139.8730 44770.0870 94897.6180 73594.4263 63706.0626 77848.5693 91253.6020 65319.9751 45725.9451 94660.9617 66085.7543 91570.9806 67159.4203 45163.3285 73434.9045 71407.5689 96585.9370 107757.4943 38845.9155 98263.7935 69494.3843
Biotin amide Biotin amide 504529.1810 1084834.4130 948191.9731 1033979.3280 874585.1705 438820.8213 1166621.3690 1312289.4580 474915.1015 877460.2557 1514011.2440 592940.5352 1067553.3660 1184713.4580 595408.4338 1276808.5640 2534277.1230 1447362.7210 2349752.2750 480041.1537 1182212.6750 2523631.7310 1559542.4120 2328283.3070 1001666.2380 1264855.0340 2727419.3770 772762.1936
Bis(2-ethylhexyl)phthalate Bis(2-ethylhexyl)phthalate 2291545.6370 4300990.0060 4937848.4810 3763538.5560 3749451.7190 2004177.4370 4424467.6460 3342869.8650 2064964.4490 4901149.8280 4123295.3800 2443382.6770 4047915.2570 3187021.2560 2025070.3720 1094847.7310 899085.3129 1084672.1990 1000845.5210 2057484.8900 1304513.7850 934719.9622 1176946.9800 888954.0503 5551651.7270 957408.8077 786543.2966 3652388.1700
Calystegine C1 Calystegine C1 243383.5540 160336.5429 170898.5464 146903.4131 173290.6487 307743.8987 156909.3867 191426.5269 257395.1654 145710.4961 194034.1614 372253.7442 157847.2917 171106.8792 236065.0974 335381.3531 233358.9043 275173.9431 225866.1644 316013.4900 264533.2023 205169.8018 278237.3520 286559.2500 174849.2096 303645.9918 215489.9166 155725.2011
Camptothecin Camptothecin 269357.3840 538122.7326 202752.6918 480889.3533 322219.7290 100050.2153 341238.2193 426976.2160 206028.7471 625800.7959 516658.8348 245696.2320 424548.5663 336876.5270 131750.8585 366237.7296 373467.7875 354920.1345 398688.2689 112179.6708 359766.0157 421075.1481 332497.7964 249263.2172 568047.4397 360259.0001 334793.2754 312471.7473
Capryloylglycine Capryloylglycine 79334.6470 358199.2220 378636.4755 293156.4879 294445.8681 87237.0386 320475.2463 350070.9461 69834.7734 317209.6083 322982.5233 79732.8899 293621.3776 360058.3721 89178.5652 296559.0825 411279.4489 252900.5313 343133.9452 105720.1121 285513.2659 318017.8534 291010.0559 331710.3412 167967.0161 317257.3480 308557.0238 152714.4374
CDP-choline CDP-choline 409896.4156 277536.7047 393715.7112 314873.2024 457118.2489 559727.0512 373602.4792 525995.4904 451135.4476 323332.1455 508137.0537 572487.4243 335820.0641 485364.1556 386173.7478 352717.7647 136201.0889 293621.6648 112305.6461 545113.6069 267759.1532 128350.0118 345757.1686 117539.2679 431181.1869 377172.2842 146756.8513 424324.5249
CDP-ethanolamine CDP-Ethanolamine 270768.5750 263731.9262 295659.0146 258807.3637 273283.1805 397451.1388 319664.9694 423912.6411 310322.5055 294290.5012 410960.4886 425395.6611 342441.6275 464850.7624 236505.6722 95802.5151 32869.9133 73649.5547 35968.1738 400789.4871 110244.9857 55942.9666 111558.4006 48666.0363 293365.8733 158531.8757 68893.1215 341998.7338
Cer(d40:2) Cer 40:2;O2 182876.0432 379749.1663 252156.6066 350100.7702 291152.5600 210225.2947 414029.1991 479493.6815 263185.5998 421689.9796 537305.0315 250633.5914 423297.2611 359049.1439 149538.4155 287747.2381 602092.1767 236685.1080 559440.9606 166408.2784 236854.7952 585748.6395 276721.8661 586790.9982 457311.5019 222218.3140 537762.5059 493033.2070
Cerulenin Cerulenin 370135.3815 4545127.6660 5512967.7810 4314645.2790 5044114.3000 324687.4702 4128862.0470 5328750.3310 396070.3275 4893516.5900 5247881.1980 396308.0810 3982124.2770 4244915.6620 368747.4315 774046.5243 8616908.1660 753658.9750 7131852.1420 377493.2675 898341.6961 6634587.6880 704551.7645 9080254.2170 2594967.7210 909761.1326 7849493.0630 1891420.1120
CHAPS CHAPS 256390.8961 132787.2119 243343.3151 279072.5085 158201.3207 275109.1158 236833.2552 198084.7846 315465.9963 239790.2267 225931.0707 289873.7376 222775.6846 163293.9961 212339.1418 212847.8839 229987.5631 213255.4289 236982.6736 271935.3921 202245.1887 223353.3428 228898.6496 194449.1985 247856.6281 238706.7960 225238.3125 224391.3812
Cholesta-5_7-dien-3beta-ol 7-Dehydrocholesterol 201675.0137 150864.1666 128742.7116 157887.5146 111830.4918 205311.0272 142371.2338 135245.2439 236682.6493 142545.5644 125463.5661 240946.2419 166957.8959 124680.7320 220129.5005 198656.7513 217148.6343 162967.3090 219408.1799 203145.3587 179124.6886 203475.5316 206360.6109 202069.2816 139404.8234 210874.4814 176690.4463 169686.6538
Choline Choline 40090472.7900 13394908.3300 16479094.7400 13318541.6100 14943768.6900 45536083.1200 13160532.2000 14982809.7500 39007093.6200 12917657.9900 15025788.3100 40732244.7600 17481285.9600 16849153.1700 38457188.8400 30123774.5300 26389281.2600 28219674.9500 24637383.3800 46952944.2600 25703514.8500 26271592.6000 30752405.7700 27089425.0800 14249827.4500 36411619.6100 25090343.9000 14344957.6800
Choline phosphate Choline phosphate 47552568.1000 30911326.9200 39649365.5200 23731219.6000 34003405.8700 72721804.3900 66325596.0600 93642560.9300 71962619.4500 54119076.9300 69792680.2900 95933086.1000 85802642.1200 96374533.7100 55592217.7000 9631410.9040 6847812.2960 7411227.7640 5727862.8870 92122865.3200 18490793.8400 10364683.1100 13382991.4000 9458598.1430 100639406.3000 27418388.2600 16189579.4400 123601207.7000
cis-1_2-Dihydroxy-1_2-dihydrodibenzothiophene cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene 1386502.2990 2001088.9680 1529332.4330 2158420.6120 1530820.5100 1891176.3990 1894193.0030 1522404.4690 1261219.0010 2130122.2240 1602131.7000 2362778.0470 2066442.3660 1710878.5840 1356173.9220 2523489.2560 2667662.0520 2367374.1860 2568518.6360 2160827.9860 2171847.9930 2278883.5950 2585369.3460 2383047.8330 2281677.9170 2759607.9520 2683819.4720 2498271.1410
CMP CMP 58829.6368 54254.0040 61581.7256 40536.8890 58925.9493 78804.9930 86556.7821 78695.4576 57885.8776 61503.6582 79975.5318 94998.9303 65542.8566 86351.1417 44653.3981 15359.6122 65298.1403 14113.3855 15685.5288 66024.7525 36778.4291 71759.1424
CMP-N-trimethyl-2-aminoethylphosphonate CMP-2-trimethylaminoethylphosphonate 4015676.1070 3669912.0840 4075149.3460 3361414.8560 3833487.3050 3558851.0540 3991558.4760 3708575.1690 4059514.1670 3635147.1580 3712144.8750 3682160.3270 3811698.1770 4349702.6430 3379501.1590 3703790.4850 1956813.0980 3785369.0260 1708420.2140 4222678.8680 4237460.8030 1521948.2680 4307150.2740 1584526.2100 4774813.9230 4187950.4270 1600086.0460 4917216.4700
Corydaline Corydaline 6316973.1300 4231230.0100 8073650.4410 4932888.7520 8358379.0960 8608811.7350 5173432.6620 6889416.9830 6111638.3550 5519743.5420 5268199.3640 6425454.6010 6646134.3320 6621651.6360 7343583.7980 11202492.1200 7377745.2240 9834129.1480 6878526.9380 6983493.4170 7802852.7210 8853166.8220 7332170.8200 6264558.1870 5792526.8020 9724388.3700 8900764.4560 6927009.0980
Creatine Creatine 523809827 619085186.3000 479442118.7000 540813507.9000 438814902.5000 555041809.2000 597017520.4000 465537302.9000 490687364.6000 542035060.6000 549775338.7000 576384853.4000 545287819.1000 507441422.4000 612609490.5000 516407563.4000 660116714.9000 511659762.9000 763305436.2000 656746878.6000 478662393.8000 687380025.6000 523218014.9000 693882759.7000 535259143.4000 603204541.8000 658796739.3000 548536746.6000
Creatinine Creatinine 10681038.3700 7805296.3730 13880042.8800 6746467.7020 9118231.7410 1038247.3320 1117306.8500 874673.6914 2563258.5610 1969362.1820 2954998.5620 1087728.4500 968869.2012 741624.7373 12432558.5300 1896025.5470 1463381.1430 1869851.8740 1130332.6360 1272629.1870 809194.7595 1120857.1650 1039516.2050 1314900.7360 1495506.4760 850696.2578 938141.5373 789780.7605
Crotanecine Crotanecine 94585.4301 32738.8820 49890.3167 49026.0215 55981.9705 132049.4730 67132.3868 54833.4832 90638.2453 51066.2051 71669.7299 100112.2511 52431.0871 59357.3037 102636.3972 175126.6295 268483.2637 171416.8100 275651.7223 109947.5602 211020.2424 276677.9054 271412.6715 263323.8017 34507.4566 282182.7404 276307.4560 48603.0454
CTAB 67801.9262 132592.9830 113734.0685 128489.2429 98496.2256 84054.9228 119760.2438 125201.6717 69529.1134 119308.9509 138836.7371 86848.5005 115081.6786 148587.0456 78028.3005 142716.1527 158104.2043 150979.7037 134351.2391 94160.9677 134212.0687 136594.7821 158982.7080 128527.6879 138909.8089 146023.1843 144410.5668 125354.9549
Cumene Isopropylbenzene 668068.4068 1035138.0160 98696.9982 448025.1456 802294.9270 951215.1719 1194440.9690 645918.5016 671864.5146 95347.3879 271578.2439 335117.5405 1153898.8900 308375.5206 841203.8200 738317.4906 332001.3693 381602.4251 515984.8391 290498.0101 693063.1484 346973.6020 572401.6650 773019.9182 343080.7381 383153.6513 960325.7291 790451.9398
Cys-Gly-Pro Cys-Gly-Pro 1515059.1120 2333316.3970 3382288.2970 2699043.8260 2913911.4180 1067460.8440 3362068.8680 2874923.2730 1207712.2050 2470630.8440 3433280.6380 1177709.7540 2684741.8180 3072904.3020 1405933.7880 2389150.8830 5186561.2640 2844858.2120 5158212.9520 1373208.2260 2738840.3190 5702467.9840 4256850.1590 5585145.5690 1851958.3400 3631050.4250 5488794.8190 2266320.3930
Cys-Leu-Cys-Tyr 322523.6700 379192.8965 222445.3483 373471.8595 250435.1832 230192.3102 409027.3526 245507.9694 242802.5251 430906.7391 338591.9433 326432.7457 436380.6103 275298.6087 265227.4793 240589.5919 350365.8903 335493.0084 343997.9540 312237.7758 276987.4404 318227.2839 302754.9878 350497.6709 448457.2101 298315.3317 325927.9695 446711.3425
Cys-Phe-Gly-Gly 458814.0167 515573.2416 2455009.0830 642043.7068 3370460.0150 514963.4012 536476.9478 2536148.0660 361268.3216 1214269.7710 670643.1924 574085.0641 751751.3288 4114133.4530 469231.5326 2144073.9970 1351375.3780 1877896.4410 1068795.2920 886889.4837 2695881.6810 2332130.7150 1504648.1210 625895.3967 497253.8517 5150185.2370 2744661.9800 951465.1806
Damascenine Damascenine 139971.8186 279986.4274 75106.0664 177110.2312 98399.4235 118586.5941 168778.9774 80753.7650 161153.3415 126393.1887 176940.4841 158339.3525 148665.7198 57240.9823 139967.3383 103845.9279 276305.8727 311589.0820 310560.4289 169275.1614 108933.0082 182358.0633 216115.3790 358478.6468 208357.2613 97603.5787 214636.4814 131920.9731
dCMP dCMP 122315.7216 133056.7603 131399.1016 117308.6172 141523.1191 144386.0205 153600.7058 136271.4033 137595.0620 147074.5280 141252.7448 153514.2671 141282.7332 147620.4423 162266.0963 120781.0413 93264.7533 120459.9649 103535.3209 157286.9422 118587.1635 77739.2395 120040.3053 92573.4578 115559.6088 123096.8420 97727.7108 124727.7437
deacetylcolchicine 224034.1626 239342.1111 223404.1288 245249.1136 186132.1782 269537.8364 222657.6842 183229.0822 190617.5958 231750.5676 180264.2705 212636.3242 199193.0514 173222.2019 196812.7362 212926.9716 197548.2096 234946.5426 200639.6990 206478.7066 235982.7937 183765.6066 224560.3669 204362.5897 213924.5048 285541.6073 266463.5259 266736.4811
Decanoyl-CoA Decanoyl-CoA 509932.4074 154135.6816 566531.9145 299979.4357 388325.3888 303272.9299 519200.0924 381060.1353 277959.3594 364858.0188 233510.2913 356389.1424 387926.7622 393990.8000 382669.0101 342304.1206 310635.3334 329297.5796 287335.5644 592094.9698 294415.2030 403827.9024 311312.9860
Dehydrophytosphingosine Dehydrophytosphingosine 361486.2781 134195.5421 167224.4479 159779.6051 281608.9339 226614.6630 364033.5645 122352.1464 114397.0445 260769.0056 126277.3348 258284.6723 334090.2488 258705.2368 277647.5517 366144.9354 217052.1038 326398.5955 293581.4710 118074.1779 371129.5219 369642.2217 340923.4156 253681.8398 272177.3871
Deoxymannojirimycin Deoxymannojirimycin 53127.3580 108638.8982 64857.0363 108744.5680 84415.1074 49995.9514 80078.0049 50083.9190 48261.4810 89981.7711 71245.6980 26336.3444 94752.4290 83181.0311 57147.9785 77574.0239 69473.8642 60198.9390 74235.8996 53956.3309 56991.9656 66886.6819 57196.1601 90778.0621 128507.8802 45225.3376 72697.5467 143527.9976
D-erythro-D-galacto-octitol D-Erythro-D-galacto-octitol 497403.7945 366654.8116 352764.0548 384915.2866 298293.1169 388071.3806 305609.1288 370279.6168 387344.2675 355145.2027 336178.4040 415392.1304 360879.0966 392727.2083 417052.9540 386422.9213 467986.0136 436983.4036 408841.4121 464569.5271 339015.2428 457764.5068 403141.4381 372248.1903 371910.7274 419794.9456 474244.3818 351737.4884
D-Erythrose 4-phosphate Erythrose 4-phosphate 239214.6341 195781.4103 140982.1462 260500.5337 201267.0775 424668.4823 304132.1914 294783.4374 268065.7473 375817.4659 231382.8559 385570.4312 338762.6637 441356.8064 224017.9160 572426.7694 382483.5162 488763.8348 474874.0396 602599.6215 731605.4706 432520.7453 589950.7799 246342.6859 275003.8017 680806.3034 437133.2752 320332.2653
Dethiobiotin Dethiobiotin 75312.6943 81408.9171 68137.2679 100182.7763 82517.3061 113568.9287 89124.6793 113302.9211 78223.4289 74489.0178 89516.8305 88367.0766 63802.2771 99608.2435 79280.0162 31683.1393 20458.1710 51479.6730 32403.5616 125461.4640 88516.6739 39395.6083 28444.5683 45263.4636 38558.1510 22923.1247 58420.6472
D-Glucosamine Glucosamine 345197.9003 308880.1731 337050.1251 311812.5107 253140.6939 393885.5143 338198.2507 277338.1210 331608.6673 345047.4516 289647.9392 345457.4021 263418.3714 282057.8973 306809.0329 588414.2284 2025081.5150 634812.4553 2053219.8270 373744.9720 608114.5072 2022458.0960 622996.1352 2019250.0960 346072.8958 685186.2081 2010727.0190 317804.0793
D-Glucose oxime Glucosoxime 291517.5894 275462.5869 260450.3815 379485.7611 240119.3326 276504.6967 264127.9593 242491.2367 209975.2078 123702.6299 266873.4256 239828.6853 279148.9226 227654.2681 186824.4960 228357.7001 221810.5404 238232.8921 225139.8197 268420.1664 235846.7150 227848.8667 237613.2772 174551.6067 309881.0337 302627.4444 228349.3093 267874.8020
dibenzothiophene-5-oxide 196338.2667 231073.0628 173612.9139 260175.9951 148572.5630 203930.3371 205458.7180 160495.4065 220808.1749 154045.8814 159675.5286 172534.2793 220329.7330 143012.5861 205259.8907 157579.7657 143569.0021 202381.3005 162067.2326 182425.4218 168335.6669 170779.5786 150422.3318 151008.6357 256440.4235 204808.5514 233597.6941 237832.4063
Dihydrobiopterin 4a-Carbinolamine tetrahydrobiopterin 10607880.5800 8394509.1970 11778681.8100 8394717.1380 13360742.3400 17142107.5800 9238519.2930 12641745.7300 11738583.3100 9540492.5000 9549099.1140 11873685.2500 11066135.1500 10555306.0700 12174888.9300 17008661.8100 12386805.4900 16532738.8600 13527888.4200 10698139.2000 12130485.3200 13891554.4400 12528757.9100 11879999.2700 10242063.4800 14915603.2100 12965680.5100 14886276.8400
Dihydroferuloylglycine 1198329.4710 1000973.4860 879092.8616 1092032.8330 630596.1696 1621395.1180 1218601.4400 748059.0831 1513842.8830 652228.2239 945424.9703 1537108.0220 879068.4165 639874.3731 1336031.6470 1000699.0680 948370.2770 831834.3336 1022322.9330 1452715.8300 749275.2437 864473.5024 1112474.1520 1328778.2020 948054.6018 888457.0449 986866.3894 959141.1990
D-Mannose 6-phosphate Mannose 6-phosphate 328119.1441 224044.4791 379810.2654 212689.1134 349060.1187 202103.8673 306537.0389 325793.1297 291832.6418 369067.0397 284565.2820 258091.2094 296019.3409 285072.6746 285229.9078 144406.3671 223914.2296 354410.5681 302433.3279 224863.9510 246662.0877 389259.1248 231781.3317 316342.9095 282825.6768 246128.1996 395361.5758 324109.5172
D-myo-Inositol 1_2-cyclic phosphate Inositol cyclic phosphate 266404.6210 124841.4446 282299.1277 107944.0429 285165.6928 154514.4362 102037.7569 157290.6571 232566.5807 87871.9661 122594.9746 180099.8342 80302.7153 116547.1229 204883.3307 280559.6483 162353.6576 283039.0863 161196.2803 159524.0211 188329.7598 173946.2277 168899.9696 135100.5506 76684.2427 186038.3227 171624.0080 92866.1773
Ectoine Ectoine 310014.0753 254359.6763 433469.2462 229252.9901 251319.9168 453930.8434 291062.6281 240047.4376 269527.1007 253261.1594 386931.6025 382128.8072 411481.6058 325525.6803 466879.5727 415016.9836 276969.2833 409074.0292 411061.4690 494666.4944 489405.0451 291114.8654 521204.0704 597432.0157 279721.9975 491792.0688 286044.0907 472045.6430
Elaidiccarnitine CAR 18:1(9E) 5313910.9640 7273749.4890 5695794.4900 7756292.4420 5837011.9870 5333793.9580 8310620.7180 7156967.1570 6028193.7970 7418592.4080 6657165.6820 6473787.5770 6130385.8760 6818334.3570 7279166.3960 9426487.2680 8770781.5260 8765202.0670 11336219.3500 6106607.8080 8196273.8660 9428982.5500 8755893.3100 9988279.6390 5792411.4680 9797504.0720 10512713.9200 5850682.5630
EPC(d35:1) EPC 35:1;O2 3422206.5230 5463689.0860 2461383.1190 4772240.9060 4446177.7060 2550318.7540 5302723.9970 3507717.8950 3369785.2690 5398775.5850 4340615.6740 3699747.1420 4384239.1610 2905459.7780 2808420.9240 3681488.9870 4688211.2280 3294949.5560 4768831.5770 2655536.5020 2946427.3470 4158182.0240 3775988.6000 4533545.4380 4395280.0110 3621635.3160 3764383.4910 5164219.0490
EPC(d36:1) EPC 36:1;O2 1894237.8950 2824153.0640 1014087.2690 2373480.7540 2168524.9420 1391746.3810 2574517.5640 1383344.6810 1810185.7890 2286713.5780 2351161.1040 2291850.0770 2360357.9130 1836232.3500 1904666.5180 2608065.8510 2635508.6750 1287201.6350 2824580.9700 1838803.2230 2067563.3590 2789559.2690 2173834.5300 3032992.3780 2159568.2520 2839152.7180 2574621.8100 2254078.6860
EPC(d37:1) EPC 37:1;O2 21874181.3200 27219140.6500 10506805.3700 24054093.3400 21212553.0100 16386948.6500 25623817.6600 16654998.3400 20560748.4100 24146733.2300 22889752.2900 23590103.1400 23816247.3900 16586909.5400 22417255.8000 32787781.8000 28697381.6600 25796773.5600 30607792.2400 18350280.4300 25703514.8500 28718809.4500 31820197.6400 34050953.3100 23423153.8600 35314884.0800 28103988.5600 25622440.1400
EPC(d37:2) EPC 37:2;O2 3755427.8520 4820575.0660 2012798.7970 4054821.5190 3603953.8680 3224445.1610 4066290.6890 2941407.8190 3650078.2140 4364141.6780 4133482.3730 4061697.1720 3844080.2550 3049265.0060 4027870.0380 5291119.0670 4882150.1330 4219017.4210 4860625.1020 3678640.9710 3874787.4870 5039130.4240 4738476.6130 5874439.8200 3927780.5780 5587163.4240 4854019.9820 4044887.4140
EPC(d38:1) EPC 38:1;O2 611327.6309 978828.6330 369131.9986 884824.6776 744790.5452 546961.0424 983939.1281 606887.2371 581824.4769 1006860.6250 985657.8350 626828.8487 797770.7640 576749.2175 500319.5720 740687.2617 1069712.1160 686117.3476 949431.6097 511986.1503 770683.7471 967415.6789 769111.4395 1098760.1340 898830.4102 995642.7448 1129859.5360 835560.8547
EPC(d39:1) EPC 39:1;O2 2099970.6060 3586268.1800 1384728.5150 2899073.1860 2612698.7060 1859270.1790 3418337.7690 2184251.3610 2193420.0940 3050375.5460 2958566.8350 2429135.0410 2844082.5370 2507503.2680 1981712.7900 3868410.4230 3971145.2130 3129544.4920 3968901.4620 2061312.0750 3277349.9380 4226602.2480 3747476.4220 4461837.1570 3037934.7400 4066131.6250 3650164.9570 3275135.1810
epsilon-aminocaproamide N-Acetylputrescine 2885374.4260 2200959.0320 2541908.9340 1853774.5110 2187162.0700 2959215.7890 1899689.4860 2294765.8030 2580032.8870 2051682.0680 2395225.1060 2794011.6190 1950490.5190 2365912.5240 2500728.4660 3101018.5380 2541381.8400 2891501.5580 2645970.1430 2635780.7900 2699326.9030 2577690.2110 3502447.0180 2880346.8730 2042927.6250 4086052.7290 2446942.7970 2420285.7710
Ergothioneine Ergothioneine 954969.9679 30825462.1200 4540013.2730 33094557.9500 13487384.4500 9325675.1360 10300681.7000 481154.2314 28790335.7800 28928153.2000 466961.5211 10985945.7700 4067349.1890 299164.0562 12158802.4200 38468340.0300 13183434 40583665.2700 58165.0434 9310967.1120 35556621.2200 11033849.2900 26332737.2300 23690338.1300 3091031.7420 37074837.7700 2768557.4350
Ethanolamine phosphate Phosphoethanolamine 239962.7869 246890.4854 271230.2428 220656.2247 240322.8505 355065.2483 370844.4325 441212.1009 339671.1282 286474.8168 328828.8451 429667.3373 367707.0724 441519.4384 150928.8450 23123.8019 20594.4255 37129.1460 22844.3920 291547.4632 40960.5585 25666.1932 44077.3221 27756.0789 429856.6488 51836.9021 41631.6585 561666.0480
FA (14:2) tetradecadienal 3299764.1470 4721984.2470 1563810.5150 3156983.5160 2721107.9910 4457005.3620 5022009.8450 3394408.0550 4325056.2330 1596138.1150 2163957.8610 2102086.3720 4517896.0210 2408577.5950 3778077.7130 5207908.4580 3202052.1150 3120421.2000 4355490.7250 2919771.8110 4627330.9950 3092638.9780 3220523.2710 5228295.3620 3091039.8390 3913682.8270 4892967.4840 4522654.3500
FA (16:2) Hexadecadienoic acid 2237004.4870 3239480.8720 1021829.2640 2258676.9430 2013820.5270 3142976.5390 3392426.5550 2202230.2310 3294557.3550 840536.0692 1281414.6740 1359653.7320 3241247.9310 1455435.9150 2914089.9410 3400288.3330 1898449.3180 1915353.4280 3110824.8540 1699730.5710 3498072.9700 2162318.8780 2027238.6310 3231931.1000 2218599.9430 2571778.6490 3571460.1220 2981242.6350
[FA (5:2)] 2_4-pentadienoic acid beta-Vinyl acrylic acid 1489990.6790 367086.4700 498513.4911 267671.3324 344703.5115 274588.1742 243283.6863 399727.0251 1375437.2390 243458.4616 361292.7102 294497.5698 252076.0089 336378.5099 1224925.8010 352254.5519 352218.7901 413842.8693 487301.7479 282867.6459 327080.4639 382604.0896 368849.4135 350084.6612 553373.0676 393366.0413 372029.4833 536256.4704
FA oxo(21:0) 89436.2471 106376.7499 110278.5997 66231.8714 82379.0980 175229.3068 81617.1022 137984.8323 70685.3707 63928.9841 111660.8173 117658.2319 89617.3953 140182.2500 107984.9237 33352.3144 48354.3338 64206.5471 47661.5371 157530.9123 45410.2413 41204.6790 53340.4193 45418.5183 127445.6835 36801.4634 36209.7263 165678.9185
[FA oxo_amino(6:0)] 3-oxo-5S-amino-hexanoic acid (S)-5-Amino-3-oxohexanoate 619372.9310 1895327.5810 1305868.3050 1756948.7130 1336866.3810 529552.1277 2015432.4450 1664841.8280 517010.4542 1957626.9540 1505921.7180 689503.0348 1506517.0770 1210493.4820 607534.5265 77868.5697 194910.4355 87245.3551 162179.0951 638046.1227 81493.1434 156677.7052 80210.2726 202980.2865 2359213.4550 69411.5692 159990.8578 1782001.9170
Formyl-N-acetyl-5-methoxykynurenamine Acetyl-N-formyl-5-methoxykynurenamine 483103.9600 1041725.4550 530471.8751 1059716.1990 295302.5229 361547.8629 425162.0506 306209.6693 497718.8034 588680.4176 324192.4854 436972.7990 539856.0908 254620.1454 499676.2837 90402.4784 320455.3134 45940.3704 285289.8232 499093.8246 68060.7260 206030.8263 82208.7564 213148.7288 740144.2757 80595.0271 215483.6309 582146.0689
Furfural 2-Furancarboxaldehyde 131528.6773 113559.4408 97065.2119 119288.7161 187797.5219 114026.7675 84522.9801 83399.8728 117984.4735 122214.3686 65887.0450 90430.4119 87606.1390 81487.7363 193749.1654 117326.6051 142428.8967 90460.8716 121767.9293 119670.5389 67865.8596 74026.0997 74682.5811 98657.6833 85946.0391 83840.1418 94208.0980 148123.8254
gamma-Glutamyl-beta-cyanoalanine gamma-Glutamyl-beta-cyanoalanine 321127.1333 188370.0843 254041.9906 188071.3910 246707.0374 380178.0111 274885.8772 286799.4476 329604.4728 232632.3508 286424.8330 351714.0380 236217.0043 291189.0770 297122.6687 462386.8325 494661.5955 411653.1276 539074.2617 289653.8136 386053.1872 527997.3360 413501.9556 475217.7056 328724.2040 488336.3009 507343.6178 217891.2658
gamma-Glutamyl-Se-methylselenocysteine gamma-Glutamyl-Se-methylselenocysteine 153150.7157 111516.0598 138415.0814 95498.1369 129486.4200 155311.8250 123254.1581 131489.7905 143717.8428 82217.9249 149351.0698 167028.2878 110919.6741 122436.5719 182707.6402 203956.2259 356937.3647 199841.3961 396793.1837 163669.0973 250303.4873 399998.1331 245588.1697 463981.5531 96814.7958 240529.2048 442696.7786 102320.7604
gamma-thiomethyl glutamate 148993.7525 127997.7540 123774.7726 123010.1512 123243.7655 132026.1338 323204.3681 268029.8623 133841.5976 202705.4933 140941.4555 141917.9622 331687.1533 169822.2030 150943.1980 255405.6989 468796.0126 270156.5775 525391.7283 145316.8900 311425.3555 417398.3847 224032.6776 426667.7144 208613.8696 240171.5548 387953.7044 320618.4033
Ganglioside GA1 (d18:1/24:1(15Z)) 494422.0199 502405.1773 175091.3839 548942.4596 287145.3662 1339954.6560 404593.6804 717071.8400 772587.1645 459821.8717 731942.7042 769605.4415 578101.3656 505013.7839 477357.0631 485546.8749 537620.2487 615720.3487 489289.3650 740727.7356 532093.0835 1171803.4510 596232.1545 685253.7279 636529.7726 408516.6658 911876.7481 687045.9402
GDP-3_6-dideoxy-D-galactose GDP-3,6-dideoxy-D-galactose 129834.0112 252378.1314 114621.0727 249266.1925 251726.3588 195076.2993 269431.0927 70213.4169 174652.9858 244129.8316 347587.2955 154603.7982 288975.9062 128859.2872 187284.8388 317226.1649 274115.4854 518208.0102 153050.3919 203450.6318 204292.3516 244395.1565 421912.2403 308124.4045 434198.7271 221930.9236 190993.0812 320125.9720
GDP-L-fucose GDP-L-fucose 68000.3381 79605.6088 40487.0500 68495.5758 66860.4880 63835.9201 58207.2608 68301.0027 52393.7039 72468.9056 54255.6082 70232.9465 51258.0292 62305.0656 50085.0029 98075.6199 157776.3339 99959.1015 172075.9216 63317.5335 91083.0195 152421.3699 126075.2535 101915.3072 70134.4779 103645.2662 136255.1100 55667.4789
GDP-mannose GDP-mannose 151458.9302 140647.7852 128083.2454 156684.8477 168393.9129 124068.8826 112010.1965 124738.7158 113900.2919 148760.3536 128308.3726 138755.4017 110910.9410 128253.7298 123967.1931 276340.8043 130285.6319 307412.4053 129390.8047 129834.7579 332187.5622 124016.7736 272185.5749 75114.2985 180508.3671 346877.3872 117732.3979 119179.4619
Glu-Ala-Ser Glu-Ala-Ser 549392.9258 237535.9183 287284.3304 211670.1946 260034.7143 364944.0250 131771.9395 222933.2980 500272.8110 224837.1933 225780.5715 486383.4496 264968.0312 264931.1551 363359.0769 381520.3794 392874.6323 444650.5503 401589.3019 259597.5680 419808.3526 330722.9575 405094.2069 405097.5233 225433.9262 368512.9860 271495.8088 236016.2242
Glu-Asp Glu-Asp 173890.6539 158416.3377 236816.9127 177133.8414 245471.8811 153831.9849 183646.2798 250605.7827 155687.6776 248355.0086 265424.2752 133520.3892 226698.0982 253157.6864 183532.0823 177819.2301 218636.5657 202817.4227 176810.0803 173881.4091 233519.2396 219663.5336 156476.1556 158999.8033 138800.7364 218608.8432 174156.1266 168439.9423
Glu-Asp-Cys Glu-Asp-Cys 171012.5462 178956.4852 180093.7811 163054.0114 186628.0612 258755.6066 195225.1649 195353.8290 163743.8500 192169.6868 183174.9136 200936.9600 205659.8116 210523.8792 192905.3578 159768.4248 126711.8149 158298.0684 120138.5721 276074.4436 250985.5402 132458.3784 233862.8362 103310.1194 180727.4026 252496.0289 106471.8796 182889.6396
Glu-Cys-Gly-Ser 95892.0969 61265.4316 74169.5177 75711.3434 75852.3793 120874.0058 80863.3472 79967.9253 106330.3752 79501.0678 100252.3207 122038.0539 89638.9900 72283.8966 107108.3840 146581.7810 179120.0596 181514.3741 228019.0305 102585.6478 172148.0203 222055.5756 173803.6703 174204.9727 62047.9513 192927.1356 230717.7799 91706.4150
Glu-Cys-Thr Glu-Cys-Thr 343838.6742 253493.9176 270634.1026 195837.0088 150954.6219 339928.9372 261621.2211 383550.7743 282389.6442 299352.2390 369797.8594 305927.1960 258869.0020 179507.0139 332306.9301 305512.4950 258551.2191 315308.1243 278059.3463 333246.3628 290957.9687 259203.4276 339572.4514 254922.5566 186981.8383 338249.2774 213312.7993 210804.8201
Glu-Glu-Pro Glu-Glu-Pro 399792.4551 152510.0204 365203.4902 399266.9990 582825.7377 587743.8248 696805.2403 1145051.0350 422137.0912 549543.1327 684470.2089 319750.0380 522657.4724 668292.5273 166022.2650 116511.0731 17387.3005 286179.3491 140620.1093 592564.8690 791294.9170 280792.9860 180955.5956 60516.0577 253653.6917 325572.1342 107281.0629 223328.4361
Glu-His-Val Glu-His-Val 368013.1424 212756.8136 491933.7080 367141.8190 524352.2667 622544.8047 410942.5478 734623.2150 407959.7443 342648.8198 523712.2663 363072.6973 330710.2462 513954.4888 222187.9384 108028.0137 229715.1244 134609.9528 533129.2765 453614.3350 203096.7752 182298.6775 37119.8753 208907.2296 176048.0902 91581.6935 185853.2069
Glu-Leu Glu-Leu 547889.8531 249242.8588 317049.4533 192134.5930 277204.8116 650526.6050 240937.5327 303702.4733 564985.7616 263381.7856 314886.3047 655061.7790 212340.3893 333859.4550 471037.6355 769968.8855 947261.4271 705690.4269 751699.5093 697593.2006 858933.0278 813153.9256 818973.2265 775282.8409 217183.3874 956629.9427 795975.0407 261432.6529
Glu-Met-Ser Glu-Met-Ser 1360857.4730 621198.6410 421271.8474 589952.9231 529839.6297 484714.2362 464117.9886 696664.3254 1182575.0500 623124.6033 800237.0620 1689892.3720 585233.0587 503227.9048 966990.3921 2351608.7020 4136095.5320 2500426.9240 3881991.2020 516983.4907 2451244.3800 4037755.5630 2470283.4510 3539001.4620 585619.5922 2228144.7200 4141436.3430 485613.0746
Glu-Pro Glu-Pro 3297343.3560 2567739.9580 4313855.6690 3366363.7030 4672831.6180 3087781.5960 3738169.8600 5180672.6800 2788334.9600 3681705.1840 4219961.0510 2107248.4770 3185011.5170 3411142.5290 2842288.0500 1574379.4570 585920.9521 2255148.6000 1258746.9670 2926026.8790 4277621.2330 2457085.4270 1940631.4560 921525.9626 2814345.5960 1769864.6390 982263.8357 1383841.0390
Glutathione Glutathione 95105136.1900 141676915 68570729.7800 154979393.3000 88016264.7200 39494811.7300 107201686.1000 110364446.8000 85305232.7800 151128155.5000 128491554.3000 86497044.8500 124293547 83262352.2500 62935801.4900 130468048.4000 121559954.5000 121857687.3000 101270226.2000 37443487.2000 98355286.4000 95009595.1600 107491047.9000 89289166.4700 139826431.8000 96512726.6800 100221206.1000 99241845.5900
Glutathione disulfide Oxidized glutathione 22678917.0900 13566637.9200 23004373.8600 17435181.7500 24125321.4800 28318459.6500 15165116.5800 21069576.2100 16769404.7300 18743268.4500 13761936.9600 21781528.5700 16198255.8000 30289139.1600 20806820.7600 20014208.4700 15387336.0100 19953305.5200 14359211.1800 30459979.6600 22359435.1100 15547024.6600 20003300.9800 9231591.7870 13002967.5400 31512867.5800 15698986.1300 18224411.6500
Glu-Thr Glu-Thr 882879.2687 476804.2661 447041.7231 413232.8015 613072.5429 838888.5857 607929.0505 671622.5488 850846.0574 418532.8048 630240.0149 853602.2795 600437.0663 614607.3634 822157.6879 972319.8762 833547.0905 1201892.2570 778299.7122 929635.5148 1165230.3230 697472.6358 894649.3268 692699.3945 455790.9729 977251.9523 760078.6782 683141.0556
Glu-Val Glu-Val 151786.4257 117685.0967 152476.7295 125248.8140 131694.9792 105996.6080 109059.9236 141160.6633 127203.4424 136055.4570 147934.4921 137648.5590 129940.7717 112296.2151 144462.4853 139052.5877 157937.3720 106809.9331 166914.7889 114187.9980 128095.8452 141933.5499 136003.8271 144554.3011 119110.6338 135585.4837 146133.9620 118123.4596
Glycerone phosphate Dihydroxyacetone phosphate 272977.3461 559986.2175 117039.3487 595240.4345 159009.1193 396505.5854 815721.7066 488758.6932 179608.3449 683493.4943 257911.9076 330800.9939 787717.5210 457162.3938 194730.9872 773084.3224 1471589.0370 928331.4586 1350204.9400 404182.2460 995082.0706 1143964.2000 1008687.8080 1126808.5660 548176.2223 1234567.5850 1267254.3120 841193.0550
glycerophosphoserine sn-Glycero-3-phosphoserine 790490.2986 818872.7663 270883.0344 624872.1716 652133.7970 858556.5111 702498.0965 635311.7257 728939.0469 932690.6835 680143.8000 422640.7302 621866.0256 650388.2119 612848.2375 508531.4515 513734.7274 436560.1530 1065001.6260 768012.6807 400755.1305 884732.1392 480903.2473 1134542.2000 692542.8384 566332.3846 950253.1474 575426.2118
Glycyl-Cysteine Gly-Cys 611342.9940 1077422.7790 479378.3866 925695.0441 585301.8679 246859.0217 752315.5045 803978.9089 592543.1796 1163916.5500 894873.9003 641936.5897 684244.7469 600984.8312 479005.1018 770930.5750 837356.8026 856603.3338 726885.0919 235328.7417 614292.4896 633031.8830 670765.1391 650907.0516 945218.8861 673907.9740 638488.8917 654152.0614
Gly-Gly-Pro Gly-Gly-Pro 1154281.9850 479009.7571 1217823.2110 986726.0503 1461231.1460 1291742.6670 1086488.6530 1676879.7460 832817.8537 890575.6358 1016395.7530 657966.3596 701559.2390 1297919.5250 592010.9795 401595.8515 151915.2855 769747.5747 377713.7597 1251271.5410 1092942.3840 565811.8747 335077.6260 182729.0259 573567.9119 426987.9770 240792.5955 470248.9145
Guanidinoacetate Guanidoacetic acid 557976.7130 925307.4951 724700.9557 799449.1431 556240.7890 307832.0871 483196.3480 353193.2775 521632.4758 700549.0243 430960.4974 275508.5443 470361.8146 369352.4092 594568.5919 465162.1389 62739.7588 438169.4672 57316.2320 377441.1466 239625.5456 41283.2295 314952.2408 45662.2013 435063.0403 287898.0349 26282.1106 370293.7117
Hercynine Hercynine 10388407.1800 24814926.3300 21953693.3200 26394927.9200 17413289.7800 9666034.2280 30678856.5200 25684816.7100 10863657.8500 17307973.1200 23942961.7500 9436041.2560 21009618.9100 15996861.3800 10886540.8900 28006230.2900 77706046.8600 28504722.1700 57890293.4800 9806627.5990 23211847.5900 60244720.5700 25769377.0600 65453499.1500 14071704.6000 30927941.9600 60623316.9600 18855950.6600
Hexadecasphinganine C16 Sphinganine 83607.8511 51708.0323 67019.6540 50021.1978 62567.4689 71244.3242 63972.1364 64435.5507 63145.3131 82364.0071 79624.2535 72169.0735 69559.3800 65583.2031 54715.7535 72244.4992 113931.3701 88562.7521 97474.2400 71856.7984 70425.5611 108713.6046 63710.9085 113837.8702 90613.3933 62966.5914 121927.7045 80325.4124
Homocarnosine Homocarnosine 188128.8987 126617.2627 109351.1753 85054.8742 125131.7322 315397.3400 125288.8657 89885.4562 166254.1114 123907.9906 141512.4706 257875.6056 100878.3029 122145.3073 178551.9931 131764.0410 187060.5380 163181.8181 187151.3102 250924.9942 134828.8486 207597.3825 189697.5853 190172.2214 173073.5336 176504.7777 213903.8985 137129.9012
Homostachydrine (S)-Homostachydrine 243474.6355 320357.9083 347819.0822 319700.3413 254651.3562 346017.0049 409996.9069 318974.2373 260898.6267 348494.6932 306476.6027 269708.1556 303088.1354 343055.6425 276327.6444 208525.2119 667569.9077 242908.1787 592548.5309 415891.4615 211459.3578 608080.6179 284042.3802 710271.2471 278240.2938 294382.7579 659394.8689 194777.8681
Hydroxybutyrylcarnitine CAR 4:0;OH 882706.4334 775940.7972 776001.3315 701003.6798 652400.0621 850796.3092 680485.0365 704516.6300 897157.6850 863991.0112 769917.7069 712330.5387 659127.7776 702628.4541 964381.8094 1293672.4990 1480309.9060 968104.5428 1378331.7060 947329.1412 773831.4441 1360029.3350 1069575.3460 1491460.1310 635370.7495 944418.9807 1348209.1300 617244.4137
Hydroxyprolyl-Asparagine 131686.2524 86213.2001 85651.2095 97078.1814 82603.2496 139761.8520 84777.3935 91827.3062 113249.8850 91142.6520 101134.9322 134979.3511 76060.7031 86587.7449 95057.1262 136504.4050 90911.7351 137467.4187 94565.2008 128095.3816 130753.9891 91955.8150 124777.6306 104254.9506 122384.5873 156791.0936 110019.2854 107548.7898
Hypaphorine Lenticin 28824172.0500 30482002.9300 38211592.1600 29704383.7200 27544658.3800 23107863.0800 29720142.2500 30300057.2200 24497913 28621477.5000 29068581.1300 28229490.0900 33759731.1500 28322311.9500 24220943.0500 13661575.7500 29312875.1000 13254695.8100 29474170.3100 26893933.2600 14425442 31957772.9200 13952480.4000 34731972.3800 30369944.7400 16743495.7700 31608226.5300 30584532.4100
Hypoxanthine Hypoxanthine 253857555.8000 272191406.5000 244974462 288971993.8000 214025161.7000 263550464.5000 244907917.1000 205344758.6000 308411226.2000 265107490.7000 229599662.5000 269713512.6000 249388987.8000 213072948.7000 247362822.7000 240443733.2000 316979121.8000 295736492.5000 297008946.9000 332088071 266214975.2000 243282145.2000 256270048.1000 267867499.4000 278762249.4000 266872312.4000 277535647.6000 263441990.1000
IDP IDP 64007.6428 13975.6701 22437.5235 51397.0013 41958.0788 45588.0095 47370.8663 306936.5009 1233556.9510 329263.2791 1372377.9240 58982.5061 404697.4562 1274508.9130 299018.0277 902345.2497 417553.1725 1272125.7280
IDP-D-mannose 33168.9393 50707.3406 37379.3706 42328.5115 32838.8767 775860.6108 3038518.3930 813248.4530 3282236.8040 62365.0091 996638.3791 3257111.3840 774529.4155 2353491.4170 1020873.6030 3226044.9320
Indoleacrylicacid Indoleacrylic acid 2649749.6220 3143953.7100 3925452.2540 2637429.2260 2407956.7270 2268340.3350 2776097.9150 2595972.4520 2277672.6820 2682899.4150 2911644.9500 2458882.5540 2908528.7410 2894898.5710 2163862.0120 1299505.8210 2959058.1890 1332291.2950 2678158.7710 2565021.1430 1319013.2390 2871717.0170 1279221.5080 3023604.9080 3020490.7250 1414995.6600 3175575.8460 3045898.0200
Inosine Inosine 541446.8002 735568.0283 341881.7348 759568.5360 275163.2221 1096517 1458260.1790 1222458.6510 693728.9020 1029438.7710 858514.3889 1115850.9990 1261608.1700 938814.9826 429473.4343 711795.0359 1507868.3360 985868.2403 1494598.0500 1256783.8690 1141815.7000 1978723.2720 706813.8370 1664021.2820 1087688.6610 1176346.8310 1544731.8760 1361204.6500
Iridodial Iridodial 118563.6982 98671.8228 121908.1842 93550.1725 135444.8757 85310.1862 122113.9745 132533.0166 82775.5355 95735.3103 119135.0924 100095.5328 239385.9070 139069.5911 108810.9363 108362.6569 112231.2288
Kievitone hydrate Kievitone hydrate 3255028.1540 2317158.1450 3053589.2500 2418168.6980 3722754.6120 4424474.6260 2529405.0460 3218424.9220 4165394.3650 2155085.1760 3092515.7700 3177407.0180 2925824.9900 2127602.3950 3199993.3730 4818520.7610 3597538.3870 3435160.0090 3385484.8220 3763333.0880 3119869.3540 3303864.7420 3344026.2140 3276080.4310 2563987.2610 3893622.8030 3776557.9150 3333642.0830
L-2-Aminoadipate alpha-Aminoadipic acid 200101.0237 296558.5479 160353.7230 177835.1080 156676.1342 176000.0645 245759.2936 159512.5255 407508.2919 231907.5531 170857.6399 246823.2492 248786.9159 136463.1539 291453.4743 273315.6832 296677.7680 335160.2157 237342.3388 218534.4740 242541.4110 185569.4731 233543.5887 184534.5777 324353.8209 318580.4909 140323.6617 392937.7970
Lacto-N-tetraose Lacto-N-tetraose 188853.4582 77100.8589 83167.6634 79712.7012 95430.4379 191651.2760 87817.4233 87587.1219 169818.3619 72380.2550 73755.8800 208008.7323 86571.6019 97552.7452 191013.8012 93284.4412 114955.6257 105129.4016 108662.5512 236666.6360 101169.2414 109675.2956 97965.7772 84399.9166 86917.7966 131258.3250 102697.7387 62822.9006
Lactose Lactose 65972.0611 55018.3315 155700.2624 57938.0019 59478.5145 71139.9411 57919.9394 61729.4949 69487.5202 57183.6897 61164.6787 59633.3112 45669.9911 53999.3642 65357.9814 73024.9007 97806.8665 68759.0184 103404.6356 87458.9595 64775.1268 99975.7921 68473.3381 106124.6554 71990.3787 63831.2131 104642.7331 54510.4409
L-a-glutamyl-L-Lysine 306197.7073 126574.3035 342220.4756 134228.9541 308168.9652 674194.1825 191059.1565 386531.5759 232143.0393 171885.9032 101850.4015 271813.3266 238791.1337 534379.3338 377260.7548 123789.6085 152393.7235 132364.9176 127649.4433 611432.5977 168608.4286 165050.7857 171855.1726 142754.8738 74789.1478 307126.3450 253515.0819 261311.4200
L-Alanine Alanine 4593346.5340 4854231.9190 4714470.4810 4207029.4450 4539494.8920 4488278.7590 4910653.4400 4072656.4420 3988512.1430 4846316.4810 4344414.2490 3917674.4810 4322667.3450 4304834.0700 3923335.0890 3673328.9280 5127293.8620 3685162.1000 4503262.5010 4555744.2580 3885559.3580 5083285.0540 3731647.1190 5178192.7890 4681024.6760 4490125.9250 4690826.2170 4715572.3780
L-Arginine Arginine 21801023.5300 20693416.0700 20847713.8100 19453142.6000 22352331.9800 21219965.7700 19087129.4800 20868913.5800 19321270.6700 19925276.3700 18747128.4100 19737052.9600 18202990.4300 23601926.6200 16619689.6500 32856089.6800 31851785.5400 29573649.2500 29852044.2900 22956423.7000 25965795.6100 32317657.7500 27976146.9200 26559743.5800 23601276.7100 29831206.4300 30416785.6200 25081120.9800
L-Asparagine Asparagine 13461034.6600 13566637.9200 12884661.3200 11946328.2300 10701258.0900 13366312.9600 12201817.9300 13912609.0500 13561344.7000 12411083.1600 12498085.6100 14625863.9500 13712384.8600 12915498.7300 11788384.5200 19262821.8100 18926423.2900 15321288.1700 19347147.6900 13075503.4700 15408994.8700 18785988.1300 15732133.5100 17176814.2300 13982643.1800 19083198.2300 17591274.6300 12991659.7900
Lauroyl diethanolamide Lauroyl diethanolamide 7228143.2500 3069365.1070 5751093.4650 9766930.5160 2187140.5410 8684327.6270 4017956.6730 5421383.5590 11884404.2200 4079863.2860 5632602.1140 6062870.3910 3645691.7160 6687212.5430 8696349.2340 13524959.9900 8539971.4860 9905390.9530 13603463.2200 9137993.8990 15408994.8700 10724567.9400 5517324.3570 10593629.9200 8868817.4020 13087710.6600 8690510.1770 9112205.8230
L-Carnitine Carnitine 42943626.8800 58731521.1400 45732252.8400 58601583.1000 42931674.4500 43572669.9200 52293505.4300 45416642.0500 40975675.9200 58762679.4700 48798705.0300 43248522.4200 45627760.1500 45892635.1000 41484806.7200 74455587.8400 43853907.6300 76250131.8000 31287965.4000 45169921.0600 73438613.8400 25983684.7400 84711488.1200 31932227.3300 43283850.8600 80427272.2300 32519328.4100 40147837.5400
L-Citrulline Citrulline 13314719.0700 19405444.1200 13990640.8300 18000210.7900 12854173.9100 13215281.1700 17256856.7900 16588110.7900 13415523.7900 16716969.1600 15587500.0200 14154061.8800 18603937.3600 14292277.7900 15975515.6300 22473292.1100 18695613.2500 18670593.0200 20405194.8300 17681646.7300 18359653.4600 19505757.7900 18864322.9800 21565603.7700 19237267.0500 20399280.8700 17381020.3500 19758149.2600
Leu-Ala Leu-Ala 3775391.8830 4190801.4290 3465318.0490 3362453.2990 3486253.6430 3675833.8560 3469287.9850 3696571.1960 3398454.0250 3647317.1960 4024950.8940 4083122.8830 3591872.6100 3638071.7750 3962790.1030 4335209.7310 9232401.6070 3687642.0110 8086503.1360 4681358.2430 4010552.5340 7989443.2290 4096314.4140 9458598.1430 4054563.0740 4750766.2210 9251188.2530 4158678.1140
Leu-Asp Leu-Asp 420605.2997 196201.0745 229859.0573 200644.4852 230824.3956 483186.0305 196523.8143 244495.6474 374735.3384 220551.2668 264272.8320 523187.4998 187221.5155 296716.3327 401611.5392 683023.1166 603786.5629 677452.4465 703666.1057 578201.4099 689251.4712 634439.3476 688437.1835 614602.4454 175764.8445 801873.0650 741459.9610 226065.9886
Leucyl-Glycine Leu-Gly 1390288.1240 816801.9221 685523.4978 742501.1780 672163.2753 1140332.9250 834833.0219 975462.8519 1085989.7490 919556.3593 820093.3077 1092894.3880 873575.5439 980496.9684 916483.9282 921222.5945 1295195.8300 904942.7105 1233243.1190 1366177.8210 778030.8050 1220376.5670 882902.9934 1444193.6240 814534.7762 919458.1940 1207451.7750 818437.6892
Leu-Cys-Gly Leu-Cys-Gly 478812.7522 821175.7675 864040.6186 785560.7798 1013468.8210 278070.6839 739502.9420 1250797.8160 293560.2551 910707.6580 690433.1737 410795.1811 852800.5792 1233908.6420 367621.5764 827369.3621 1333601.6590 911210.1863 1379485.4500 314623.2891 1125454.0520 1377111.8990 874722.6399 1156432.5180 423259.8693 1159153.4000 1265080.8960 729317.2713
Leu-Lys-Pro Leu-Lys-Pro 6311138.0640 6632608.2120 6635877.0750 5860512.6640 6775352.7520 6884160.9050 6053356.7400 6139183.5530 7067203.8770 5840963.4810 6545187.0470 7063481.5730 5413552.9150 6205195.6400 6699409.7800 7923713.9350 7924478.0460 7122021.7030 9975873.0270 7117692.6580 6557019.0930 8493281.9910 7077488.9350 8323566.3660 7580221.5370 8481421.4360 7849493.0630 6386792.8780
Leu-Lys-Ser Leu-Lys-Ser 54302.4094 38764.6420 50245.8762 50860.4961 40532.5238 59226.8017 48017.9088 37399.7728 46339.0374 39578.8921 45515.4315 61396.9785 42400.2846 60993.5145 55139.9874 64807.0146 74452.3646 62745.6634 51674.3728 54688.2526 52974.3622 55481.4030 63879.5473 57818.5542 56969.2446 77709.6759 60858.8620 56337.1041
Leu-Phe-Cys Leu-Phe-Cys 49825.9466 125703.1649 163459.1752 145220.7995 196553.6759 33974.9333 103114.4380 194077.0294 283585.9419 128359.3107 32078.6270 132146.4309 275820.2482 54628.6189 241971.4176 217740.5419 235578.1226 144764.0879 35172.1321 180570.7777 274601.6174 186514.1752 156303.0742 149529.2701 217023.2378 264178.9817 103794.6569
Leu-Pro Leu-Pro 3056916.8400 2059188.9540 2584697.0700 2094705.3140 2165545.0540 2901763.6760 2088095.5780 2177930.8230 2939617.5920 2179759.3800 2284370.7730 2844774.5730 1978733.4210 2256350.2490 2873285.3820 3880489.6470 3530189.9400 3676247.9610 4233366.3900 3358311.9390 3504239.1910 3690884.1680 3553072.8110 4008802.0860 2778788.9370 4347275.3910 3799748.9610 2465408.3320
Leu-Ser Leu-Ser 58661.2595 67720.4451 77298.0487 60080.6034 51340.1860 55322.2407 78967.4761 54205.3674 71056.7412 65138.8471 70149.4440 63307.5434 97542.3180 67770.5198 71272.4349 112552.0125 65095.3316 87562.8599 74219.6864 56193.7928 87550.1181 65278.2947 87670.8899 77470.4530 138892.9429 95188.4985 57213.8084 125319.3321
L-Glutamate Glutamic acid 68622013.6500 30653732.5300 32128704.8400 28332170.3400 37359421.7200 63659897.3000 37999947.2800 50700757.9900 59057468.8500 30985493.3400 41426238.8000 67389061.3000 41457912.1300 45433708.7500 61132114.2500 71040193.9000 70320125.5700 74824895.6900 64843174.6800 70726586.9300 65570190.9300 62763914.3800 74033569.4500 74458084.5800 29924637.6300 73115702.0300 67491623.3900 42222894.3100
L-Glutamate 5-semialdehyde L-Glutamic-gamma-semialdehyde 42285206.7100 47397367.9400 44570974.3500 40359217.0100 41348648.1000 51350806.8400 48632960.0500 47824593.6200 42944258.2100 46351596.3100 46200788.3600 51976860.5900 51401395.8900 44909221.4900 37490927.8100 68990957.5400 69781568.8100 58363418.6400 76330543.6200 54827963.3900 60783566.9900 64491361.5600 60223461.3000 63259104.3800 51833747.3300 63683776.4700 75691540.2500 60717965.5300
L-Glutamine Glutamine 216547079.3000 179457425.7000 186357547.9000 188073951.3000 176665740 228813154 251008826.1000 202000381.4000 196129124.9000 202629929.2000 186769144.4000 220960632.7000 190048842.8000 197338330.9000 237700212.4000 250006836.2000 217730804.6000 252266791.2000 212365175.8000 239222279.3000 253756638.9000 200095965.6000 221388847.1000 239113361 208403726.4000 252980329 205348345.3000 206603478.6000
L-Histidine Histidine 39944157.2000 44649694.4400 37216210.6000 43265080.6300 44704663.9500 40325486.5500 41573336.8200 45951742.4000 34559555.8400 40948131.5300 41215596.9100 48045176.7300 45948517.6900 46351561.4500 33625883.7100 46859204.8200 46854438.1500 49241907.5500 45949475.7600 43906946.3000 38555272.2700 39875239.1800 48904867.5100 48957703.9900 45777570.6700 45331735.2600 47096958.3800 50432901.5300
L-Homocitrulline Homocitrulline 131285.1990 559048.1446 394136.3982 661227.7543 392258.8101 109645.3236 541293.6154 306862.0946 87271.3999 666408.0448 359351.3819 93877.0919 429743.5354 372946.9089 118681.6950 303185.9287 245756.1203 300448.4790 272305.6245 69505.4134 229500.0533 231382.9132 235574.2619 241729.3255 331213.8047 264582.9456 226257.6515 253298.4304
Linatine Linatine 400516.7630 221574.2294 515042.9425 191221.7810 665415.9421 786803.1037 321326.4321 615731.2335 292371.6779 234980.1932 140133.3587 472508.4390 250035.6150 877837.1105 565917.4628 229812.0175 277282.9926 224004.3146 183695.7354 1003506.3520 341973.9132 387871.1840 275268.6014 218118.2290 102888.3394 568999.9653 464892.9285 310054.6445
Linoelaidylcarnitine CAR 18:2(9E,12E) 1346860.1010 1716595.7120 1483073.8720 2206284.6250 1682795.1550 1431739.9750 1907368.1340 1851930.1330 1426995.9590 2693851.3520 1976086.5330 1677362.8820 2050025.9950 1854806.5740 1661087.7350 1542318.8130 1640642.9660 1781768.5410 1716796.7350 1307626.5890 1807738.3620 1446653.6140 1587427.9740 1502644.5450 1565063.0010 1558753.4690 1704989.7900 1603351.9340
Linoleamide Linoleamide 294047.5461 77900.2870 223828.9978 93412.2843 26307.7954 123683.8224 38881.2358 70222.4206 68525.2161 329532.9644 151981.9322 100440.9521 50933.6474 246778.2209 34850.5718 143415.6788 301909.1015 89360.2441 123255.5601 67903.4320 61764.4612 67860.7608 280521.5590 317296.8564 410987.1498 154908.6177 57387.3126
L-Isoleucine Isoleucine 66134648.5500 58216332.3600 57510934.6500 54081350.7900 46540974.5100 61847515.8800 57610011.8200 56453086.7300 61682245.2400 60113545.6700 55960529.3700 63771912.1600 51481585.2700 47400535.9700 55141295.8800 65234024.2100 68781391.9700 66701049.8700 57361269.9100 71172342.7300 69504402.3900 69169864.3500 66345468.0100 62729422.8800 65371083.4000 76040330.1100 64898487.2900 54222135.6400
L-isoleucyl-L-proline Ile-Pro 8486304.4600 5341635.2820 5506929.1330 4515960.2820 5039200.2700 7474740.4930 4815726.7820 5802802.0830 7363955.9920 5734352.2770 5575580.6510 7393080.9220 4960555.8610 5265162.7000 6892661.9860 10382797.5700 11232755.2900 7838798.5960 9522424.2530 8172189.6660 8524124.8210 8853166.8220 8186404.3140 12182674.4100 7696665.7830 9212578.4560 10722968.2000 5977178.4750
LL-2_6-Diaminoheptanedioate 2,6-Diaminopimelic acid 62194.9011 46784.0183 51832.2440 58743.3827 56458.1052 50007.5915 51325.0951 54222.4917 62182.3825 52541.4295 46087.1295 74617.4068 57609.6769 52444.0597 58090.3799 87990.3137 65198.4508 86137.8298 59675.4528 48186.3819 68517.4071 79122.4119 108779.9840 72757.5291 50441.6060 68243.3630 61050.6424 43176.7684
L-Leucine Leucine 69938854 71096051.9100 66911760.5100 61911038.8900 56925627.3300 69097041.5500 66761375.2700 70900796.1400 63869558.9000 56989667.5900 58839301.8900 61727436.5500 56052380.2200 66872125.4300 63386723.3100 70357115.1200 59933673.7600 71261805.4200 70208985.1700 65748980.4900 67537296.6600 61324375.0600 65135303.8900 76425472.9900 60205520.9600 80427272.2300 69594166.1800 78130398.4400
L-Lysine Lysine 2733038.8590 3494659.8860 5293717.2970 3987118.9320 5372916.7870 3386926.2880 3819890.2280 4537408.4850 2760606.3840 3999797.4460 4411883.5490 3039251.9730 4107607.0320 4619907.3330 2563894.2380 5911189.6420 4628060.9770 4987351.5180 4670965.9960 3514808.6280 4582524.9160 4919608.3540 4766663.1150 4962287.0440 3433207.5870 5778633.7060 4917274.2800 3742040.5470
L-Methionine Methionine 36139951.7500 35118701.9700 30137941.7200 32125936.7400 28367832.0800 33680088.0100 33990778.5300 37858349.6300 33903361.7500 36979962.0800 35598479.7900 35778323.1000 31995564.6800 31206991.8700 34849814.3400 40165032.7100 41776617.2700 32210336.0500 33252910.0900 33208807.1000 36653736.7300 34548943.6900 40504904.8200 36472354.4400 33130848.8100 37727702.2500 40228651.9500 29321454.3800
L-Methionine S-oxide Methionine sulfoxide 2369144.4780 1810578.3820 2406089.6730 1432062.7680 1405494.5300 3047906.5620 1586876.8180 1222114.8490 2790404.7050 1404260.3420 1034228.8710 1847958.6440 1366012.8450 1629132.4910 2894387.2350 1913664.0080 1332944.1390 1990354.3400 1337161.2970 3296095.5730 1681436.2410 1394512.5100 1832640.3260 1542743.7990 1141001.6070 2696164.1780 1636833.0620 1729394.6040
L-Ornithine Ornithine 7462095.3010 9359262.8720 9566722.7830 9201901.4780 7788489.6120 9741550.1210 9848610.1900 9899356.4420 8093060.5460 8865059.4030 9057601.3660 9357407.5790 8740642.9820 9440770.6490 6570574.9770 13866499.3900 11078881.9300 12185768.7300 13905762.4000 9732334.9660 13441889.1400 11948176.3600 13454177.5200 9155923.0020 8522372.9250 14476909 10793052.9600 9833964.7000
Lotaustralin Lotaustralin 6181936.2730 6099902.5820 6248784.2460 5266838.2680 6648710.6450 6475409.2380 5544009.2810 6647257.9890 6251448.8920 6101450.5870 6142094.9990 5307265.6260 5370987.9890 5731900.3050 5524620.6070 7718790.2990 6521160.6950 8123845.8180 6632320.8800 6343204.5850 7671712.3390 7413627.5010 6459378.3920 6328906.5430 4772494.3180 7384685.9050 6780429.9540 5180210.0680
L-Phenylalanine Phenylalanine 14851032.8100 15198069.0700 15041321.3700 15013628.7300 13234100.2400 16009369.1900 14729337.3600 14581484.4900 15165374.7200 15872677.7900 14253434.7100 17378042.6500 13952953.0200 13636668.7100 13914158.7700 16598814.5400 17387689.6900 16390215.2500 17306628.2100 17681646.7300 15802416.0100 15547024.6600 16871111.5000 15814776.0900 16209178.7200 19083198.2300 16960511.8000 14435177.5400
L-Pipecolate Pipecolic acid 2732734.5230 2895745.1990 3533183.1640 3063139.0540 4738442.9940 2929169.7150 2560358.8790 5077718.3700 1797630.9730 2053666.1530 3176808.3360 2755288.0720 2300158.7390 4499014.0040 2257626.5330 348110.6544 222423.5334 531408.9034 302297.0808 2573992.3500 1133527.5460 637666.1649 479328.7882 286136.8054 2551545.6030 1069487.3190 444937.0379 1692449.3460
L-Proline Proline 84131466.6300 91875332.7800 73547637.5800 69902163.8600 72819211.8200 74685217.5900 92385192.9300 96318062.6700 82388814.5600 92872050.8900 96895270.4200 98292096.4200 89812111.3800 85884788.5400 92761058.5000 84701769.6500 99248317.2700 76250131.8000 83888023.1800 88408233.6600 79339931.0300 82773510.9300 86135210.6100 104422923.5000 100639406.3000 87007685.4200 85503406.5800 98339647
L-Serine Serine 6462308.4100 6364540.8920 6304083.2210 5561618.3560 5261733.5650 7474722.3690 6579823.7840 6822529.4390 7291045.5370 6294189.2210 7091610.3710 7084181.1020 6172020.6060 6621651.6360 5578174.0130 8196945.4500 8847718.2060 8622678.4560 7708629.1570 7875019.1320 7671712.3390 7341650.5350 8827079.4340 8928916.6470 8057343.1660 8554537.1380 7428984.5060 8189017.5760
L-Threonine Threonine 10900511.7600 11076558.8100 10617403.3200 10412677.9900 10004726.4900 9061907.0890 8802740.0810 8294055.3970 10061642.8400 10384783.8700 8846959.4730 9750575.9650 9382158.0630 8326235.2250 9533775.4570 10724336.9600 9617085.0070 10332961.7900 11185069.7600 9583749.6990 8851975.7760 8853166.8220 8613521.0610 8853247.8610 10331124.9000 9285694.1580 9811866.3290 10916603.0200
L-Tryptophan Tryptophan 7901042.0840 8758209.2930 9124330.9780 7744061.9850 7345242.2360 5873206.6210 7780074.3440 7491404.8750 7363955.9920 8949488.5400 10391666.6800 8728338.1620 7274388.8950 7146138.8940 7021496.7890 9768026.6620 11925185.4100 9834129.1480 9749148.6400 6232192.8180 8392984.4390 9500959.5160 9183010.0570 10290954.7800 8889590.0880 8993231.3500 9461442.5320 8027259.6830
L-Tyrosine Tyrosine 23922599.6400 26961546.2600 26930601.1300 25507025.1500 25898310.9900 23107863.0800 20307311.2800 22006001.8200 21946047.0700 24484449.7800 20572691.4700 25320044.0400 22693596 20323881.2600 22997012.4200 35656712.7100 27928014.8600 37768756.8700 28189398.7800 25779543.7600 31080270.5000 29438579.1100 28901566.5300 24819361.5300 24313768.0800 34729958.4600 31047548.4600 25622440.1400
L-Valine Valine 21581550.1400 18804390.5400 18856950.6900 20179608.5000 18236463.4800 21899608.8000 21527493.0700 24012628.1300 20925300.6900 19418701.5500 19589695.9800 22410597.9800 18443558.5900 19668272.1800 17972455.0800 22404984.2300 21388397.0600 21877374.2600 19649446.8700 22807838.4300 21507022.6300 19721688.6900 22494815.3300 24743692.7400 21641925.4300 25736727.1100 20324580.2500 17051553.4700
Lycomarasmine B Lycomarasmine 70978.4206 58313.1382 50980.5749 53355.5912 62442.6473 56899.8562 54213.4329 52945.4674 70199.3029 52573.8819 62503.1324 69571.6619 54393.5062 62377.3516 66516.9461 50226.1802 66781.0924 55863.3485 82305.5873 70465.8662 57819.8917 75894.3855 50253.0604 66884.2067 58147.0158 54833.7605 73713.5075 54961.3500
Lys-Asn-Gly Lys-Asn-Gly 75481.7116 66832.4824 88767.9808 84522.7380 71642.2219 77234.5869 63149.2082 60181.2417 82769.8116 69684.7822 79133.8199 82753.6272 79491.2050 70651.4300 77945.6852 76995.8085 99864.0151 79283.5242 133666.8975 116631.8309 56360.0943 93991.1829 70078.4183 90140.9782 51426.6288 66508.4360 92723.8233 51981.6206
Lys-Asp Lys-Asp 300206.0380 233664.3283 334429.5066 342321.4806 297930.7819 417182.4031 375819.0156 523392.7288 282397.9378 349341.0161 405741.3091 329701.8179 298818.7272 391155.5904 280676.4430 307355.9326 296511.2241 353769.6572 281541.2425 452925.5498 370746.4408 303710.4520 321140.7398 290956.3158 368131.1834 334938.7126 293316.6110 303359.3723
LysoPC(16:0) LPC 16:0 16533662.1400 20607551.2800 14488331.6100 17193026.4500 16020226.6000 9363970.6590 13683467.2600 9765581.3540 12613508.7800 21613859.1200 16289639.6700 10772813.7700 11707650.2300 12128767.8500 15073672.0100 19194513.9300 20849840.3000 22091159.6800 18364675.3500 10772431.8300 20392329.3800 20153550.4900 18864322.9800 26484074.8000 17188854.3600 21569132.1000 18572461.2700 9202425.6820
LysoPC(16:1) LPC 16:1 351445.7134 357097.5230 405742.8582 302312.6825 447136.5159 361866.5164 330011.8386 170810.2705 258855.9492 378020.1957 369048.3692 242905.1788 228435.0003 183889.8425 387999.3773 460037.8099 531842.8329 447232.5882 336273.4306 242230.2952 443884.9891 358938.1081 508706.5899 766980.0835 419815.7249 378068.3857 371880.3780 162601.4627
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocholine LPC O-16:0 1135047.3370 892723.4687 762774.2313 799098.2702 1139505.1040 729025.0920 867613.6960 852356.4953 772926.6538 1012569.9340 1109830.7040 853876.7110 738024.7103 904271.1864 872522.7555 1267742.2300 1359758.9760 1316413.0960 947497.4618 952946.4072 1048838.7260 1375292.3210 1103654.7250 967523.2199 1041224.6490 1075141.2650 1073257.9450 662660.5835
LysoPC(17:0) LPC 17:0 951985.3126 1018030.4210 1259060.0720 962867.5983 1038143.2940 508715.2635 953890.8441 675833.2869 721868.4644 973357.9826 1333594.7080 657547.4879 783435.8589 687402.4251 880463.5692 1026307.0940 694188.1717 912496.1947 1015320.5510 712850.6322 977867.4366 1023228.1480 1248328.8660 869120.1266 617580.7305 1135170.5360 1268552.3690 714783.1903
LysoPC(18:0) LPC 18:0 20776814.3700 24557331.9400 15151919.3200 24861277.6800 19439563.5000 12309090.4600 18215571.0600 12641745.7300 22237688.8900 24737737.1900 18325844.6200 17849844.7100 17000149.6500 13636668.7100 20420316.3500 27049919.9900 24388927.5800 26153082.5900 24561808.5900 14635648.7700 24326540.8400 21593089.8100 24060910.0700 22851973.1100 20127881.2700 26687231.2400 22357038.2800 18134191.7900
LysoPC(18:1) LPC 18:1 3833860.3260 4062001.6580 4894768.9200 3760576.9970 3569877.3260 2576382.6870 2886404.5280 2384607.3130 3405279.5370 3998332.1780 3659886.0260 2556477.7600 3309060.6860 2775532.1550 3746651.3610 5439503.2470 4134832.6160 5005633.7340 3750271.5130 3100195.3710 5642271.6530 3695856.6970 4957761.5540 4036830.9400 3561633.2660 5101131.9120 3664500.7940 3200383.5160
LysoPC(20:0) LPC 20:0 359475.4217 508419.2550 381160.0442 412019.9313 510210.3800 303775.5149 472163.3989 268602.0853 409033.7609 398463.1546 464432.5473 334706.5812 372664.8313 321958.2450 488471.4806 551371.1219 401110.0307 448040.2517 511097.4170 339190.3771 431019.1750 498945.3632 504775.2917 562506.2839 390760.4660 464254.5020 478889.4244 464090.6479
LysoPC(20:3) LPC 20:3 905135.0594 402956.5963 590659.4185 373515.6997 615913.9960 1857568.6180 318974.9947 565930.4056 562968.3749 450392.5618 368945.7690 791280.4219 402691.7215 1165428.7170 1317050.0940 728160.9629 410037.1138 535460.0479 414373.4871 2389448.3350 783522.3085 447726.8691 589648.8617 445552.1840 400197.9986 810115.0325 419476.2085 450592.8828
LysoPC(20:4) LPC 20:4 338348.1130 509812.4113 778594.2314 481825.2331 489511.4004 431438.2461 338499.8100 262213.5096 441416.1194 510791.9001 434605.9187 295520.6186 438687.4585 311977.0886 467081.6823 620291.8077 394385.0195 738544.7915 490129.0955 472005.5232 696254.5316 353539.6333 707813.0233 673772.9761 586515.8841 648487.4266 411609.9827 420599.9954
LysoPC(O-16:1) LPC O-16:1 1130628.0570 1190784.9180 859803.7494 987307.0212 946276.3969 1002723.7130 1144467.9880 892009.6885 1127652.9710 1121173.8780 1087404.1000 1005884.5530 1019528.1440 976372.8595 1016911.0600 1306455.3790 1222709.6480 1166704.5140 1035870.4710 978898.2170 1366011.4110 1158541.7850 1403038.0260 1159173.0520 1314040.8240 1267912.5500 1249175.6850 997437.0484
LysoPC(O-18:0) LPC O-18:0 456190.7610 586826.6944 288869.9940 486623.7926 422204.8799 363313.1177 460887.2304 381122.2131 411429.4617 452652.3077 420501.4253 530151.2983 399484.3466 374431.9044 513982.6639 546382.2986 519406.1628 613520.8086 473735.2691 442558.8486 538961.2741 460005.5996 568134.0569 552640.5877 644655.1800 714856.4229 483920.7217 520974.1283
LysoPE(18:0) LPE 18:0 915279.3939 1015941.7600 840886.3154 1105081.6740 985548.1936 548953.0572 685278.4444 601977.4823 795195.5119 1146925.2920 976301.8243 656032.8558 834158.3514 711948.6746 795434.2093 1148759.2980 1239461.3600 1336139.2550 1183573.0020 891425.6990 1099363.2630 1022961.2930 1148992.3670 1579211.8970 850798.9172 1217987.5950 1177218.1730 583516.9033
LysoPE(20:0) LPE 20:0 2301540.8210 2854864.1110 1559051.2090 2518743.6650 1722781.6080 1226135.9700 1621241.9310 1233993.1570 1803388.5290 2055904.5800 1784403.9910 1399140.6160 1556246.0230 1239578.2670 1850166.4970 2725567.6980 2617737.0710 2629746.7910 2287742.0220 1172341.9330 2313242.8970 2373159.7450 2459149.2290 2943479.9880 1869137.6200 2504265.4380 2155292.0790 1469015.2400
LysoPE(20:4) LPE 20:4 913951.5799 312553.9789 770879.6786 435826.3704 657959.6905 1443464.7610 328699.2989 367714.5214 563022.9210 407343.3849 417912.8559 708735.4561 423561.3348 789788.1564 838119.7564 859090.7726 462487.5414 792546.2750 481517.4892 1673236.8890 1153421.3780 460388.7870 845737.6077 550583.0589 412928.3548 1085658.0450 651708.4543 545511.8438
Lys-Pro Lys-Pro 151497.5324 119468.4952 220360.2486 228883.6529 328554.0704 208275.2383 197149.8247 286865.5200 107433.1345 141185.9651 168524.6383 141890.9810 149795.6008 188187.1756 84199.4222 47541.8674 113052.3670 28613.4236 189126.4781 98865.5762 72500.7334 24045.1935 103827.6452 23080.3565 104821.2462
Lys-Ser Lys-Ser 113605.5428 54325.5334 41305.9414 47317.4834 29172.8356 99012.6269 36218.0665 64535.5005 89835.3587 35976.0139 50358.9361 106579.7420 33743.1952 47989.5905 130283.1281 169419.7624 279085.3786 172317.4480 269916.5636 127362.7634 167572.3786 289901.8735 184059.0993 279981.4098 71889.1479 195871.4821 273559.8268 68147.7895
Lys-Thr-Ser Lys-Thr-Ser 281798.8733 515924.1066 449923.2144 499849.7603 353434.8912 284040.8524 469071.9267 451061.0827 292718.0482 474321.8373 458284.2616 309462.6152 392045.9541 509636.1967 281574.8242 527379.8152 272780.1292 612917.2211 192279.0720 348269.3315 539983.6364 193493.7884 500171.5960 195172.5212 526055.7588 663197.5747 186040.6731 434287.1375
Lys-Thr-Thr Lys-Thr-Thr 177329.9506 300455.5217 268145.0439 246276.9366 245280.5921 254951.9183 264895.7478 274840.4774 242188.5507 246360.9771 291508.8506 258748.6360 249540.6460 330353.5035 193985.1545 289614.7115 174674.4899 295959.9206 148029.5803 285112.9782 323309.7272 146504.4021 356308.8431 147599.6033 293405.8397 311565.9076 125039.5444 279181.0702
Lys-Val Lys-Val 4404232.1650 1606826.3710 2217145.1010 1756993.7140 1634313.5480 3998632.2020 1901060.4470 1903782.5270 4099629.4990 1621609.2250 1805740.4350 4374566.4190 1463777.2370 1896084.5410 4687121.5920 3092027.8550 3048664.9940 2847179.5650 3507890.2960 4652007.4520 2542577.7550 3213279.5710 2697969.7780 3740035.2640 1841176.0070 2932771.8910 3279674.4910 1426402.9340
Maleamate Maleamate 575335.3207 359529.2140 257210.4491 318544.6299 316843.7913 564344.6592 378586.1864 273334.6089 804017.5858 401193.5665 347963.4010 846906.1304 473860.0264 260004.0685 736893.0435 857697.5480 455187.2122 1087180.5260 484649.8756 630146.4941 913954.3684 466558.2926 804733.7771 455911.7136 760687.0162 771191.9799 484545.5712 816865.6082
meso-2_6-Diaminoheptanedioate 2273377.2640 2341937.2220 2543033.4390 2724561.1430 2060306.0960 2714249.4080 2263412.1700 2108521.6190 1881778.2050 2211496.7150 2070845.0170 2239662.4780 2078895.9780 2209937.3890 3189687.2330 2396377.6850 6432488.4790 2451895.3190 4214426.2130 3065483.6240 1774283.6310 4740686.9320 1753846.5400 5348377.1830 2155723.9150 2240600.7110 5426829.7290 2205814.6700
Met-Ala-Gly Met-Ala-Gly 621777.3077 1784818.6210 1528197.8360 1458187.0870 1624383.8570 453539.1991 1955221.0490 1727235.0300 592606.0193 1548781.4950 1676219.5440 561006.4652 1855389.5170 1556987.6300 549813.8371 1861047.3030 3583711.7110 1870942.1800 3797866.6300 371691.7093 734690.5480 1196773.7000 1800963.5680 4747542.4370 989979.0414 1804041.6600 3381461.0400 1217357.0910
Met-Gln Met-Gln 193377.7536 809969.5529 609523.7654 896403.1316 616121.9661 105350.6286 981493.7530 515923.3550 196280.0951 828009.4765 889886.2513 150599.7837 823407.9619 468287.4242 139116.9581 849742.1563 1607642.8040 860557.2060 1376925.9210 148515.8030 887395.1625 1362106.0510 783223.1099 1468137.9710 532677.8094 680031.6882 1198609.0930 449101.0693
Methacholine Methacholine 14046297.0400 17516418.5900 20128827.1300 11946328.2300 11967679.1600 18199330.0700 13683467.2600 17190098.6900 17133957.0100 13593091.0800 16500281.5600 15884002.7800 14353899.9400 14620082.3200 14816002.4000 45424739.3700 39545453.5500 43184654.0800 47612121.2700 16418671.9600 37899570.3600 35916506.0500 44135397.1700 38364074.0700 12201414.7500 43650074.1100 35392803.5400 11548142.0300
methiin 431810.1021 261240.3981 312672.8850 252662.8999 422505.1008 509168.7836 254384.7532 340787.4985 342526.2789 273725.3575 236776.3634 357711.4777 283300.8783 274112.0792 315375.6616 544707.2187 376703.1191 428258.9989 256839.9748 352284.9645 305444.8008 340975.2666 395536.1350 340268.1261 278646.9149 459237.2111 402028.2134 368675.4494
Methocarbamol Methocarbamol 1003184.1570 2603133.8560 941924.1798 1815751.4870 834750.8454 313044.9963 2806148.1600 1126238.1610 943266.6215 1870754.2260 2410807.1640 1107973.8700 2345583.2190 408581.8844 655861.4682 1741456.6010 3104641.0450 2043006.6590 3398890.6570 300133.5092 1490116.6850 2673383.9470 2090329.8250 3769042.8920 2520624.5900 603390.5298 1937721.6530 1525186.2370
Methyl 2-diazoacetamidohexonate Methyl 2-diazoacetamidohexonate 2793087.1450 10046181.2500 9234928.9300 13076386.3100 7725168.5580 802230.4341 8551246.6690 7758955.0490 2679781.4990 10215925.6000 11444876.1400 2753231.0150 8901021.7520 7080577.9870 2614109.6960 4619085.6630 9617085.0070 4217669.8600 6402352.0670 781455.5144 2859285.5470 6329166.3890 2920387.0870 7642547.2990 5334010.9950 2685453.0930 7008475.9490 3432698.0760
Methylitaconate 236412.8734 327681.5315 411120.4071 222815.7959 397770.9870 272719.1794 254971.8567 130433.1659 576069.2445 471823.5791 197567.7010 342033.5689 526421.3116 141907.8541 530887.9642 516136.6799 860141.6004 424314.4352 714725.2962 347363.0775 380446.1982 505393.8246 403990.9110 379791.9898 358006.5140 377358.1124 439848.1835 668256.0192
Muramic acid Muramic acid 3691704.8500 2647596.5800 2643852.3200 2396156.9830 2769558.4120 3439661.6780 2624252.6090 2585379.9730 3434424.7620 2603312.2890 2543912.6530 3360434.9620 2724985.0610 2969838.6220 3629287.3650 3125974.4800 4549307.0530 2917778.1010 3737732.5210 3778886.6220 2778934.5240 3600416.6800 3104170.2620 3400261.6090 3175075.9700 3170148.0500 3774595.1910 2856487.9660
Mycosporine Mycosporine 1310611.6010 1612335.3490 1962781.9790 1423954.3990 1469408.9020 1417492.6750 1553335.4370 1596865.5220 1439297.2290 1492551.1620 2054528.5210 1681102.1100 1497936.4120 1647121.4210 1343244.6250 2045328.1270 1839253.0820 2041184.1390 1636059.8030 1470229.4830 1706436.1880 1509227.5990 2101615.1390 1948446.2470 1240253.7710 2083717.8120 1856988.0390 1394442.8870
N2-Acetyl-L-aminoadipate N-Acetyl-2-aminoadipic acid 5565622.8010 4547490.6650 4254303.0970 4756342.6040 3896925.1860 4813919.5230 4220987.9510 4579436.9390 4735897.5350 5166880.8280 5240433.2510 5626157.4270 4168458.7470 4889144.6720 4431849.6010 4544032.3810 7563024.1370 4723526.4180 6240334.4420 5400421.7820 4207743.0810 6889653.1830 4540839.7280 6379057.1660 4258150.3590 4877320.7270 6334862.5910 3985050.8970
N2-(D-1-Carboxyethyl)-L-arginine D-Octopine 326280.0485 352631.5876 452393.1777 372258.5857 409449.3285 348788.8629 383005.6685 471344.6049 398410.0240 396357.5447 506727.9911 298751.0866 406416.3681 439232.7969 322280.8044 564476.3727 555542.4559 660990.9695 514029.1995 334979.2849 500234.1260 458600.0694 700230.0548 432841.1523 331658.1934 645453.1250 489376.6012 344137.6211
N2-(D-1-Carboxyethyl)-L-lysine D-Lysopine 609960.8604 374444.6806 553871.7406 446615.5495 600688.1320 710029.5413 516267.2511 586180.1495 563965.9266 445034.8999 542750.8265 735407.0165 495346.3211 592599.3863 610314.0972 664648.6388 464182.1199 713693.5730 519898.9050 814819.3145 714314.8571 586297.0590 831884.7878 421426.4215 502724.2825 859972.4469 543789.9705 614444.6659
N2-Fructopyranosylarginine 76580.6561 64370.5911 145419.8026 46013.7230 142007.7033 56101.7594 45862.3405 15472.6395 206342.5127 94438.8512 57262.1536 50094.1983 189144.8328 55918.9415 138599.8576 335231.3960 191426.0214 234578.7426 236742.8181 66215.7878 304538.2109 156523.1909 234993.1162 282570.2754 150024.9108 144956.8832 126912.9649 183885.0889
N4-Acetylaminobutanal N4-Acetylaminobutanal 907909.8432 78156.7276 760883.9740 182219.9477 920460.6408 2255326.3040 143133.4389 600672.7572 604679.2161 196438.7274 145429.6857 958510.7118 238117.5428 1133866.2210 1546259.0460 425238.7453 138102.2904 382408.1289 112870.0835 2507681.9030 829988.8702 496917.8620 636692.0341 41779.0980 177492.4970 886271.7080 549245.1929 768845.1293
N6_N6_N6-Trimethyl-L-lysine N-6-Trimethyllysine 5308962.2050 15369798.6600 16976785.5200 15336502.4600 13487384.4500 4551556.5450 13247688.0400 15317247.4700 5342262.4400 16548110.8900 14955574.3500 5414651.7070 13952953.0200 13505546.9000 4540743.6760 7582174.5420 11694375.3700 6854910.3650 11185069.7600 6145296.8110 6688159.4750 10868521.8700 6920947.8000 13242037.4000 10509247.7400 7823380.1170 11493900.5600 8850747.7670
N-acetyl -D- glucosaminitol N-Acetyl-glucosaminitol 971748.4343 1287198.0980 1412227.8660 1212723.3380 1256010.3820 863022.2378 1284167.0370 1378035.8170 813844.8216 1510183.8710 1441219.5500 870830.6233 1291111.7490 1665118.7100 880765.0426 1331499.1820 1278988.9260 1092393.2380 1128530.0830 934770.0644 1213087.2190 1247048.8910 1116041.1100 1416635.6200 901231.3387 1218613.2820 1147374.5060 905801.7520
N-Acetyl-D-mannosamine N-Acetyl-mannosamine 1420741.8860 1687595.1990 1578827.3670 1642467.1710 1400410.3250 1694102.1970 1545478.3380 1501116.6720 1857476.9680 1629983.3290 1667519.3320 1882499.4700 1398566.5270 1512300.6600 1599772.3530 1684972.1330 2707019.2040 1694200.2530 2364805.4520 1976263.5400 1418751.5650 2621037.4390 1732944.8700 2457927.5820 1376285.9630 1884672.5600 2384328.3720 1213025.2970
N-Acetyllactosamine N-Acetyllactosamine 1790844.7120 1183330.9950 1237830.5190 1126746.9050 1013156.2520 1374049.3260 1118656.0230 1266788.7890 1747145.0400 1195455.5820 1326033.1910 1365013.0100 1078833.0050 1126916.9290 1659730.4600 2110248.7890 1471331.6840 2005340.3410 1554346.7280 1543522.0450 1927284.7870 1363129.2930 2010501.1710 1485212.9160 1258586.8410 2388210.7120 1224298.3110 994901.1937
N-Acetyl-L-citrulline N-Acetylcitrulline 141819.2017 246960.7335 49062.7633 296240.3861 182817.0638 122224.9498 127886.8589 381332.1563 58955.4626 286814.0372 139165.4153 155571.7050 152516.7524 405118.8754 140246.6482 84102.4854 154058.2246 87613.3500 134510.5720 132858.9208 145974.3467 181616.9142 119233.0991 70087.2250 117737.1954 199282.3753 150430.5410 149892.7973
N-Acetyl-L-leucine N-Acetylleucine 477886.8946 3068782.0850 3339687.3480 3319272.7710 2508130.6340 447208.5131 3068080.2280 3386045.1060 424043.9274 2903629.6850 3118292.0180 666131.8773 3627355.2100 3180078.6840 585917.0128 538946.5591 2933157.8410 554296.6810 2987372.8580 564185.2224 522923.0103 2471907.1040 565876.2110 2567806.4140 1564298.0750 578378.7449 2733177.0150 1356378.4520
N-Acetylputrescine N-Acetylputrescine 116821.9140 186486.4253 113228.6704 197713.8386 128763.0462 273894.8674 214936.8886 116318.7969 114646.5076 215016.3565 203129.2175 117045.5772 164074.6490 97832.9668 248206.8919 182644.6588 106070.4249 134522.8364 136693.2311 125231.7953 218190.3838 132500.0913 240391.1377 189816.1880 173058.6436 106078.8082 123476.3477 250181.3906
NAD+ NAD 9949460.4010 9273398.0750 9345526.8810 7815735.1110 9498158.0640 9439486.5510 8709058.0090 10501344.3300 8895075.5550 9793779.9120 9829954.9700 10930081.1200 8018537.5690 10161940.6300 11659549.7100 10929260.6000 7539329.9480 8836463.8720 7368188.8870 9658042.3320 8130703.6760 7773512.3310 8328776.5630 8777579.0760 7865676.7520 10382429.6900 8410171.1390 9112205.8230
NADP+ NADP 787995.6177 731388.5056 652694.7770 828968.4294 857750.0020 838469.5669 798837.5500 962798.9497 706472.7838 1003526.0960 727568.5055 800525.0389 759329.9775 917828.4444 728379.8812 609772.1809 684495.4483 752031.9789 759221.6108 933327.8586 902232.7132 673876.1571 778287.5090 440374.5946 710710.2552 953453.0655 672700.1538 690212.7701
N(alpha)-Benzyloxycarbonyl-L-leucine N-Benzyloxycarbonyl-L-leucine 43677.6739 157471.1944 220510.3680 178130.6258 142663.6599 70788.7037 169797.8292 188280.6385 51081.6574 191486.8662 215813.5237 63672.1518 155771.7273 173050.4733 61673.9703 120417.5047 194366.3730 114959.9899 186520.4733 61618.0779 99702.3338 168411.8176 121731.4317 189277.3671 132350.5883 134849.5970 188987.5839 120419.4211
N-Butyl-beta-carboline-3-carboxylate 239801.1996 232639.1026 181379.1366 281444.7980 100871.4874 152645.8544 310749.0356 152738.6881 239719.9850 207229.3516 244356.2461 306646.5467 313619.4324 108086.9181 196119.8063 166805.6840 285870.3283 223514.5902 262648.2520 181835.1553 180283.1909 255774.6923 211425.3925 382374.8492 216013.9553 143579.2577 231653.2143 264042.0932
N-Carbamoyl-L-aspartate Carbamoylaspartate 1212517.2370 1580368.3140 1569874.0480 1308392.6420 1194271.0880 1686224.3790 1428186.7290 1997434.7870 1035305.2260 1021196.2710 1256254.5530 1068766.2340 885355.4648 1215714.7530 2587794.0600 435575.0508 241380.0581 543112.5414 270082.7101 3686176.8450 790840.7614 397363.5513 508059.2411 233081.0928 876678.8860 660092.7164 299441.9533 640499.0336
Nebrosteroid M Nebrosteroid M 195374.8013 171222.9649 162885.4138 170147.7618 102822.3101 242597.7070 217299.9558 192514.7245 198019.1690 233559.3036 130361.6154 222043.0253 225380.7370 122193.3820 197550.7382 288121.4159 253338.1099 190727.1893 235786.9386 248080.6776 321864.2733 235929.8331 307803.5967 223328.1431 273665.1251 178965.4524 188490.5515 219583.8468
Ne_Ne dimethyllysine N(6),N(6)-Dimethyl-lysine 127771.4186 564387.7543 521534.6621 715362.3288 503478.2835 119559.9939 647500.8534 478647.0524 142631.4201 611600.8704 524399.8365 128101.1774 520478.6266 467370.0222 143392.7739 298553.8007 432741.8975 371339.8343 365568.0635 122652.3319 243238.3197 380958.5162 274604.5016 507397.3698 387738.5841 313742.3563 360074.5127 349246.8000
N-Ethylmaleimide N-Ethylmaleimide 425132.4870 395924.7792 365119.2976 453278.5031 339521.2769 383888.6025 367149.7057 393092.8259 371187.5384 410579.4217 385303.0774 460404.2096 342370.6599 456556.1603 373342.6066 392389.5291 542113.7355 388091.2579 542019.5059 460691.2659 327771.1435 579661.5025 397564.9395 538859.4102 379132.1058 391148.7163 644757.3164 301508.7093
Neuraminic acid Neuraminic acid 142402.5894 130062.3059 119391.6721 151709.2626 126941.9822 163148.4750 113382.5947 144662.7174 138633.5576 158674.4055 118272.0325 150713.0407 137206.2182 140379.2708 136992.6031 122991.1214 208813.8674 137817.8041 181869.0099 137681.6387 120825.5351 178628.7905 140844.9951 206157.4296 152859.6524 172041.7724 180426.6538 141452.9690
N-Formyl-L-methionine N-Formylmethionine 45596.5115 74551.0635 93187.9933 76733.6739 83144.0955 125786.2261 69230.3790 74870.8552 69070.5351 21125.9955 123312.1668 66699.2803 46137.0415 71388.6282 91552.1849 51252.7598 71467.5653 23110.7841 72592.3025 62010.2368 78380.6336 58917.3950 90054.2059 86249.4585 83097.3475 89762.2546
N-Gluconyl ethanolamine phosphate N-Gluconyl ethanolamine phosphate 2867338.8340 304396.7427 431743.3651 319324.1934 368392.9862 202202.2267 873410.9762 639939.4659 3045935.9830 601316.6627 398866.6599 249262.6379 1110664.1820 647279.2318 2612021.2840 294791.2106 400043.0151 318219.0576 384144.6553 307747.9005 373691.8538 491411.4892 374422.0635 486562.2063 237569.6999 528625.7031 548256.6036 499090.6247
N-Glycolyl-D-mannosamine Glycolyl-D-mannosamine 85431.1835 75016.6855 71182.1634 97144.3201 57561.1679 85065.1779 87547.2266 65930.4716 80250.2655 76295.4188 72926.1046 76745.9836 88299.3762 70338.5764 87960.9858 100094.7046 68711.1031 103340.5855 55114.2718 98105.6395 109207.6550 54143.1938 119529.7117 55769.0947 100685.0573 127100.4978 55343.4926 103100.0556
NG_NG-Dimethyl-L-arginine Dimethylarginine 107530.6336 196099.0430 236405.4192 212215.0692 190426.5922 103538.1410 130642.4406 147262.3436 93758.8013 155774.2250 169490.3436 82967.3142 115210.3074 156931.9043 81559.5920 59774.6878 66800.6391 59254.4974 59008.7650 89187.7143 45208.1519 49764.7675 43556.4566 77603.1807 128651.3386 56727.7085 48476.6700 133979.8325
N-hydroxyisoleucine N-hydroxyisoleucine 28708.3770 536850.4309 549210.4169 427633.6512 531219.3559 26223.0972 461115.0885 541405.8369 24622.6184 535376.0291 556192.4562 39620.3277 451851.4983 549887.6435 24543.9686 231367.1317 823636.6844 189231.4709 729603.7063 36602.5381 209785.6992 779496.2367 225829.8825 727147.2779 264663.9099 219084.6436 677223.0738 273643.9109
N-Hydroxy-L-tyrosine N-Hydroxy-tyrosine 955438.2692 451841.1693 788439.3154 592912.2122 465184.8762 1147588.8700 730536.7847 611877.0060 971198.9815 358860.6652 459548.2007 1578278.5510 728067.8951 340491.5144 1218653.1570 504870.8750 423268.7321 709594.4158 609328.8279 1197044.6050 785215.6587 429276.2036 719997.4628 465549.8359 627448.3464 644112.0916 859185.7118 632001.0559
Nicotinamide Niacinamide 1732179.8400 2253647.8180 1794951.9380 2626249.3190 3296053.3440 2242480.8620 2578256.7670 1312664.6140 4561987.5060 2825135.2830 1624003.8770 2541138.2950 3488972.7890 1062642.9820 2890131.8210 4302835.5540 3570527.4570 5626731.6770 3178632.4500 2032780.1750 3117088.1950 3007119.9060 3635719.1890 2048280.8040 3887199.2960 3387814.5910 3193362.3060 3792941.6900
Nicotinamide D-ribonucleotide Nicotinamide ribotide 490512.7415 570645.2587 595943.2356 481263.5841 664555.8839 694366.4596 557123.6222 780548.4532 660924.0730 563181.1296 776090.5675 739304.0032 594761.5122 867731.6342 456898.7405 968876.3907 834302.8011 834251.7122 792269.9021 674686.3208 877048.7601 844968.3744 907813.5099 781299.1714 613724.3153 926639.3440 798941.9038 622389.6523
N-(L-Arginino)succinate Argininosuccinic acid 905082.5687 1060040.5240 837579.4367 1078737.7000 824225.8573 1036118.8220 1338889.7940 1169037.0750 1049654.9150 1157173.8280 1037582.5530 952616.9211 1205785.1310 1140830.8380 861915.3030 715186.4790 923526.8460 746864.8303 857075.4307 1126428.9930 687664.0169 892772.3262 716192.2085 949444.5284 1110926.2330 755349.9554 939758.8307 1243721.0260
N-Methyl-1-deoxynojirimycin N-Methyl-1-deoxynojirimycin 4193953.6120 6099396.8380 5916990.3920 5625889.6020 5049747.9740 4899385.0110 5783128.7430 6602901.5150 4932851.2770 6205633.1880 5405513.3020 5552308.2160 5938125.4100 5977419.3470 6201581.7930 8470176.9650 10155641.7700 8266369.4290 8766676.2960 5688820.2130 8786405.5850 9285028.6180 9894871.3010 9761273.2830 4892961.0230 8773884.2440 10232374.8900 5552959.2820
N_N-Dimethylglycine Dimethylglycine 1509323.1750 2883077.5660 1642858.6030 2528094.6940 1482428.3440 832309.2636 1339991.7710 1025282.7850 975167.5888 2265866.5470 1486392.2310 791856.7572 1296742.8480 1050215.5850 992056.0083 684817.3515 701631.6994 668384.7381 623528.8124 935540.7576 588980.7566 618280.2038 655802.1717 579396.2662 1246237.0280 689969.2546 599563.1155 904595.3997
Norepinephrinesulfate Norepinephrine sulfate 108468.0823 59947.3398 63065.4316 50506.2557 82364.9597 44590.6861 45096.7275 88220.3954 94161.6658 85259.8869 75871.3884 63727.6254 46278.4939 90805.5444 117957.0898 54119.3044 74974.8853 55732.3195 12378.8170 49371.2447 39601.7730 302186.3774 41071.9687 243688.9721
N(pi)-Methyl-L-histidine 3-Methylhistidine 2069734.1220 4470866.6380 2726761.7970 4056835.8470 3013801.9630 925350.4123 1637418.8180 1254796.4370 1193950.8120 2577417.0280 1919852.5210 994571.8212 1723727.9690 1194804.5110 1936624.9570 1390657.4770 709930.8109 1318773.1090 541567.6159 1183506.2580 837718.2023 391071.9997 950211.3427 513298.4946 2277249.7840 869328.0580 393686.2873 1457928.1210
N-Ribosylhistidine N-Ribosylhistidine 146370.9426 206236.3885 192523.7638 210192.5932 157377.1379 122557.9512 183947.6892 171651.8203 122567.7387 202106.9435 186700.8394 181156.2776 209071.7822 206230.4797 151880.9141 161540.2885 165854.8295 181826.2224 206856.6234 189905.6336 191232.1219 167489.9163 202527.3716 178729.1740 178355.6691 226528.2105 182244.7511 153266.9495
N-stearoyl tyrosine N-Stearoyl tyrosine 708238.3930 914714.0331 535493.0221 966345.3520 533636.8350 596830.7938 606813.6736 463349.2860 568352.9943 683274.1369 474131.9482 621414.8709 748797.8535 398070.0944 677566.3074 1246783.4950 953232.7713 1186153.0180 981467.2933 675842.3141 933958.1944 731093.2565 1198465.6550 874564.2120 881398.4734 1240897.4860 714193.5729 623376.8831
N-(tricosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine 6742401.8150 7143473.2720 8516042.2460 7621600.8200 9054910.6870 8080200.4880 11330259.5100 8762268.2020 6522925.8690 10469213.0100 9549099.1140 6589164.4120 11547271.4600 11604280.5900 6192104.0610 8196945.4500 13156172.2900 8765202.0670 8539951.9100 7424784.2300 11146932.4600 11300383.6700 10108429.6700 12863693.4700 10420186.3200 10016851.1800 8480255.8990 13262319.3700
O-9Z_12Z-Hexadecadienoyl-R-carnitine 2415192.5560 3517389.5860 2424169.9500 3190093.8140 2151980.1010 2243329.8490 2702422.9020 2215862.5820 2953800.4990 2760217.7190 2663148.2520 2688795.8280 2513697.2580 2186963.8630 2358231.6980 2990137.0910 2277560.5790 2628347.7440 2771777.6160 2739472.5050 2450698.0170 2103159.5700 2666478.8170 2296928.4320 2199643.8870 3394675.0380 2521902.8280 2092628.4420
O-Acetylcarnitine CAR 2:0 42212048.9100 61393329.8500 60275883.4300 56745059.1200 49200458.7700 41760288.5000 52467817.1200 51369633.4300 43308810.4900 65263723.0300 53432826.6600 45057097 58778819.3200 46220439.6300 46895868.4600 84018690.8700 77706046.8600 55370422.8100 81620779.3100 58914058.2300 47538388.4300 81333971.6100 53460779.4800 77182160.8400 38919841.2100 56299090.5600 69383911.9000 34915085.6800
O-Acetylneuraminic acid 427904.1159 477244.2158 304878.3216 425643.8409 544482.9400 424480.4949 568844.2854 421585.2054 469772.9549 395638.6833 345032.7141 421745.8298 533552.7040 456131.7354 379584.0087 446299.9001 516877.2061 468682.8815 451180.3965 467048.0222 422351.9843 444540.5387 340464.2800 407485.7720 493320.4540 386172.7815 714989.6481 488475.4688
O-Butanoylcarnitine CAR 4:0 745252.5347 1062495.9350 860837.7020 731013.1792 833131.4886 817741.4928 805399.1865 815346.5305 783432.2301 847863.0940 934838.3721 779832.9799 870987.7322 822936.9804 735056.9865 1660030.8770 1453612.5890 1584826.0310 1401081.0420 977323.2132 1450727.0320 1333085.3880 1727150.6750 1344300.3290 823890.4559 1780445.7610 1688684.5710 699987.8099
Octylamine Octylamine 152168.8237 145138.0579 89142.7436 111902.8407 90427.2040 310638.2813 114373.6315 87284.2258 490162.5005 125068.9044 119516.8054 653145.6729 93694.5807 103712.2436 277945.2056 367087.1381 355064.0768 193198.7492 276315.0328 408547.3561 320966.6583 410196.2795 146380.8842 534140.7521 140894.5009 293849.2875 309438.6463 203786.4903
Oleoylcarnitine CAR 18:1 8559462.2570 12622125.1600 7631258.6360 10331959.5500 7978452.7740 9288454.7660 9151363.4510 7959617.6790 11082389.2200 8611771.9920 8566103.6170 10536912.7400 8500074.8270 7015017.0790 8889601.4390 14412962.4200 13156172.2900 13112172.2000 15795132.2900 10029505.5000 11868204.5600 12523992.0900 13169433.0300 13544712.5400 7745367.2410 14403793.3000 13246019.5400 6771286.0110
O-Palmitoyl-R-carnitine CAR 16:0 7608410.8950 8333520.2900 5640495.5140 7506346.1970 5524235.7420 7123641.4340 6275139.5970 5706975.6440 7171645.1880 6112830.7910 5864024.1790 8492437.1300 6010902.0890 5795972.9800 7150331.5930 13729883.6300 13156172.2900 12399554.1400 12847715.2600 9509457.0660 13573029.5200 11660268.5000 12599944.0300 15209425.8100 6394535.2540 15061834.6200 13316104.3000 6139891.3460
Ophthalmicacid Ophthalmic acid 133275.7769 101370.9127 165594.6316 112412.1740 141761.8692 82927.2876 70780.9891 123848.1499 165584.6454 102719.3180 117969.4761 77530.4528 86514.6424 139403.9499 127996.4915 364788.1511 125745.2859 384424.5707 112654.6481 121219.7725 356983.1348 108540.1177 365315.3116 98812.9107 83743.9259 341601.5866 127317.2882 68824.4948
O-Propanoylcarnitine CAR 3:0 5915168.1950 7239356.3440 7188866.8310 7440438.7880 6522068.5370 5789509.7140 6773000.7870 6184572.1020 5723681.0930 8527342.8540 6412895.5130 5887185.4560 7090816.1470 5772218.2960 6699409.7800 12022186.6600 7212022.8460 12827124.9800 7226096.1790 6755553.2170 9048686.3490 6660660.6240 12172827.2800 8323566.3660 7294369.5530 10309313.9900 6590982.4390 6336378.9220
Otonecine Otonecine 548069.0897 1048297.0100 849861.6157 1075386.5730 896853.5230 589623.1794 1131749.1180 1005014.0190 621428.7071 910853.7204 951686.1250 645028.8590 815303.3715 1073747.7710 643340.6575 1259947.7890 1190973.0750 1151397.4780 1154528.5680 652232.9975 1172191.8280 1433029.9040 1171252.5350 1335212.9810 877700.4762 1264553.2490 1274981.0690 833043.3259
Ovothiol disulfide 420309.2278 137267.7486 458353.5737 361587.0811 143925.6447 316701.7539 395198.9658 390631.8784 200410.7648 170611.4539 209441.9677 665694.2876 184596.3581 636961.6656 129630.1364 620579.9578 170902.1905 498217.0909 190148.5703 126219.1908 710233.4777 29270.8837
Pantothenate Pantothenic acid 563264.4671 458888.6299 521811.9519 432495.5747 481014.2690 574688.4486 483118.7793 483901.7379 563740.3144 387281.3333 469852.2316 588262.2246 438944.8163 537707.1645 579957.3161 1611343.2410 999132.5215 1276528.8430 1115667.5360 658929.6890 1325777.8700 1082920.6250 1459820.8840 1172511.3780 456198.4289 1375809.5740 1284566.2980 452534.6680
PC(18:0) PC 18:0 11046827.3600 13137313.9400 13714145.9600 11219862.3300 10384652.8200 8004684.5950 10371545.2400 10100019.0700 8530523.2780 13255374.5400 10181024.7900 8256536.0990 10264241.3000 8195113.4100 11595132.3100 12636957.5700 13310045.6500 10831794.4200 11940817.7100 7145374.8360 12851757.4200 12164107.2600 11247407.6700 12636687.1200 10776432.0100 11771628.0300 10863137.7200 10555723.5800
PC(18:1) PC 18:1 1370658.9720 1552410.4140 2018678.7370 1361427.4780 1668751.6530 1225543.8310 1267184.5030 988674.1451 1123822.0730 1629600.6540 1923239.4670 865081.9117 1604743.6610 1180072.8930 1753139.3970 1812187.3600 1164385.2010 1463453.8150 1528407.9460 603193.8697 1538776.6520 1355830.7390 1832925.6040 1740148.8090 1383019.8970 1550145.5570 1589033.1540 1220937.3530
PC(18:2) PC 18:2 1869520.0700 2374207.7890 3232813.5060 1842592.5860 2028564.5180 1354651.6530 1305292.9600 1075332.5600 1397514.0700 2133918.7910 1889758.1130 1190533.4320 1855640.3090 1341257.0880 1427658.0740 2435833.5120 1577625.3810 2157513.8690 1604336.5270 1258662.8220 2462680.3130 1511021.6250 2232928.9800 2274796.0690 2359245.2950 2081234.6200 1533047.8710 1550122.3300
[PC(18:3)] 656799.1797 594175.6477 463539.2047 521751.4966 452405.2629 370432.7796 407091.3490 334423.0860 426196.6542 532527.4955 478928.5713 359397.9735 471231.9696 401300.4852 443624.2063 575975.4917 803306.3114 587633.7107 611672.2134 384798.7407 617781.7663 598111.7181 642378.3817 585520.9449 400286.6704 592356.1366 546235.8410 348877.4906
PC(29:0) PC 29:0 102937.1013 166869.9014 99785.0660 138844.2828 89657.8532 156645.6363 154132.3972 128437.6701 95162.4700 155633.9275 200836.7754 151551.6689 131964.5513 86839.4373 94790.0758 87020.2565 103547.7794 81609.5651 99918.1223 117247.3106 68283.1217 78236.2292 87094.0098 97813.4502 101704.8105 88280.2928 90535.2897 145988.0253
PC(30:0) PC 30:0 1919182.3260 2291206.1540 2004083.5400 2047128.2550 2018539.3700 1918134.2510 2452886.3560 1582761.7820 1879856.1040 2167324.8680 2001296.1550 2144280.0240 2304613.2590 1894987.7070 1563710.6860 1063919.6320 1632971.4170 883289.7219 1875717.4940 1877215.4860 909523.1349 1987448.3190 1245578.2340 1909322.6470 2457853.8780 959929.8371 1563597.9930 1968189.7690
PC(32:0) PC 32:0 13607350.2500 11505882.8000 7907753.5150 10493396.4200 8864947.5260 12611154.0300 12899064.6700 8360942.9400 13925896.9800 11229075.2400 12849155.4300 14311329.2400 11547271.4600 9703014.2780 9791445.0640 13320036.3600 11001945.2500 10689270.8100 12394266.4900 12629747.6700 10884651.6900 14035508.3800 13738922.0200 11425986.5600 13448274.6500 10309313.9900 11774239.6000 11548142.0300
PC(32:1) PC 32:1 9729987.0100 4739057.6030 4971271.1820 4668172.2440 4241479.7350 8004684.5950 5262546.4610 3827523.9630 7947239.6350 4716735.9070 4838419.6890 8806971.8390 4918726.2710 4034145.8680 6570574.9770 4285956.6770 4614680.1500 3521874.5810 5412340.7600 8395067.5660 3405099.0290 5451636.5350 4070830.1380 5047393.2400 7062702.0930 3339475.2420 4929543.3180 6900669.8610
PC(34:1) PC 34:1 95836714.1600 78136965.2600 76865576.1200 71677969.4100 59965037.9100 89108753.0400 80444842.5300 64680254.5900 83847023.6700 73453349.3400 76533220.8400 96719422.8700 85000748.2700 59988230.1600 66349923.7900 92898715.1000 62934204.2900 77675367.9100 65145473.8600 89894086.3200 74750017.6600 68162186.8300 98948713.0100 60081015.4000 91733264.1800 78964958.1900 61043825.5200 87513263.8400
PC(34:2) PC 34:2 74620953.0100 86723444.9600 86819391.7300 77166822.9200 60788211.6100 65245731.0400 81752180.1600 63676941.4300 62484260.2500 81980692.1900 78639639.7600 71478012.5100 89010217.5200 58480329.3000 54625956.6700 64209406.0300 65165368.0100 57009444.3400 66203521 70578001.6600 52980714.2700 66362762.6800 69335285.2300 61291715.9600 89952035.7500 56591553.3700 58170350.3800 82460951.7000
PC(36:2) PC 36:2 33067324.2800 31254786.1000 30912127.3800 28735762.5100 25201779.4000 29602229.8200 33467843.4800 25216603.9100 29237092.6000 30647776.7900 30823930.2300 30195332.0200 31354049.6000 25372071.1200 24929534.4700 30465313.9200 22850193.9800 26865700.6400 23579336.2500 29568468.0600 27801760.9500 22960652.1600 33742223 20581909.5600 42749482.3400 28003313.8800 20464749.7700 32388929.6100
PC(36:3) PC 36:3 27214700.5100 24900791.1300 23170270.7900 22439724.6600 20136095.1000 25222308.0600 26669687.7700 19263612.5300 24935375.7400 24315591.5100 22398254.5400 26263648.1600 25179466.9400 18488175.8500 23061429.8200 24590836.3500 21465333.7400 22803777.7300 22143415.1300 23699350.0300 22883996.6400 20945297.1100 26908355.0500 20581909.5600 30726190.4300 25590495.7100 18922885.0600 23276723.7800
PC(38:4) PC 38:4 12290509.9100 13223178.7400 11778681.8100 12269201.9700 9688121.2250 12913217.6000 12637597.1500 10100019.0700 13561344.7000 12242224.8900 11725732 14389962.9200 11386892.6900 8850722.4830 12046054.1200 14891117.5700 14925715.9300 15392549.9700 16853179.4300 12183991.8700 14359871.8100 16698656.1200 17511786.6200 16874139.0900 17990407.1500 15354297.4300 14787884.2500 12811220.0700
PC(38:5) PC 38:5 9437355.8220 12879719.5500 12497568.4900 12592075.7100 10827900.1900 10798772.6100 12550441.3000 10100019.0700 9915821.9300 12073366.6200 11936373.8900 10694180.0900 11787839.6200 10161940.6300 9276105.8500 9153255.7530 10694198.5300 8907725.6780 10731620.9800 9137993.8990 8392984.4390 10652590.9700 10749104.7900 9988279.6390 17456038.6200 9870619.7740 9321273.0130 11277482.4500
PC(38:6) PC 38:6 6840991.4570 16486041.0200 15760208.0500 16305123.6700 12474247.5900 7541671.7390 16123830.8400 11839095.2000 6601470.1150 15619390.3800 14674718.4900 7663051.5660 15075604.4100 11604280.5900 7279166.3960 6789004.6290 13002298.9300 6926142.9530 13830187.6100 6772392.3850 6688159.4750 13387715.6800 7972845.9410 12636687.1200 18168529.9900 6938549.2460 12264832.9100 11818801.6100
PC(40:6) PC 40:6 2516314.3720 5157224.7460 4161323.1220 4403964.2620 3233904.0460 2621928.0200 4772100.4900 3936547.3140 2797529.6970 4035221.8010 4178041.5590 3320658.1160 4508243.6250 3242186.1700 2451730.0140 2985020.8310 4446447.3280 2824550.5570 4365230.8050 2756826.3350 2667585.8490 4493406.8260 3343170.2010 5474755.7830 5043707.2760 2909291.5140 4387318.5600 3304954.1970
PC(40:7) PC 40:7 711776.5327 1200459.1980 1435860.0220 1248821.5300 974975.1607 729242.2474 1246731.9690 1014303.9470 719370.0965 1402046.3990 1291669.5120 753146.2334 1296520.5230 909063.8526 686428.2094 687239.5912 798633.5137 698993.3315 880226.0689 591240.9279 581835.4500 711255.7299 671434.2887 731688.2563 1576939.4530 716246.9008 756135.0087 958849.6761
PE(15:0/22:1(13Z)) PE 15:0/22:1(13Z)* 9510513.6190 8396958.0610 8847836.1000 7735375.0670 8611663.3110 9741550.1210 10807324.4600 10501344.3300 6939593.8100 10215925.6000 10391666.6800 11165982.1500 8099127.9010 8719600.6690 9791445.0640 10041258.1800 9924831.7270 10546747.2000 7557479.5660 10549553.9300 9376537.3030 7557581.4330 11460966.0400 8550572.7210 13002967.5400 12064090.8400 7779408.3040 12721000.2100
PE(19:0) PE 19:0 7302246.9780 6932310.6990 7907753.5150 6655768.8370 6307849.6130 4232893.4500 6056386.2770 5058677.8270 4513498.0440 7072988.9110 7021396.4070 3977493.8710 5486738.5590 4931467.1880 6763827.1820 7718790.2990 7094605.1630 6481028.8900 6648004.1620 3737169.4510 6819299.8570 6592368.8790 7545729.1940 7793884.8700 5834220.0160 7112112.0300 7218730.2280 4916594.4040
PE(32:0) PE 32:0 830792.4718 1197001.1000 621182.5867 1220535.1670 751042.9452 791715.8844 1260223.2570 881566.2855 816514.0733 1034324.4740 827323.8540 985384.6556 1165647.6370 713272.9230 709647.5424 658913.2531 897001.4830 756832.5305 1003536.4560 752637.8663 621496.3586 995328.6163 803442.2828 1044133.7980 934703.5154 696418.1966 913874.8645 855350.7501
PE(32:1) PE 32:1 746873.5747 1205047.7050 762176.1037 1198608.9130 688352.7274 604257.4514 1228368.0150 888377.6949 659591.2243 1056895.5480 964033.9527 797374.5806 1233063.7560 648073.2563 619105.6634 470339.6626 1066520.8790 541368.5869 885049.5358 621005.6678 548319.4928 919871.6539 633550.1900 973938.5141 955627.2718 567014.5084 872631.2977 1041889.3880
PE(34:3) PE 34:3 566139.5228 845870.0538 521147.8803 758517.0270 523383.2963 398079.2422 780436.2825 573150.4979 537939.4004 740071.1477 725879.5528 664393.2867 851456.0037 397008.9092 404885.2316 498872.7601 980744.2702 560606.7802 930712.5831 426529.7022 455263.2204 893428.5762 633723.6172 1051267.9450 609095.2366 531671.9318 824642.7735 586822.2206
PE(35:0) PE 35:0 3958928.3360 3050627.4760 3520407.1650 7610577.9110 5805998.6010 4162897.7690 4126769.4350 4546497.4990 4707943.3020 4090771.9520 5165500.5580 4254799.4650 3642883.8850 5037351.3320 3939321.2330 3448942.6690 5280712.5260 6792618.9960 8086503.1360 8395067.5660 7606142.1480 10292706.1400 7972845.9410 11047642.6300 6774728.6660 8627652.8400 9111018.7340 7545891.6220
PE(36:4) PE 36:4 2905478.5540 3525438.5520 2718672.1100 3600643.5100 2508950.3250 3011782.0240 3348155.3090 2637521.6560 2727404.6030 3438655.6500 2998806.1070 3005612.8790 2953121.4560 2352327.9760 2465405.6670 3422941.2750 3078615.2900 3233534.7070 3253642.7020 2389074.6430 3401107.4440 3155044.0870 4195069.8570 2524681.0710 3955520.0940 3482404.7410 2817369.3110 3518330.0300
PE(37:1) PE 37:1 16241030.9500 21036875.2600 16810888.5900 13399260.0500 18299784.5400 15707305.6200 23793544.9700 16053010.4500 29747465.7900 25666457.7000 27594087.8800 28622658.4800 25500224.4800 23536365.7100 21966333.9900 25478838.7700 26927838.0200 33778095.7700 23579336.2500 16567257.2300 21834873.5800 17634356.6800 24772771.3200 26711081.1500 31527743.2200 32317140.3000 19974156.4600 38163000.6200
PE(37:2) PE 37:2 26629438.1300 36063214.7400 24331549.2800 32610247.3400 35396469.0500 13064249.3900 24142168.3400 19731825.3400 17717240.6500 17814547.9400 15587500.0200 9042872.8700 25500224.4800 20848368.5200 13334402.1600 15369272.7200 14079412.4500 23231348.5700 32497162.1300 11366772.9000 10950221.8900 17058540.9500 27477844.0500 29662163.7800 35179261.5100 31147289.0700 28174073.3200 39967397.8200
PE(38:1) PE 38:1 2751999.3480 2683923.1850 2277037.9010 2214325.1900 2086505.4980 2223647.3870 2811914.6080 2546615.6320 2349087.3790 2526866.9820 2655117.1790 2516535.3900 2470181.6860 2167821.2260 1667675.2190 1899383.2210 1636811.5190 1644850.0280 1401179.4780 2152489.5660 1516160.5100 1384324.0800 1895218.0900 1370452.6910 3031887.9150 1723481.6830 1470477.9500 2822083.0740
PE(38:6) PE 38:6 1462613.0190 3304987.5550 2423808.5710 3671964.3000 2377066.6590 683617.3859 2915020.1880 2445167.4620 1377887.8510 3035524.6720 2918085.6770 1761568.5410 2972912.1970 2526433.6520 1369497.5340 1945639.0970 3208672.7080 1686453.3820 2582370.5510 1605444.4900 1446204.9840 2477554.2360 2045477.2280 3176637.2700 3392152.4980 1699907.1700 2412318.8240 2344056.3050
PE(39:2) PE 39:2 8925251.2420 14167691.5000 9400825.8560 5655884.1690 7155279.0750 5489505.8410 10371545.2400 9765581.3540 11957314.6800 12748799.7100 12849155.4300 15884002.7800 12028407.7700 10751988.7900 11015375.7000 12432033.9300 11309691.9700 11473150.6700 8539951.9100 6106525.3430 7999563.2940 7557581.4330 15376202.8900 10669298.7000 15229503.0800 9212578.4560 6378308.8340 11457922.1700
PE(39:3) PE 39:3 9364198.0250 9273398.0750 6746475.0260 8717590.8740 8674984.3650 3416115.4460 6797014.4010 5625251.7750 6906303.6260 6428027.5560 5042771.4640 3855540.9010 6933940.8510 6016234.0270 6156595.9010 3326430.4390 6278441.2420 8123845.8180 3000099.6540 3408986.5720 3106137.9730 3366480.0240 10535546.4200 7100692.9660 7556196.3280 8481421.4360 5444800.5130 11457922.1700
Pentylbenzene 751407.9403 1161866.1910 98700.2298 502375.8437 705214.0159 855727.5914 1591740.3320 750301.4044 765124.0502 350738.1033 257904.7739 990503.1947 250699.9719 957183.5673 833726.1787 353587.6860 342737.6840 582329.6849 258198.1966 710103.5296 356002.0327 549268.7106 809214.0007 311761.2039 350403.2548 958960.8284 1055601.4540
PE(O-38:5) PE O-38:5 3138426.6970 3945497.7260 2883092.0010 3571917.4330 2271290.2640 3293991.1440 3533257.7590 2583142.7520 2920339.8860 3587215.0490 3183081.2520 3922474.6740 3928763.4530 2472112.6700 3092826.0070 3536683.7980 4234043.2340 3417800.6330 3764238.4910 2695745.5320 2775251.4460 3811116.2920 4086035.4940 4449757.0130 4863299.1170 3262020.4880 3379900.6030 3910479.2210
PE(P-36:2) PE P-36:2 734301.5440 511302.0046 479439.3883 631571.9026 506921.4054 708005.2906 559685.4047 641022.0408 718003.0710 659138.1156 639623.1897 907297.8757 532254.8889 517036.9168 617388.4162 1002886.7130 834400.1260 922466.9683 832286.7088 852330.9652 813566.6519 978291.8484 1051242.6060 942367.7944 661434.4632 851230.6422 832481.0530 633276.7647
PE(P-36:4) PE P-36:4 1398603.6050 1812463.3290 1178073.2020 1519736.7090 1021972.2050 1536992.8930 1813387.4440 1260450.4410 1544490.6110 1581438.3690 1375710.7120 1562855.7350 1461193.0340 1127925.8290 1230767.0100 1612375.8860 2047922.8610 1618291.4650 2198110.6920 1361942.3980 1406384.6990 1967702.5190 1957782.8630 2672106.1870 1981035.7260 1638180.5180 1868041.8080 1685520.7990
PE(P-38:5) PE P-38:5 2413333.0680 3546719.2830 2556062.9840 3139642.3710 2082013.3440 2454803.2330 3271190.1640 2529782.7120 2453435.5470 3011781.0880 2755592.3080 2779661.7600 3370937.6230 2093284.0470 2368667.3170 2411456.3080 3471893.4790 2536624.7150 3293492.1580 2400238.5970 2083448.7210 2774038.5160 2541785.6420 3643935.5280 3316208.7100 2231799.7740 2799836.0310 3140995.6170
PE(P-40:5) PE P-40:5 1432505.5680 2308303.1230 1350014.7210 2145846.0920 1329322.3100 1389481.0930 2052749.3080 1364331.5620 1535768.8800 1998683.1550 1875220.1370 1680393.0310 1959259.4290 1320618.6780 1114613.5780 1519180.8850 1772559.5590 1479357.3120 1691282.1170 1252589.5850 1164751.2510 1698039.0160 1507350.7030 1928192.5500 2538881.0690 1267220.0530 1684267.4790 1878270.6800
PE(P-40:6) PE P-40:6 1275726.4880 2610528.9620 1632571.3350 2463624.2760 1720762.3000 961354.1244 2592798.2840 1722588.5190 1189855.2500 2478920.9410 2337680.7250 1341112.3040 2365286.5530 1628245.7800 1013676.5010 1283216.7830 2579339.7060 1224639.6490 2440512.3140 918559.9690 921053.0792 2265748.3380 1188634.1400 2782001.4770 2459349.2190 1020297.3600 2304602.2280 1767590.4220
Phe-Cys-Arg Phe-Cys-Arg 146675.3732 121854.5157 124175.1705 106041.9285 188268.3584 195440.3438 103737.7115 138913.8299 96267.4885 123899.3280 116731.7823 517806.3127 148107.5857 332183.5588 101747.0787 467685.2270 111881.1630 437116.4859 53929.1260 134599.1871 403893.1250 86022.3595
Phe-Trp Phe-Trp 1412425.3070 533497.0350 2189829.2040 675504.6760 1849757.2600 176556.2508 88423.3948 169657.4637 332385.0270 238361.1052 401991.8396 153693.7854 153233.8210 131926.4108 1688965.8150 408596.2564 181809.4293 246180.8103 152075.5361 185547.8599 111889.0455 163724.0815 147643.4925 158389.5937 227183.1343 143824.4580 142652.8958 110971.2732
Phosphocreatine Phosphocreatine 167931.8942 363476.5261 228323.6640 305615.3277 211077.9228 175863.0386 295488.5107 256079.0649 138179.2570 357294.9796 219521.8961 178865.7278 356379.1440 239830.5472 94286.1204 209657.5430 216121.0248 216724.9657 239775.4457 143918.2963 240147.8942 270702.8276 243094.2306 235421.7412 219488.3527 265170.3160 187138.1566 284413.7375
PI(32:0) PI 32:0 71637.6466 99249.7839 67582.9173 91009.7191 75292.7350 68740.0402 114298.2961 102397.8269 57794.7965 121694.7072 100383.7635 108349.9212 97343.2603 90906.4672 76330.3685 61819.3347 77967.4212 57343.6622 58392.4171 64047.2323 59712.5035 68897.7352 70368.9356 85095.1295 79136.2776 83857.2726 59510.1848 116342.3363
PI(34:0) PI 34:0 115972.7120 192524.7196 137546.4382 129531.0152 130471.1119 146934.7173 202803.6242 210917.8497 124710.7137 238057.4505 244781.9622 161575.2389 209230.4194 223445.4218 104763.1578 149918.6742 181227.2711 142542.8626 106146.0640 142979.1097 122774.4247 161816.3883 144407.9274 199869.7556 191836.2285 150260.7190 119032.6345 223300.3834
PI(34:1) PI 34:1 121507.8423 327878.3498 184791.7747 290901.8707 234046.8436 165428.1228 376176.7086 298010.5733 138899.6579 379448.2618 373399.4408 225975.3235 313395.5787 366035.8468 157064.9246 153035.7976 390421.9149 158841.8628 278095.1262 130539.8298 159483.7731 335636.6450 163539.7434 388831.7612 273466.6016 181898.0318 243370.5758 351636.3011
Picolinamide Picolinamide 523666.2548 544288.4690 519836.3268 435518.6819 495679.3063 472396.1782 494463.2561 534389.6262 480338.3179 608314.4134 596463.3242 613015.9096 453894.0222 582094.5212 753503.0705 644197.8149 497661.0200 528579.4534 400931.6595 590634.1892 447162.4741 426070.1246 521636.3482 527811.2001 469015.0354 541547.3498 483427.6316 566548.4085
Pro-Arg-His Pro-Arg-His 155658.7707 163298.7308 104412.8386 138960.9840 112771.2349 138645.9278 141909.5530 125624.3068 128670.5033 140068.3079 127143.4461 128597.4419 141557.5824 128748.3868 115650.4435 134725.6892 143409.3826 122708.3640 134519.1804 132581.4842 119523.9566 121748.8806 149644.7458 124904.9975 166031.2801 141839.1611 131902.4522 140202.8319
Procollagen 5-(D-galactosyloxy)-L-lysine Galactosylhydroxylysine 110466.6161 123671.3354 162442.5036 111012.4659 119858.5329 110814.3686 111848.0594 135196.0711 119267.8229 147756.7814 148374.3167 120651.5948 127056.4723 150664.0049 113456.2158 108649.4553 167978.2098 116684.4810 157739.5010 128543.2037 136760.4747 166679.6582 120242.5628 160190.9718 143126.6863 127211.5766 165349.3633 102383.1883
PS(18:0/18:1(9Z)) PS 18:0/18:1(9Z) 211455.8453 377328.1815 284257.3681 335526.9560 309764.4777 376406.2047 413482.1056 493818.4432 217713.4450 349463.6231 575744.8949 423250.4360 356121.1597 595815.9683 299261.5881 395878.1405 326936.3872 274876.0465 238951.1608 332013.9409 74340.2757 335454.3184 371277.7947 323944.5956 382644.7996 374505.3205 220357.0185 446145.2129
PS(34:0) PS 34:0 654163.7158 776513.9983 568517.5361 809184.8965 581849.7228 529867.4537 1055870.0430 933003.7262 761920.0914 934563.9550 1167586.2530 970992.0388 1198561.6710 634372.1740 501108.8864 301043.3454 381453.1898 362621.5760 359834.6761 532241.3403 347031.8748 366922.2206 371684.1562 425236.5813 1283956.2100 338849.7629 312560.7690 1275837.8300
PS(34:1) PS 34:1 666799.8506 707841.0510 598069.2738 697856.4680 676260.7016 846474.5347 863106.7584 718980.2252 769785.4891 719990.9967 788050.6386 801649.8449 832558.0223 774321.2730 584113.4061 600654.6587 558143.8293 589028.9723 449321.4454 712675.0230 523445.9736 495756.9185 569152.7303 486674.1015 845678.3308 687896.3787 406739.7051 737363.2476
PS(36:4) PS 36:4 537968.6499 591169.2528 547847.0207 733809.1648 514479.6042 427691.7611 571422.1373 569706.7927 584950.6038 547700.6779 582893.2469 672889.8521 644087.7071 442396.7253 465795.2668 413479.3305 399781.5265 484276.7906 417708.1778 495646.5535 372805.2219 353436.6612 476469.8645 410613.1156 668764.4408 520058.5535 369524.6978 625439.0272
PS(38:4) PS 38:4 20411025.3800 24471467.1400 18635754.7900 26072054.1900 17413289.7800 18425877.7500 25013726.7700 19598050.2500 21508584.3300 23386871 23521677.9600 24297806.2300 27504959.1100 20127198.5400 18681046.5000 24864067.8700 30774672.0200 28362198.5600 27206926.4400 19390377.3000 22687286.0600 25479845.9700 28118519.1700 27165093.8700 26094996.5100 25663611.4100 24389496.3000 26253979.1500
PS(38:5) PS 38:5 3195410.7680 4105086.8960 3733497.8970 4382170.2850 3142501.0550 2534902.7510 4111845.3050 3580893.2020 3193430.9180 3918542 3895922.2030 3561282.2800 4628119.5390 3139793.4730 2638389.0980 2683092.6630 3522786.7080 3260974.7780 3087160.4960 2614245.3990 2855552.9640 2903862.6500 3215195.7010 3192868.9810 3287089.8560 3050257.8570 2838516.5110 3369644.0920
PS(38:6) PS 38:6 696138.5048 795446.8104 654026.5838 832783.7379 632193.8389 528559.9905 806705.5982 601405.3012 731861.6625 734196.9377 787621.1047 806238.5131 856110.9975 516485.7134 643621.0745 399858.4406 547555.6111 356065.0668 459952.5992 630770.5986 303467.4907 500979.2073 392205.7811 543621.2469 898509.5664 357805.2600 433916.1219 912851.3631
PS(40:6) PS 40:6 6758362.6510 14682880.2900 11115094.1000 16547278.9700 10764579.1400 5841172.4020 14467869.8400 12507970.6400 7193820.9030 14690669.8700 16921565.3400 8728338.1620 16037877.0300 12325450.5700 6441740.1730 7582174.5420 16387512.8500 8693940.2610 15492833.1100 6635305.3890 6138510.7930 14971208.9300 7972845.9410 15058088.2400 12824844.7000 7604033.0110 13666528.1000 11818801.6100
Putreanine 84521.3463 712971.4190 581846.0751 749856.6453 486561.9453 75496.3409 543284.9086 371708.9618 70023.2241 559858.1043 427772.5202 71173.6142 492173.6781 427598.8500 77241.2305 137703.8487 207207.9344 174522.4218 222107.9242 84613.5459 114326.4023 214057.7425 129449.4313 193559.0735 218388.8616 143488.2286 205767.4522 223320.9366
Pyridoxal Pyridoxal 272624.4741 205461.0965 184149.9091 213387.1008 196926.9536 350988.7116 220681.7659 351671.0006 340830.7463 190584.0417 208347.4754 338311.1981 208111.8527 329273.7973 245703.7122 508011.9701 612895.4330 566953.9356 572927.7080 421122.0808 723991.7059 976859.0569 604578.7276 406306.0483 225627.2869 1070224.5990 880883.4277 298000.7356
Pyridoxine Pyridoxine 14338928.2300 13995961.9100 14820125.4700 15094347.1600 15007089.7400 12007026.8900 10458701.0900 9899356.4420 14946643.3500 13424232.8100 12287443.7100 13760893.5000 10905756.3800 13374425.0900 14880419.8000 15505888.4800 6880902.7630 15606335.3900 7067669.4910 13001210.8300 9835528.6400 3493888.2510 11603338.2900 6013967.3840 11132677.6900 9870619.7740 3648104.4650 10104624.2800
Ribitol Ribitol 194240.9927 121457.2177 280486.3064 117196.2673 234381.0600 117777.1345 85377.6317 79908.5155 160364.2568 116482.0127 92329.6294 131805.4747 95051.5856 76054.6117 192859.8227 328921.9253 712122.7850 332166.6187 665917.7234 150903.9049 352370.4358 786925.4292 358088.2071 557462.6283 166672.8145 465691.1341 1137637.0170 159789.1969
(R)-piperidine-3-carboxylate 51742.3894 112319.2446 131225.2814 128489.9996 108390.9713 45539.8825 92268.0024 113508.3913 45120.6951 116336.6626 124601.4812 46408.8928 107892.6250 100172.0366 41894.3705 55955.1940 101851.1813 61827.9282 94199.6609 47893.2220 55617.2251 90365.5851 51726.7967 97903.1295 80897.4672 59351.6540 88169.7539 64710.0604
(S)-1-Pyrroline-5-carboxylate 1-Pyrroline-5-carboxylic acid 55072.0523 61327.4152 50215.1205 75297.9894 45992.1986 46453.4596 70873.8577 67628.9240 53193.9075 60321.5052 57447.2442 59104.4137 61696.7168 69390.8321 51700.9134 88330.9566 62494.5112 54833.2814 74616.8969 55514.6595 69236.7428 83758.8362 66327.7771 84651.1902 102863.3396 69387.9265 75144.3918 83205.5686
S-(2-Hydroxyethyl)glutathione S-(2-Hydroxyethyl)glutathione 343838.6742 345956.1095 270634.1026 357158.3613 249410.6287 339928.9372 261621.2211 383550.7743 208628.2783 370013.8070 369797.8594 269542.5089 273163.1609 232167.9727 130795.3571 407822.0720 325677.1261 396547.5400 398331.1308 333246.3628 337606.7336 403780.5227 394101.8236 254922.5566 453043.1497 338249.2774 283649.6887 216268.2810
S-Adenosyl-L-homocysteine S-Adenosylhomocysteine 786676.8570 586745.1765 734800.5532 556743.6945 641997.0069 1146751.3980 741660.7572 1087568.7160 940830.9566 810153.1889 989404.5399 1082148.3100 876821.3095 1162922.3240 672581.9305 508064.2256 603003.7321 492748.3495 547679.0662 871560.9633 495844.8984 499905.1760 422501.0830 454740.9283 837886.1243 488279.2249 459950.2885 928127.1642
S-Adenosyl-L-methionine S-Adenosylmethionine 1728908.4060 1582129.1860 1528574.0080 1477046.2430 1587614.2710 1531873.0100 1231764.5870 1535386.5050 1290835.5010 1430942.9040 1482328.0710 1311133.1160 1051914.3310 1529063.4370 1618643.2700 861683.3127 938470.2573 814432.2898 961924.4068 1433694.7800 637327.3386 803704.6095 799426.7625 731223.3189 1262078.9400 799330.6493 875239.2392 1161620.9530
S-Cysteinosuccinic acid S-Cysteinosuccinic acid 180971.6657 212532.0759 230525.3063 215414.8488 194164.4340 213451.6168 233967.5711 258091.3557 216230.5375 263968.5417 227423.3368 212240.1580 224761.1737 210676.3492 177445.4229 204167.1692 346834.5208 206219.0159 332755.7072 201397.3459 222655.3245 277852.8844 229234.7148 260951.9636 244530.7963 267056.2213 274721.7007 253989.1762
Slaframine Slaframine 2171518.2000 1841706.3030 2084576.8670 1917770.3050 1936517.0760 2156536.0360 1972461.3460 2067876.0650 2190433.8640 1872270.9960 2071222.9440 2111736.4940 1634043.1580 1964926.7720 2171821.9100 3510107.5930 3367703.5190 2602322.2200 3420027.7940 2565263.7090 2638570.3830 2976337.3370 2590353.7990 3292500.5570 2456502.5930 3616632.3740 3391910.3270 2163537.8690
SM(d16:1/22:1) SM 16:1;O2/22:1 430559.8354 811581.1278 307120.5914 632900.3766 535338.1925 351732.9444 699648.9175 482842.7826 427328.1789 703093.2964 364469.7386 482987.1136 669802.4883 465013.8451 329689.8323 963831.9392 438221.6644 615765.2437 639995.5213 332414.2389 558205.6744 585622.2300 645704.3309 777336.3495 600206.7954 804641.0427 1010087.0470 653093.7260
SM(d18:0/24:1(15Z)) SM 18:0;O2/24:1(15Z) 4199925.8480 7767107.1460 2017405.4780 4579979.2830 2985846.0350 4231084.0890 5942627.8570 3732673.4130 4411025.3150 4688672.5060 6315878.0710 5658532.8770 4813394.3070 4598280.1010 4264019.0790 4139056.1440 5003190.7650 4566737.6190 3999356.9710 3746453.0580 3490208.8090 4899006.0270 4883716.5950 6961479.8050 6059760.0500 3762236.4460 4165356.2720 7282032.8160
SM(d18:1/22:0) SM 18:1;O2/22:0 1756070.0670 3687598.9440 1296324.3930 2812372.5070 2245584.4490 2006163.3160 3165957.1100 2365275.1400 1657093.3360 3232113.2740 3626819.1110 2303359.6880 2936873.4830 2951501.5640 1582179.1550 2104954.7580 2642773.2290 2524088.8720 2348455.2230 1651089.1410 1470483.4950 2905130.8840 2082969.7140 2502340.0510 3520583.2980 1872141.4420 2494755.8470 3388742.0580
SM(d18:1/22:1(13Z)) SM 18:1;O2/22:1(13Z) 1307682.5460 2258460.7550 1083772.4810 2160575.1890 1639992.4970 1060002.7060 2488203.8650 1780921.6480 1267453.3010 2115223.4370 2390761.0770 1572053.2210 2447004.9490 2102648.7670 1184849.8030 1556690.4490 2180181.6310 1394172.6420 2221978.7240 1306857.3820 1235973.9200 2164433.9210 1733087.0640 2720103.4650 2104760.5210 1608595.7120 1873230.5330 2293231.6240
SM(d18:1/24:1(15Z)) SM 18:1;O2/24:1(15Z) 10607880.5800 11763477.1900 5248951.6700 9201901.4780 8105094.8810 10421193.1500 10458701.0900 6755641.8960 10717836.9400 10300354.7300 10812950.4700 13053190.4000 9943483.7590 10620866.9800 10757706.0900 15915735.7500 12848425.5700 14608670.1100 12167542.1000 10326676.0300 11409213.2200 13747600.5100 13810108.1500 16722801.5200 12557660.4400 13380173.4700 13386189.0600 11097042.7300
SM(d18:2/21:0) SM 18:2;O2/21:0 109034.7122 193185.0870 196159.6542 192402.0863 213063.2357 103453.5278 230528.1020 165322.9000 111895.4480 214886.7841 268025.5270 171731.3066 250824.9542 178342.3449 106701.7592 155410.8305 180342.5473 133258.0396 109096.7048 121028.1323 113365.1842 143787.6878 119125.4746 134416.4220 192246.8017 132047.1749 136283.3410 202601.7344
SM(d18:2/24:0) SM 18:2;O2/24:0 10534722.7800 8082007.7020 7631258.6360 7258496.2090 5528740.4020 11176352.0800 8515002.0400 9832468.8980 11155299.6700 9624921.6380 10251238.7500 10222378.0300 7589276.5730 11276476.0500 9662610.2600 13866499.3900 12386805.4900 15321288.1700 12998864.8500 12926918.2000 12655046.8500 12883876.9200 14094852.6500 12258343.1900 12913906.1200 13380173.4700 11634070.0800 9833964.7000
SM(d18:2/24:1) SM 18:2;O2/24:1 3197252.5160 3929536.7480 1606009.8550 3329095.5990 2953217.6450 2776068.2280 3820621.0300 2419828.1190 2729894.4950 3642102.0090 3509066.7820 3284778.3560 3339146.9420 3010274.2950 2610014.0380 3750364.8460 3427286.7460 3203559.4980 3451358.8370 2682040.5840 2642109.3700 3749654.8010 3274574.8950 4607144.6810 3919859.0100 3361125.1670 4185377.0340 3550447.3980
SM(d32:1) SM 32:1;O2 4316622.0450 6561392.3790 4391420.7780 7655472.6970 4725981.0940 3883266.1950 5447520.3550 4879378.4090 3264216.3980 5553338.3180 5654691.7780 3863839.1130 6071391.3480 4534273.6430 5119152.0350 4248718.2950 5022550.3420 4218117.7410 4729739.3810 4429222.0460 3600549.3430 5185845.0330 3864853.0870 4357036.6460 5962495.6270 4138709.1950 5272608.5670 4694194.3310
SM(d33:1) SM 33:1;O2 3647261.4890 4090507.9120 3131728.0850 4628463.2140 3181256.7060 3207834.3080 3585484.1540 3511376.9780 2922474.1570 3145405.1840 3836393.0490 3574901.2390 2112122.0480 2964068.9340 3620450.9080 3952025.7560 4019517.6120 4191377.1050 3612082.6210 4006834.9940 3221058.5850 3592271.7660 3618617.0790 3298316.4600 3680092.3040 4305649.5250 3781117.2790 3330064.8650
SM(d34:1) SM 34:1;O2 48137830.4700 54266551.7000 40478850.1600 53193448.0200 40208869.1400 49160845.9600 43229297.8300 39196100.5000 41923511.8400 39597265.3300 49360416.7400 50325553.3700 48113631.0900 38943178.9300 49536981.9300 62774940.5700 51393702.2800 66059693.6200 46478499.3300 55422304.4600 48259660.5300 50095968.3600 57233644.0700 48957703.9900 50141580.3200 63171966.5500 49690094.4800 43034873.0400
SM(d34:2) SM 34:2;O2 4664620.8830 4664850.2410 3411322.7470 5087321.6810 3845988.4640 3818366.3270 4097456.7470 3104528.1440 3728520.7500 3610597.6980 4337809.2220 4232966.8250 4563416.7290 3317224.8900 4655168.3060 5434007.5370 4907890.8380 5532643.2900 4226849.1980 5038746.6700 4123069.9980 4488222.3250 4743091.6090 4686153.1080 4983556.9730 5241644.5720 4517172.3030 3990385.5970
SM(d35:1) SM 35:1;O2 1435933.7420 1781190.8330 1496098.7170 1999842.1850 1354696.0060 1600204.9810 1618623.7690 1281530.7200 1200182.3780 1429451.3580 1608847.6660 1557427.8490 1822194.3190 1717020.0020 1469570.9340 1954528.1720 2166165.4990 1906420.0480 1773610.8430 1446189.8730 1539576.1170 1689998.6490 1726245.9000 1852893.2180 1726972.7690 2012574.5890 1817138.8970 1537740.7820
SM(d36:1) SM 36:1;O2 5454802.6390 7754339.9090 6304083.2210 7502039.8680 5911405.9940 7702621.0260 7738631.7410 6126161.8860 5443965.5990 6324270.0560 8215033.7970 6409461.6900 6939140.3310 6752773.4500 5718330.1750 8675100.6020 10386451.8100 8978987.4830 7497921.3370 6655392.6320 7475001.7660 8997120.7540 8328776.5630 9080254.2170 7880086.8900 8335190.0320 8480255.8990 7078192.7720
SM(d36:2) SM 36:2;O2 1864870.1600 2757062.8190 2371538.5970 2531334.1270 2278133.0530 2102740.4020 2659339.1550 2082601.0240 1784349.9690 2315291.7860 2653643.2120 2115158.8280 2293510.2370 1995043.8130 2024637.1650 2935897.2200 3832586.8680 3246983.5910 3159468.9490 2158094.2020 2568579.4500 3410763.1320 2736527.5650 3480082.7190 2507036.0440 3199029.1170 3228562.0260 2516144.8230
SM(d37:1) SM 37:1;O2 222891.5064 409496.2202 390155.6668 406907.7050 384143.1090 371569.7185 404567.4519 421780.1826 190518.5629 401779.2937 496199.2317 303721.9390 456549.6440 396122.5257 293925.7739 368816.3521 506479.3580 316428.4712 328497.8468 284799.3473 295956.4868 380987.7118 299380.1871 394327.9398 488235.3808 347416.4327 368469.4404 322769.7522
SM(d38:1) SM 38:1;O2 1275426.9990 2684302.4930 2043252.0810 2438548.4890 2058730.9840 2159942.7460 2876828.0620 2474463.5370 1297986.3770 2454563.1350 3210626.1900 2039110.4300 2666686.9770 2558270.5200 1493804.2780 1710661.3600 2113291.9190 1469236.8880 1607087.0710 1645692.7100 1626403.5080 1973893.9770 1772916.2350 1929310.7460 2335660.4940 1602161.3470 1601568.6890 2292088.3130
SM(d38:2) SM 38:2;O2 618551.4147 1071176.5440 950351.8128 982536.7636 902070.2280 714105.8891 1201443.2870 871563.5042 612639.3973 1008738.1180 1165522.6650 837972.7549 1012484.2080 905636.0825 743583.0322 965230.1161 1126192.1020 819413.4009 848039.2358 685144.9127 952805.8540 1001275.0830 954660.7425 1013727.5260 1061043.5990 1110826.3890 905109.7141 1022075.7540
SM(d39:1) SM 39:1;O2 386224.6558 836703.6647 625130.9335 741810.0769 650105.4261 488424.4264 927073.6450 771800.9839 353649.0423 689013.1547 930336.8671 578680.7110 899399.7335 859842.0346 381284.6281 439501.7292 440319.8719 281782.9634 364547.1425 427637.2661 295590.3797 460947.6432 344426.8557 137627.6515 725011.6826 280781.7751 325068.1171 717985.0931
SM(d40:1) SM 40:1;O2 7608410.8950 12536260.3600 7741856.5880 10170522.6900 7978452.7740 9968097.7980 11853194.5600 11905982.7500 7801418.7240 10638071.2800 14534290.5600 10772813.7700 11306703.3100 12784376.9200 7730088.2080 7377250.9050 8386098.1260 5940731.5010 7633054.3620 8246482.2990 7016010.4300 9069097.7200 7759287.5670 9080254.2170 12023291.9100 6238594.3510 7569154.0250 11909021.4700
SM(d40:2) SM 40:2;O2 2781395.2490 4220849.8150 4357256.5170 4257194.3370 4189502.3310 3160353.3130 5334236.4990 4691546.8160 2820323.5100 4733194.5230 5100486.2890 3707351.4120 5482519.3950 4565148.8970 3261837.6220 2895408.7490 4214342.8280 2504765.8770 3082214.6920 3219343.8530 2971070.5920 3794708.7820 2961373.7440 4040752.8530 4716844.2890 3160260.6130 3194332.6300 5265227.3990
SM(d40:3) SM 40:3;O2 242981.3919 419721.5906 398563.9106 393683.7805 366708.8441 232299.2272 429137.4738 411016.3465 224981.3187 473155.7126 492482.8504 357000.1133 595829.9857 434594.8134 252261.2829 223586.5655 519721.3628 203680.7818 307935.0786 286047.1616 195459.6985 377257.3256 275901.3571 382328.4548 401272.2464 223403.8851 293780.0027 340811.2431
SM(d41:1) SM 41:1;O2 1598416.4780 3400145.7140 1655907.2260 2340257.2480 1652026.6630 1792234.5330 2693534.0960 2800549.5090 1599939.5590 2524042.4050 3151039.1090 2089080.5590 2636129.6090 2875077.5420 1556646.0300 1114212.4170 1445477.6900 907228.7002 1182292.9540 1659813.8820 1109769.1700 1325040.9720 1197557.3200 1555055.8670 2861111.5260 985974.6555 1084904.0170 2292590.3860
SM(d41:2) SM 41:2;O2 1151595.5390 1775443.1510 1690599.5920 1617089.8000 1759912.4410 1467982.0340 1972915.4280 1945757.8050 1191992.0730 1874872.4690 1913407.5810 1441178.0810 2039842.7450 2152689.6040 1332228.6050 1168891.4230 1400653.7070 943001.6811 1129591.3420 1380542.0230 1053068.3310 1205130.4060 1144214.3540 1323166.1320 1794041.4750 1176964.4760 1128705.0650 1861183.7150
SM(d42:1) SM 42:1;O2 16387346.5400 28077788.6200 11446887.9500 18000210.7900 11207826.5200 17519687.0400 16385298.3700 20133150.6000 16696494.2800 17814547.9400 38968750.0600 22253330.6300 19085073.6700 18029249.5000 18294542.0900 13046804.8400 14079412.4500 11829459.7000 12847715.2600 15452867.7300 13114038.1900 12595969.0600 14949086.1400 13090699.8300 20929434.0600 12210322.2400 10722968.2000 18855950.6600
SM(d42:2) SM 42:2;O2 8413146.6630 8164833.7440 5248951.6700 8071843.4020 8295058.0420 8759843.5200 9238519.2930 6755641.8960 9186717.3760 8949488.5400 8144819.8330 10301011.7000 8339696.0560 8850722.4830 8245427.4220 11134184.2400 12155995.4500 14608670.1100 9900298.2310 8989408.6320 10819081.5000 10004798.2800 11176221.5400 11274648.9900 10063940.6300 12210322.2400 8550340.6580 11638361.8900
SM(d42:3) SM 42:3;O2 4802893.8750 5795316.1050 5972289.3680 5797474.3920 5768270.6510 5259592.4200 6940899.9810 6755641.8960 4815964.1510 6183881.7090 6754653.5580 6733078.5890 7343714.2230 6441692.8460 5524594.1950 5033017.0640 6097087.6380 4605267.4520 4984649.7660 5475308.3850 5483238.0400 5739818.6310 5348789.4270 6185444.5800 6754649.7690 5633107.5030 4594822.0110 7473787.9100
SM(d43:1) SM 43:1;O2 417952.6894 869287.6383 382403.8910 687984.5026 425093.8634 596395.8222 700093.7392 776268.0685 454213.3169 761011.6317 1230791.1080 621325.7691 681025.7445 690621.7934 501710.6658 379191.3369 424178.0756 294500.6792 436722.8436 445219.1285 313199.8283 399299.2368 433742.9293 503395.1532 720570.8018 330727.1796 316580.5899 730602.9607
SM(d43:2) SM 43:2;O2 624948.1496 892774.7729 623327.8413 799650.4347 793482.3776 829926.0764 862486.6991 987148.3566 637355.4037 883501.8461 861360.5119 872313.8510 839517.0071 1173856.4080 736897.8748 706431.5866 768960.7672 570460.1055 653591.6632 720741.4850 579842.5670 702842.7472 754859.3546 700045.9350 1008718.6780 579103.3672 588204.5223 911568.7182
SM(d44:2) SM 44:2;O2 1397711.2620 1672906.3080 939735.5846 1539506.4700 1105978.9020 2117135.0520 1571910.1990 1663036.0310 1513879.8860 1631157.5270 1724044.7330 1958989.0030 1480749.9220 2032490.7290 1778659.1550 595907.0477 1681881.7960 1611914.4250 1502620.0310 1620662.0360 1583030.1380 1873207.1990 1755472.9650 1887395.9140 1846244.3820 1587676.5780 1400898.5010 1586464.0170
sn-glycero-3-Phosphocholine sn-Glycero-3-phosphocholine 20337867.5900 11935206.7800 17197981.4200 13641415.3500 16210189.7600 18576909.5300 11766038.7200 13176846.0700 22966793.4400 13508661.9500 15517286.0600 21702894.8900 13792574.2500 16521348.6400 20033811.9400 9699718.7830 9617085.0070 11259365.2600 9900298.2310 21099107.8600 10753511.3100 9357005.5840 9894871.3010 9004585.4320 15229503.0800 11698512.3200 9811866.3290 16690674.0300
sn-glycero-3-Phosphoethanolamine sn-Glycero-3-phosphoethanolamine 478470.0079 313740.5767 357020.8663 311049.6206 349194.4781 491043.0815 335890.6091 386191.9544 436795.3281 318983.3854 401096.1727 526381.5015 310018.8789 392635.3410 430409.0971 365955.1485 433544.6356 393567.2822 449091.0840 560717.7530 364481.8648 407309.0585 370225.1966 484189.2805 360722.3307 389734.6586 464713.7306 365423.7283
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine Cer 18:1;O2/16:0 533547.8157 603452.8024 326892.5327 531943.4097 404729.2585 529703.2539 648385.7576 509759.0826 645792.2370 591029.5528 777176.9531 727361.8084 615712.2421 429258.3604 429560.8809 519951.4615 1699325.8410 496236.5258 1200601.9870 565652.8734 476596.1541 1503509.1190 619807.6197 1703773.8780 646815.9771 464303.9922 1181641.4850 564300.5243
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine Cer 18:1;O2/24:1 1296191.2850 2160970.5080 611853.9951 1828738.8810 1094075.6520 1240362.5980 2042531.5930 1644023.7480 1679135.9900 2101844.7950 2304894.8410 1824614.2720 2099622.1270 1154125.6070 1289989.2290 1088198.3010 3200361.8160 1236917.8800 2373236.3870 1246108.4810 842955.5394 2530564.1920 1174930.4550 4022125.4680 3122107.3580 801599.1553 2026974.4190 2650980.8840
[SP] Sphing-4-enine Sphingosine 139027.4886 121055.9206 102527.3077 129420.2796 116079.8985 220351.9758 130307.4898 155551.2570 181714.2153 124896.5899 162094.3667 186727.7563 133382.4375 165198.4176 148625.2485 667093.5058 1336086.9060 627816.4167 1504396.3220 216146.1284 680238.6026 1470104.7890 788740.1235 1516003.3010 136855.2454 752979.7725 1680664.9470 196959.2011
[ST (3:0)] cholest-5Z_7Z_24-trien-3beta-ol 7-Dehydro-desmosterol 271319.6819 239520.0391 142626.9538 260140.0250 144328.9047 236571.4916 227401.2635 178237.2230 262175.5850 202715.5720 192663.1460 389115.1636 251076.2978 163794.2054 286455.5496 266555.9355 242596.8117 246273.4061 236952.4673 258771.3178 244872.8616 252420.8806 248261.2309 268528.1825 266738.9575 296491.5976 246943.4968 217198.4196
[ST] (5Z_7E)-9_10-seco-5_7_10(19)-cholestatriene 3-Deoxyvitamin D3 352744.0128 226062.7178 273845.3141 229873.7149 235065.4023 362860.2111 277378.6161 335307.5274 304734.6482 224943.9169 292661.8297 380346.6732 333377.2700 232718.6638 321706.0804 554122.7767 460949.3848 500795.4108 371796.4894 412314.5033 455644.9618 379634.0500 485985.5362 427412.9101 242286.1423 567514.8483 452944.2655 238540.6041
Stearoylcarnitine CAR 18:0 4535183.5240 6034677.5360 5916990.3920 5511009.1090 5647023.4970 5175456.0110 5093017.8880 6044029.3340 5964818.9360 4760184.4080 6603234.3360 6418552.9230 4717669.8320 5475582.7270 4596918.5490 11544031.5100 14541032.5300 10332961.7900 16097431.4800 5714781.4020 10491230.5500 14827255 10677918.6700 15209425.8100 4061216.8530 14476909 15698986.1300 4128904.2070
Tetradecanoylcarnitine CAR 14:0 712165.5950 1012370.1060 676467.8067 1012555.8480 667521.9212 697578.7169 933880.9521 787087.7139 559235.8609 929817.7711 793087.8762 762521.5301 985306.9225 722434.1583 778100.5333 1023414.8530 766676.7095 1000077.8440 767703.0391 931074.0059 1117648.4120 620772.7661 1040461.3780 855079.2160 712376.0377 1264440.0110 778929.1131 733911.9432
Thiamin Thiamine 736963.0708 475259.6121 895158.4582 559592.5003 854342.6169 755672.8573 816680.0396 926884.1849 736826.8645 587701.3034 908154.6083 929358.9469 689896.2442 881362.4024 619100.1476 1076627.7150 647269.2029 976546.8399 652004.3091 771673.2177 875939.9682 745358.1469 945090.2129 800576.9764 602498.3458 982487.1279 675661.9358 587421.9008
Thr-Ala Thr-Ala 1241667.0530 376790.4264 667565.9158 286921.9726 539213.8368 1323704.9570 383007.4933 682845.1917 1236430.5400 296472.0973 654272.3678 1301268.5210 368404.6951 727479.9716 1388201.9320 2449812.5480 3836201.3540 2300478.2350 3578014.6370 1353520.4920 2481564.6920 4341509.1560 2446258.6680 3908709.3090 234355.4175 2577170.3840 4894443.8200 295230.9577
Thr-Pro Thr-Pro 675559.9938 452122.2692 704370.1490 768201.6752 984305.8345 963508.0264 696544.8622 1133416.1140 433476.3075 478169.4314 657473.7735 447621.3225 492650.9553 613604.9371 388295.6570 185918.9115 45772.5041 366498.3296 186926.2509 929994.4410 534706.9162 259705.3320 149859.0494 65398.7398 376670.1141 185807.3913 94232.3648 437428.9313
Thr-Thr Thr-Thr 253594.3707 91131.6162 82262.7993 84226.5329 80876.1332 221758.1289 85853.9997 92804.4704 246743.1302 78840.2845 85262.3854 234630.0163 69852.8732 90126.5075 224566.1484 289709.1684 351939.6061 259607.5366 403543.7134 267727.8288 273472.6323 412016.4421 287118.4661 392636.0094 90477.1154 334616.1810 443396.1807 79615.7416
Thr-Thr-Asp Thr-Thr-Asp 337959.7365 326042.0774 308694.9532 358177.2044 271179.3187 367561.3586 334862.0612 306832.7267 332646.8211 337103.8306 325927.6261 423025.6420 362441.2861 304405.7257 334563.7133 434257.4345 602930.6423 368725.1274 568376.7827 362875.9133 368739.9110 626207.5669 430086.3650 584081.5828 370975.6382 433736.6934 616808.3466 375184.2766
Thr-Trp-Cys Thr-Trp-Cys 79853.1758 366277.8114 410797.2537 345275.2708 401255.0697 75067.0625 389341.5714 383618.8742 101544.7722 410273.2078 387753.2814 88025.3456 337556.2395 444386.4578 83469.2761 374756.3625 424379.1689 391241.2969 339487.9100 98897.3088 374219.7758 364498.8011 370829.6557 370846.1186 292432.8158 427089.6535 396410.8761 252327.1854
Tiglylcarnitine CAR 4:1;2Me 101241.7380 109540.4786 94324.8971 109948.3573 114681.5124 133705.2769 118510.1431 147590.4165 90650.1046 84089.7122 90428.9263 107633.6667 88834.5777 98974.5461 107788.1286 99729.3642 135542.4748 81706.2975 166657.4331 112738.3514 76397.8836 142256.9627 87918.8457 143033.7488 96792.8227 95600.6654 136307.3998 91988.8949
trans-Hexadec-2-enoylcarnitine CAR 16:1(2E) 706875.0974 881116.5333 704178.0542 851438.9279 592105.9921 654021.9525 698327.6894 732001.3905 652453.7008 751417.7378 717842.9503 796099.0936 699953.0456 707329.5809 756750.6738 785248.5041 673723.2553 884183.7903 702716.5084 926242.2916 820352.5930 567299.6385 777390.9197 737612.6019 679383.1784 935167.9251 671746.6507 527818.4324
Trp-Cys-Gly Trp-Cys-Gly 122876.2932 138439.1279 390039.1588 148352.4856 296555.4882 64363.7644 238441.8796 256922.6631 77370.8721 193136.5983 201854.3733 146151.6240 177172.8583 427909.4857 57125.0398 211281.8404 370428.5722 225365.4596 262367.6098 146236.9229 325741.3157 357841.1342 215493.7462 233525.6706 139328.8429 439204.8340 374696.2084 165589.3189
Trp-Trp-Tyr-Tyr 2361602.6410 1378580.9970 1516037.8680 1462422.5850 2116011.5260 2936502.6850 1274753.3350 2129060.2750 2059821.1630 1518416.5560 1239436.4660 2057074.0970 1862614.5810 1351758.7980 2328576.8250 2971071.3370 1923734.9420 2083559.4370 1879821.9610 2126046.9610 2004800.5550 2000258.0600 2050145.0800 1867481.0250 1377561.3230 2497543.1800 1842457.1910 1841071.9040
Tussilagine Tussilagine 232678.9452 401127.7566 499900.8733 451742.2799 490993.9441 167104.2924 334988.3283 381579.2640 234920.2669 473291.5907 371819.1000 149093.1501 412809.8177 491602.3579 185917.6398 497743.5455 550214.3985 729698.7522 583840.0472 248864.7434 508684.4024 585515.1642 526089.6186 542097.7505 344648.6645 620067.0333 579577.4388 236800.9396
UDP UDP 285321.1469 431003.6346 364584.7293 439916.9789 380681.4261 288315.9486 475175.8316 456778.7553 274190.9318 465358.1541 476788.3619 329983.4739 446966.8120 502302.0209 263227.0975 677635.6742 225353.8351 604834.7962 208750.0555 296748.4118 656192.8661 210902.3173 685883.4703 160028.0475 438397.9731 708356.4827 229655.4702 449050.1232
Val-Ala Val-Ala 544000.5560 200556.8615 268510.8466 164936.1256 211333.0869 531113.9851 193236.3095 285519.7635 483655.6069 169632.3181 248827.7786 554055.5430 167627.2016 253419.2335 562616.1918 1356845.1620 1748575.1260 1255158.4080 1734604.2350 695212.2610 1300184.8410 1988124.7230 1298312.3810 1568316.1590 240329.1567 1736975.7340 1910028.7110 215798.1651
Val-Asn Val-Asn 33239.0451 102329.5194 102003.8424 92883.4525 115323.9836 28189.5723 127314.6672 96982.6114 23807.6717 101311.1125 110445.1064 25348.6824 85499.9209 92744.6107 22053.3856 125976.6240 152937.7861 119328.4276 117870.6552 37977.0592 126319.0877 147415.7542 147923.7100 139624.8108 63165.5608 127307.6438 132918.5826 64755.0928
Val-Gly Val-Gly 927921.3355 1801510.2010 1550445.3060 1917302.5420 1456890.8050 680267.9729 1548171.8890 1182949.4330 881366.8297 1747000.5300 1224030.6450 754001.5221 1449356.3790 1241777.8360 1030665.4640 419051.5884 474318.6717 649977.2793 393948.1942 915383.3088 403473.3837 331196.0711 451841.6900 376462.5632 958038.0532 410877.7089 383264.3769 1181446.9930
Val-Gly-Ser Val-Gly-Ser 511402.9048 262251.5634 700255.9744 333419.7004 704320.7933 807996.1669 380435.9330 865210.6090 392777.7824 463656.2737 284451.0527 530131.9839 395342.9658 1279755.8760 639060.3224 218489.0260 261037.4280 188436.7458 177548.9066 1019428.0990 312907.6926 329841.3522 241129.9162 172482.3137 149555.5850 617097.8504 338500.5402 404314.8877
Val-Ser Val-Ser 1103528.8540 329047.2648 748748.3374 254773.1320 523539.3431 1129536.6070 363376.8927 598231.2782 1159222.6510 314852.1094 644016.9162 1148781.9960 341206.2849 651794.0836 1410416.7560 2792405.7620 3967894.2540 2440683.6990 3524199.7150 1346957.6670 2815146.3180 4163811.7030 2935361.4440 3938836.8360 274195.5693 3194664.4760 4369984.1460 305824.7710
Vicine Vicine 111510.8979 113351.7017 97429.6926 114242.3005 98701.6035 126037.9241 143909.8477 116161.7261 124844.7550 131300.0386 127205.2893 157453.2001 131069.1241 92592.4684 130811.0790 63395.2295 91099.5929 76852.4388 112766.3807 127443.7771 82787.2634 117340.5501 88073.1417 119063.3318 74302.2880 90229.8830 134684.7624 92582.9222
xi-4_5-Dihydro-2_4(5)-dimethyl-1H-imidazole 760945.1111 628413.4305 525738.5248 488365.2929 733844.3929 823506.8480 539684.5007 512956.7671 833821.9218 454056.7864 494347.5578 681229.1010 656162.6748 533629.2761 799882.5530 790278.5255 581050.6679 797873.3622 583324.7688 683678.1439 628262.0139 645606.5739 706582.8826 574393.9920 549257.3167 854903.4267 677228.5054 641687.7367