#METABOLOMICS WORKBENCH lizhu_20250212_000701 DATATRACK_ID:5619 STUDY_ID:ST003768 ANALYSIS_ID:AN006186 PROJECT_ID:PR002322
VERSION 1
CREATED_ON February 27, 2025, 8:48 am
#PROJECT
PR:PROJECT_TITLE The Chromosome-Scale Assembly and Multi-Omics Analysis Reveal Adaptive Evolution
PR:PROJECT_TITLE and Nitrogen Utilization Mechanisms in Edible Grass (Rumex patientia L.× Rumex
PR:PROJECT_TITLE tianschanicus A. LOS)
PR:PROJECT_SUMMARY Edible grass (Rumex patientia L.× Rumex tianschanicus A. LOS), a perennial
PR:PROJECT_SUMMARY herbaceous plant from the Polygonaceae family, boasts a high protein content and
PR:PROJECT_SUMMARY rapid growth rate, making it a promising solution to feed shortages as a forage
PR:PROJECT_SUMMARY protein source. In this study, we utilized the PacBio sequencing platform and
PR:PROJECT_SUMMARY integrated methods including Hi-C to achieve a chromosomal-scale assembly of the
PR:PROJECT_SUMMARY R. patientia genome. The assembled genome spans 2.19 Gb with an N50 of 18.84 Mb,
PR:PROJECT_SUMMARY and 93.61% (2.05 Gb) of the assembly has been allocated to 30 pseudochromosomes.
PR:PROJECT_SUMMARY Comparative genomic analysis has revealed significant expansion of gene families
PR:PROJECT_SUMMARY involved in nitrogen metabolism and D-glutamine and D-glutamate metabolism
PR:PROJECT_SUMMARY pathways, which are responsible for the plant's strong nitrogen utilization
PR:PROJECT_SUMMARY capabilities and high protein content. Additionally, expansions in gene families
PR:PROJECT_SUMMARY associated with the Wnt signaling pathway, ubiquitin-mediated proteolysis, Toll
PR:PROJECT_SUMMARY and Imd signaling pathways, TGF-β signaling pathway, protein processing in the
PR:PROJECT_SUMMARY endoplasmic reticulum, photosynthesis-antenna proteins, circadian rhythm, and
PR:PROJECT_SUMMARY cell cycle pathways are closely related to the rapid growth and development of
PR:PROJECT_SUMMARY R. patientia. We have also identified the rhizosphere microbiome of R. patientia
PR:PROJECT_SUMMARY and, by integrating metabolomic data from root tissues and soil, found that
PR:PROJECT_SUMMARY during rapid growth phases, the plant secretes various apigenin-like compounds
PR:PROJECT_SUMMARY into the soil, enhancing the symbiotic nitrogen-fixing capabilities and
PR:PROJECT_SUMMARY potentially providing nitrogen sources to the leaves through symbiotic nitrogen
PR:PROJECT_SUMMARY fixation. Our research provides crucial insights into the genetic basis of R.
PR:PROJECT_SUMMARY patientia 's utility as a forage protein source.
PR:INSTITUTE Hunan Agricultural University
PR:LABORATORY Chinese medicine resources and Chinese veterinary medicine innovation team
PR:LAST_NAME Li
PR:FIRST_NAME Zhu
PR:ADDRESS 1 Nongda Road, Changsha City, Hunan Province
PR:EMAIL lizhu@stu.hunau.edu.cn
PR:PHONE 15211045071
#STUDY
ST:STUDY_TITLE The Chromosome-Scale Assembly and Multi-Omics Analysis Reveal Adaptive Evolution
ST:STUDY_TITLE and Nitrogen Utilization Mechanisms in Edible Grass (Rumex patientia L.× Rumex
ST:STUDY_TITLE tianschanicus A. LOS)
ST:STUDY_SUMMARY Edible grass (Rumex patientia L.× Rumex tianschanicus A. LOS), a perennial
ST:STUDY_SUMMARY herbaceous plant from the Polygonaceae family, boasts a high protein content and
ST:STUDY_SUMMARY rapid growth rate, making it a promising solution to feed shortages as a forage
ST:STUDY_SUMMARY protein source. In this study, we utilized the PacBio sequencing platform and
ST:STUDY_SUMMARY integrated methods including Hi-C to achieve a chromosomal-scale assembly of the
ST:STUDY_SUMMARY R. patientia genome. The assembled genome spans 2.19 Gb with an N50 of 18.84 Mb,
ST:STUDY_SUMMARY and 93.61% (2.05 Gb) of the assembly has been allocated to 30 pseudochromosomes.
ST:STUDY_SUMMARY Comparative genomic analysis has revealed significant expansion of gene families
ST:STUDY_SUMMARY involved in nitrogen metabolism and D-glutamine and D-glutamate metabolism
ST:STUDY_SUMMARY pathways, which are responsible for the plant's strong nitrogen utilization
ST:STUDY_SUMMARY capabilities and high protein content. Additionally, expansions in gene families
ST:STUDY_SUMMARY associated with the Wnt signaling pathway, ubiquitin-mediated proteolysis, Toll
ST:STUDY_SUMMARY and Imd signaling pathways, TGF-β signaling pathway, protein processing in the
ST:STUDY_SUMMARY endoplasmic reticulum, photosynthesis-antenna proteins, circadian rhythm, and
ST:STUDY_SUMMARY cell cycle pathways are closely related to the rapid growth and development of
ST:STUDY_SUMMARY R. patientia. We have also identified the rhizosphere microbiome of R. patientia
ST:STUDY_SUMMARY and, by integrating metabolomic data from root tissues and soil, found that
ST:STUDY_SUMMARY during rapid growth phases, the plant secretes various apigenin-like compounds
ST:STUDY_SUMMARY into the soil, enhancing the symbiotic nitrogen-fixing capabilities and
ST:STUDY_SUMMARY potentially providing nitrogen sources to the leaves through symbiotic nitrogen
ST:STUDY_SUMMARY fixation. Our research provides crucial insights into the genetic basis of R.
ST:STUDY_SUMMARY patientia 's utility as a forage protein source.
ST:INSTITUTE Hunan Agricultural University
ST:LAST_NAME Li
ST:FIRST_NAME Zhu
ST:ADDRESS 1 Nongda Road, Changsha City, Hunan Province
ST:EMAIL lizhu@stu.hunau.edu.cn
ST:PHONE 15211045071
#SUBJECT
SU:SUBJECT_TYPE Plant
SU:SUBJECT_SPECIES Rumex patientia L.× Rumex tianschanicus A. LOS
#SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS - G-3d-1 data:3 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117766a_a_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117766a_a_N.wiff
SUBJECT_SAMPLE_FACTORS - G-3d-2 data:3 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117766a_b_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117766a_b_N.wiff
SUBJECT_SAMPLE_FACTORS - G-3d-3 data:3 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117766a_c_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117766a_c_N.wiff
SUBJECT_SAMPLE_FACTORS - G-3d-4 data:3 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117766a_d_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117766a_d_N.wiff
SUBJECT_SAMPLE_FACTORS - G-3d-5 data:3 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117766a_e_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117766a_e_N.wiff
SUBJECT_SAMPLE_FACTORS - G-3d-6 data:3 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117766a_f_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117766a_f_N.wiff
SUBJECT_SAMPLE_FACTORS - G-9d-1 data:9 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117772a_a_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117772a_a_N.wiff
SUBJECT_SAMPLE_FACTORS - G-9d-2 data:9 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117772a_b_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117772a_b_N.wiff
SUBJECT_SAMPLE_FACTORS - G-9d-3 data:9 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117772a_c_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117772a_c_N.wiff
SUBJECT_SAMPLE_FACTORS - G-9d-4 data:9 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117772a_d_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117772a_d_N.wiff
SUBJECT_SAMPLE_FACTORS - G-9d-5 data:9 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117772a_e_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117772a_e_N.wiff
SUBJECT_SAMPLE_FACTORS - G-9d-6 data:9 day | Sample source:root RAW_FILE_NAME(rawdara filename)=T22117772a_f_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117772a_f_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-3d-1 data:3 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117778b_a_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117778b_a_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-3d-2 data:3 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117778b_b_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117778b_b_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-3d-3 data:3 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117778b_c_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117778b_c_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-3d-4 data:3 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117778b_d_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117778b_d_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-3d-5 data:3 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117778b_e_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117778b_e_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-3d-6 data:3 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117778b_f_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117778b_f_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-9d-1 data:9 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117784b_a_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117784b_a_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-9d-2 data:9 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117784b_b_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117784b_b_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-9d-3 data:9 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117784b_c_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117784b_c_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-9d-4 data:9 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117784b_d_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117784b_d_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-9d-5 data:9 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117784b_e_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117784b_e_N.wiff
SUBJECT_SAMPLE_FACTORS - Y-9d-6 data:9 day | Sample source:leaf RAW_FILE_NAME(rawdara filename)=T22117784b_f_P.wiff; RAW_FILE_NAME(rawdatafilename)=T22117784b_f_N.wiff
#COLLECTION
CO:COLLECTION_SUMMARY All plant materials used in this study were collected and utilized in accordance
CO:COLLECTION_SUMMARY with local, national, and international guidelines and regulations. Necessary
CO:COLLECTION_SUMMARY permissions for sample collection were obtained from relevant authorities, and
CO:COLLECTION_SUMMARY no protected or endangered species were involved in this research. R. patientia
CO:COLLECTION_SUMMARY was cultivated at Hunan Agricultural University, located in Changsha City, Hunan
CO:COLLECTION_SUMMARY Province, for comprehensive molecular profiling. We collected fresh, healthy
CO:COLLECTION_SUMMARY roots and leaves from plants at two distinct growth stages, specifically on the
CO:COLLECTION_SUMMARY 3rd and 9th days after planting, with six biological replicates at each time
CO:COLLECTION_SUMMARY point to ensure statistical robustness.
CO:SAMPLE_TYPE Plant
#TREATMENT
TR:TREATMENT_SUMMARY Immediately post-collection, samples were submerged in liquid nitrogen to halt
TR:TREATMENT_SUMMARY metabolic activities and maintain biochemical integrity.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Each sample was subsequently finely ground in liquid nitrogen, and the resulting
SP:SAMPLEPREP_SUMMARY homogenized tissue was divided into aliquots: one for RNA extraction, another
SP:SAMPLEPREP_SUMMARY for protein isolation, and additional portions for Untargeted metabolomics
SP:SAMPLEPREP_SUMMARY analysis. This meticulous division guarantees consistent and comparative
SP:SAMPLEPREP_SUMMARY datasets across transcriptomic, proteomic, and metabolomic analyses.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE HILIC
CH:INSTRUMENT_NAME LC20 Ultra High Performance Liquid Chromatograph (Shimadzu)
CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
CH:SOLVENT_A 100% Ultrapure water; 0.1% Formic acid
CH:SOLVENT_B 100% Acetonitrile (0.1% formic acid)
CH:FLOW_GRADIENT At the beginning of the analysis (0 minutes), the analysis was performed at A
CH:FLOW_GRADIENT flow rate of 0.4 mL/min with a ratio of 95% solvent A and 5% solvent B. Over the
CH:FLOW_GRADIENT next 11 minutes, the proportion of solvent A gradually decreases to 10%, while
CH:FLOW_GRADIENT the proportion of solvent B correspondingly increases to 90% and maintains this
CH:FLOW_GRADIENT proportion until 12 minutes. At 12.1 minutes, the solvent ratio is quickly
CH:FLOW_GRADIENT adjusted back to the initial condition, i.e. 95% for solvent A and 5% for
CH:FLOW_GRADIENT solvent B, and maintained until 14 minutes in preparation for the next analysis
CH:FLOW_GRADIENT run.
CH:FLOW_RATE 0.40 mL/min
CH:COLUMN_TEMPERATURE 40℃
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME ABI Sciex 6600 TripleTOF
MS:INSTRUMENT_TYPE Triple TOF
MS:MS_TYPE ESI
MS:ION_MODE NEGATIVE
MS:MS_COMMENTS In the positive and negative ion mode of mass spectrometry analysis, the mass
MS:MS_COMMENTS spectrum conditions are fine-tuned to ensure accuracy. Specifically, the
MS:MS_COMMENTS ionization voltage is set to 5500 volts in ESI+ mode and -4500 volts in
MS:MS_COMMENTS ESI-mode. The atomizer gas pressure is uniformly adjusted to 50psi to achieve a
MS:MS_COMMENTS stable ionization process. The cluster voltage is 60 volts in ESI+ mode and -60
MS:MS_COMMENTS volts in ESI-mode to optimize ion transport and detection. The curtain gas
MS:MS_COMMENTS pressure is set to 35psi to effectively control the ion path into the mass
MS:MS_COMMENTS spectrometer. The system temperature is maintained at 550 degrees Celsius,
MS:MS_COMMENTS providing a suitable thermal environment for mass spectrometry analysis. The
MS:MS_COMMENTS auxiliary heating gas pressure is set to 60 psi to further ensure ionization
MS:MS_COMMENTS efficiency. Finally, the impact energy of ESI+ mode is set to 30 volts, and the
MS:MS_COMMENTS impact energy of ESI- mode is set to -30 volts to meet the requirements of ion
MS:MS_COMMENTS fragmentation under different mass spectrum conditions. These carefully designed
MS:MS_COMMENTS parameters together ensure the high sensitivity and resolution of mass
MS:MS_COMMENTS spectrometry analysis.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS ug/g
MS_METABOLITE_DATA_START
Samples G-3d-1 G-3d-2 G-3d-3 G-3d-4 G-3d-5 G-3d-6 G-9d-1 G-9d-2 G-9d-3 G-9d-4 G-9d-5 G-9d-6 Y-3d-1 Y-3d-2 Y-3d-3 Y-3d-4 Y-3d-5 Y-3d-6 Y-9d-1 Y-9d-2 Y-9d-3 Y-9d-4 Y-9d-5 Y-9d-6
Factors data:3 day | Sample source:root data:3 day | Sample source:root data:3 day | Sample source:root data:3 day | Sample source:root data:3 day | Sample source:root data:3 day | Sample source:root data:9 day | Sample source:root data:9 day | Sample source:root data:9 day | Sample source:root data:9 day | Sample source:root data:9 day | Sample source:root data:9 day | Sample source:root data:3 day | Sample source:leaf data:3 day | Sample source:leaf data:3 day | Sample source:leaf data:3 day | Sample source:leaf data:3 day | Sample source:leaf data:3 day | Sample source:leaf data:9 day | Sample source:leaf data:9 day | Sample source:leaf data:9 day | Sample source:leaf data:9 day | Sample source:leaf data:9 day | Sample source:leaf data:9 day | Sample source:leaf
Arginyl-glycyl-aspartic acid 4513.533165 3166.154957 5476.191843 1631.901871 3592.514808 1919.369963 974.133883 2114.947221 1552.081506 1487.374946 1579.177018 1692.941564 87085.8698 28355.08092 86828.69085 31351.64479 31510.98345 33006.01634 54214.23503 129750.2466 141228.8681 127380.8313 52335.33731 50445.58983
Nudicauline 3087338.967 3089327.118 2974651.599 3038357.291 2865880.758 2981185.982 3289731.625 3336429.272 3255198.804 3306273.06 3473535.115 3298909.104 2457703.381 3348.399018 2510752.128 2433.203468 2345.517276 18292.97617 347670.5324 281890.6618 346502.237 327789.2119 310879.5193 311847.1942
Isofenphos-methyl 42354.75607 40530.00652 36087.12574 39175.67913 36832.58389 37055.20733 58595.33679 58713.75349 59362.7288 58694.62157 58262.17105 52601.2083 484.6112912 1288.011989 6217.891392 4476.670109 1254.225238 6394.15825 550.8760515 816.2574952 2569.138294 1199.827359 2636.718377 3816.528777
Kazinol A 1007.778546 1284.753061 366.7953089 1507.187171 1280.019719 709.1469786 1349.618594 822.6829989 870.4231039 991.7942496 1798.287825 580.0424288 5762.922901 4693.12267 5769.803204 4252.391227 6099.146598 5199.229233 19410.42728 19817.11439 20673.46169 20576.82358 19649.76828 21514.15165
(15S,16S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid 31511.46806 50037.28062 29730.26235 39332.24818 26068.62215 32139.95759 4113.027893 2120.049947 973.9457314 1683.254341 1517.682713 3147.912272 6895.695276 6022.519193 4542.197211 6182.796537 5827.36561 6165.671984 2015.783749 1522.375349 2261.89444 1956.055457 23.66984915 1654.897847
Stypandrol 782376.2954 99515.99205 705327.3137 700596.2446 543244.8284 658935.3911 522082.7356 636423.9625 602570.2912 644279.3156 107941.5289 603285.3471 239.12973 39.45364164 19433.92055 24970.61103 43.19407677 23185.27533 11546.58657 10228.99884 10369.50625 12275.29558 39.96650577 10105.56416
Venlafaxine hydrochloride 6309.845239 5813.95015 5733.411342 3133.504805 6599.946394 5429.838424 5934.452913 5615.660839 5751.637003 5521.338586 6246.919433 1381.313557 4968.680788 6225.005228 6005.813989 5847.111692 6342.763106 5530.855605 5269.751836 6383.874964 5814.793537 6146.865611 7032.600899 6126.243821
4-Hydroxybenzoic acid 103708.4725 29394.89993 102237.4671 81809.60678 78117.24741 99861.95804 32958.2577 27922.91273 23258.2129 23871.15538 32376.5256 32531.80693 16135.30469 8050.150795 6231.2609 15564.58518 8122.062865 10281.33856 2713.141185 1687.736355 2841.233876 2971.075319 1477.831656 2705.576616
Trehalose 289739.7455 287138.6078 297379.5267 298097.6424 313608.7519 309063.7488 294805.5616 292241.4543 295726.3671 264572.7336 300942.5924 255583.876 70751.85844 64092.87077 62002.37366 63323.54623 63503.60444 66218.18837 69315.28746 70520.33907 77640.0941 81691.85518 82914.46395 84761.52124
Allantoic acid 7711.747665 7915.096999 7656.14471 6377.111863 7378.719818 7920.111349 5636.190999 5208.079413 5244.452146 4208.725536 4652.427002 4580.906831 19366.81617 19623.0546 19037.1378 19402.6663 20653.60392 18867.93097 2717.862594 3881.860372 3753.675545 2425.125792 4079.638579 4004.381767
3,5-Dihydroxybenzoic acid 7053.39065 10903.44312 6965.652469 6628.138968 6279.12711 7424.052867 3481.071307 4506.682599 2817.22834 4957.869261 3208.09887 3276.312002 56968.47524 52330.92787 54538.42252 58053.86101 53890.22388 56556.54375 12593.05501 12522.09466 12310.02157 13662.37301 13579.34768 12961.58691
Pseudolaric acid B-O-beta-D-glucopyranoside 1125.551735 552.7760082 634.9818367 647.2664498 551.5133326 208.6678318 1446.501176 685.5333669 1111.209194 797.8210378 1731.533187 1063.655712 29117.05901 37943.33824 32328.19874 35572.5839 31708.6274 34155.17795 71711.43029 55196.13429 71905.69544 32121.74409 69560.00383 69039.20331
Fosthiazate 35920.3822 32847.93322 33145.8651 36068.73398 37397.29234 34232.66086 22596.83243 21959.36966 22519.01148 22480.88148 19659.42569 20017.42438 43.95702642 535.5659588 663.8749122 50.43490571 699.5749725 1059.419269 466.8695592 614.2412958 147.0250249 750.1598244 1153.525414 520.196865
Cefpirome sulfate 65897.38454 61386.70409 60804.4569 54272.99115 61178.54778 57392.86121 56990.08139 50652.03342 75242.92932 57997.5355 50870.73773 54623.62125 311.5321172 496.7797568 183.2094841 364.9467328 270.9931674 84.23764625 54.52113988 86.93884407 1141.533592 207.8937612 32.90896861 1649.074947
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphate 2860.880326 3234.142776 1412.969882 6872.504827 1858.883735 2818.464999 15235.90591 18000.56894 11638.7015 23235.44476 19105.38375 12878.36579 40858.35446 47319.20593 45076.67437 48007.00116 48415.87886 66724.16831 24355.4702 25027.77914 27217.50057 25549.35417 26513.13032 27218.20778
Adenosine triphosphate disodium 60.31332719 54.07635054 4.825327603 48.0005425 55.97472204 69.56280807 10.86978934 71.22290869 28.20274548 55.05396217 22.91466379 66.4539715 2247.815326 1957.594719 1638.864234 1612.21146 1328.294885 1356.094604 89.74907172 62.75799472 160.2919437 98.01135349 122.6153848 113.2143343
Betamethasone acetate 702.2876811 3640.489904 574.6869832 41.79596216 1141.686614 696.0481434 1249.137295 1060.485002 1588.838806 1418.858528 1669.416831 2189.42775 61177.89907 61816.43425 60619.30807 65364.12956 64245.09025 66834.90483 75151.70855 75342.02819 75751.54087 77215.70306 74917.47708 77843.77696
Mallotochromene 372.2127229 156.407089 458.8077681 573.4014223 300.9456315 103.7454595 736.7580768 529.2672673 894.5134619 1023.360745 509.4012862 758.2463967 3421.928101 5375.606118 3486.140859 3930.063694 1423.945423 4280.493622 4717.223581 4120.438346 2499.801757 512.6260094 5279.710273 4814.796238
Urdamycin A 1100990.003 1101699.007 1060804.048 1083522.425 1022014.784 1063134.304 1173166.171 1189820.478 1160851.217 1179065.088 1238713.186 1176438.994 876452.7908 898615.169 895370.7459 933399.9639 869933.4433 894241.8697 669920.525 650010.5989 1514.328126 3611.480481 629.6678051 6806.696933
Cyclohexanecarboxylic acid 9250.827195 9185.193719 10341.08196 10230.78944 9140.276572 8240.86564 4005.456932 3105.071242 2665.625345 2156.811224 2736.816365 3429.476704 14435.00992 15126.18206 13875.26198 15488.79263 14733.84208 15368.53914 5835.696272 5563.151141 6144.727131 5580.489417 5535.33195 7176.344948
Pyroglutamic acid 12437.21421 12072.44602 12237.42873 11996.82678 14916.54819 11131.27802 12479.58261 13002.47959 12158.48436 10985.00171 12386.48262 12439.97263 33868.60054 26485.53955 32876.92471 32688.4341 33431.23861 33545.91362 34997.99788 30878.4316 36993.29579 31893.04416 28977.54673 33351.06339
2-Thiophenecarboxaldehyde 15656.98317 10333.77878 13875.17881 14135.76582 10671.68578 22535.34744 13327.21181 20737.32591 19360.38738 18120.99761 15947.8068 12925.20583 17991.49986 20088.5753 21902.20922 20238.299 18435.30719 15547.44941 16486.65045 8602.863766 21062.68031 21174.62827 19272.70677 21385.56338
Haploperoside E 3178.684032 2981.20586 3884.465327 5868.4839 2107.397794 3178.834756 17602.4801 15397.12875 21140.51087 17326.60014 9797.978725 29900.64269 41616.34395 51976.39503 60963.67787 45723.77774 43603.28879 48611.84959 64240.03802 62134.85777 58443.09135 63303.39518 68043.34363 59908.22271
S-adenosyl-L-homocysteine 253973.6259 242544.0753 242949.2624 257330.6599 213600.6556 228220.5033 7645.522665 7906.064354 7070.491934 6370.018152 4890.462245 6346.725881 307.8428076 75.12665167 96.12153872 252.3187318 149.2413708 211.4673847 138.9976666 453.7969866 305.4404489 4543.761641 71.83849956 3056.303601
2-(2-Methyl-1H-imidazol-1-YL)-1-propanol 651.2623583 848.908492 310.3534046 783.6191751 623.8201816 456.5677342 4641.922611 4377.514265 5031.709443 4454.749009 7119.593161 5988.717181 2726.463417 2649.949715 2342.27931 2814.981682 2127.874957 2914.278675 348.0325912 242.8374509 203.4883365 180.5569593 186.7341307 241.4448745
Epiandrosterone sulfate 779.4340791 2183.510283 2650.29704 1938.04935 2087.85726 2584.010756 2346.078979 2182.256384 1252.598854 2326.141579 2963.572529 1124.193603 47606.31994 45086.27573 45482.03683 46167.55029 42820.39885 68492.55667 32106.75954 30561.76201 31743.46628 33153.56318 31982.10396 32331.67188
Ceftibuten 13895.85689 11099.81112 6545.475015 12570.79322 12957.21327 11819.1291 2773.276915 3917.05669 3039.169829 2861.533946 3085.410191 1955.488009 21597.91513 22929.58457 20368.92337 24678.83954 22012.05865 21588.61263 4799.655682 5492.580537 5733.990426 5637.246167 5368.112733 5488.565133
[4-[[(2S)-2-acetamidopropanoyl]-[(1S)-1-carboxyethyl]amino]-3-amino-4-oxobutyl]-(hydroxymethyl)-oxophosphanium 6424.733824 6299.64743 7063.567339 6925.421791 5740.96293 6216.617132 3169.229994 3146.551173 2962.9657 3078.448274 3360.841762 3217.697137 1670.977022 1337.892914 1173.257602 1880.393537 2106.515838 2157.35517 3.317342472 8.127458863 26.87040318 11.27893104 657.5442999 14.59628716
Dinobuton 4064.116893 8998.23271 4062.267681 7381.914888 4375.049743 4051.376825 10990.27109 6244.660581 12742.56348 5868.589905 11597.88643 6411.379371 905.6876141 1093.805157 83.82784025 17.71696155 1007.502311 920.1226183 891.1661307 435.9455895 42.61259274 287.3525212 89.14090209 419.394786
Cinnamtannin D1 10325109.54 10735782.4 10062882.11 10105856.94 9920425.853 10095226.91 8503810.693 8329887.23 8409387.66 8167423.344 8123359.009 8043690.534 2774986.306 2699724.193 2538541.72 2694934.531 2526331.356 2669410.692 805591.655 790702.09 839737.4 877879.9436 835013.1308 882489.2831
(2R)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one 17037.49418 19231.62404 19026.52402 21370.66856 17890.40388 19647.40428 37086.7593 36156.30724 34658.89007 36095.65491 38311.73982 37123.93413 11807.27786 11112.61147 12494.48643 12162.72931 11479.85196 10708.88278 8165.254299 6934.970918 7358.193055 7076.3072 6686.86574 7148.054992
Elloramycin 7803.838239 6311.613168 8539.820634 9408.915611 8400.873571 3990.152295 7854.713601 8220.930524 4377.892957 6834.3887 9615.711368 8777.584542 986.5434078 1072.875458 1247.188925 62.10722093 1183.745399 1748.615104 908.1879191 840.8069776 26.05528055 671.3936494 1027.060469 6.658887811
9(S),12(S),13(S)-TriHOME 13153.44393 12324.70069 13739.68004 11360.21945 12927.31754 13210.72584 11354.90661 11525.64363 11382.82416 9996.746947 10461.9002 11068.78592 91089.22024 96132.48869 76980.01179 86158.96504 89956.8149 81193.93937 66833.17294 63978.79635 70221.16725 64765.34243 62816.82623 69061.21033
Allantoin 2609.541206 2573.722018 2700.275978 2674.587963 2493.749232 1520.588209 886.0005803 544.1126536 976.2528085 668.3225594 922.9663937 411.006774 28011.03795 30270.97355 28585.25529 30192.9305 29338.33809 28340.40765 3025.319223 2712.476886 2833.801388 2630.785938 2736.114122 2929.672629
Carvyl propionate 146.880073 140.6407107 617.6628522 1051.229638 592.3288022 41.89128625 180.6932956 54.0273645 185.8786705 141.8825372 49.57872918 13.89819621 1766.006274 1532.502882 1526.325086 2273.033205 1348.682842 1986.227956 10777.51104 11901.41998 14388.90085 13762.18238 13812.82553 13456.85771
Acetarsol 13729.07641 15266.90665 3845.107985 13073.16106 8945.32443 12753.4806 10459.83455 14874.2249 11601.67677 13728.51364 21020.34169 9715.699701 29639.61969 22005.06649 36999.91022 21755.0723 20794.11814 19435.34264 10326.12924 11095.08662 7908.599084 10919.24774 7680.404576 8634.079301
Normetanephrine 295725.8515 187446.7038 262940.549 225133.3082 237878.8947 211709.1816 4340298.816 3041043.597 3440707.908 4013562.286 4661071.621 4410707.868 1135871.704 1203495.032 1218640.454 1200423.121 1379920.588 1188566.954 59725.6056 58407.39325 73167.48038 70905.08792 58317.13437 84482.94819
4-O-Caffeoyl-3-O-feruloylquinic acid 3507.015505 2601.011691 6499.09622 4166.447344 4139.77036 1873.480673 1049.353499 1532.385032 2549.806413 1061.890672 2383.840955 1187.92938 358.7092545 99.65935913 213.3120605 143.8553763 186.523819 136.1567557 167.4043452 12.7043976 34.55229426 80.26896953 109.4641018 52.22962631
Chryso-obtusin glucoside 16270.37411 17168.08358 14962.16819 15907.21051 14532.36771 13801.22553 37345.1589 35298.73551 36773.9213 36758.53676 34702.66773 34752.53691 100.8653063 38.20344887 1189.609633 1494.08648 3077.825907 16.37233072 1869.224208 24.25541739 1357.866376 700.7410772 1442.220441 1921.46296
Fisetinidol-4beta-ol 277536.1961 252310.6716 264633.1124 265738.1984 237475.8284 247629.5272 288304.9221 300477.9299 272147.9703 276759.2775 280822.242 258846.1812 17991.4118 21048.38665 16328.25598 20963.01156 15388.29005 23043.5095 3137.251204 1289.881664 5477.149218 11529.36506 2406.113515 3762.848061
1-(4-Iodophenyl)piperazine 933.7880537 264.9893668 503.9417115 383.5384878 415.247285 615.8425652 3828.199467 9449.860332 4250.756528 5287.824284 4864.06285 5939.634402 4436.421195 6110.434142 5875.474006 3327.089831 4496.047284 3802.706925 121.598214 261.3935482 293.8644456 150.3634608 161.4770487 552.208805
Thenylchlor 102056.0782 104516.6259 103333.7034 107476.7589 96407.06011 101849.8787 78270.63509 77700.63276 74196.58285 73540.48632 81610.09058 74225.16181 122911.3213 118431.13 115310.9958 116594.6127 112848.7266 112142.403 53973.57305 47753.88315 51559.71861 53047.87872 51706.64392 50426.03401
2'-Deoxyuridine 5'-monophosphate 11673.49566 11053.05115 10323.91303 12862.75608 11364.37498 12875.56774 15193.40598 13615.76115 14977.36767 15660.11397 19140.84506 15658.13575 2137.116666 3178.990054 1618.373489 1795.661472 1973.518568 1683.583249 852.657622 805.525004 700.3319333 293.7121055 1384.12833 2487.476949
Demoxepam 201417.8451 198369.2316 193041.241 197527.5573 190744.6024 193386.1808 215928.8801 221438.7265 208630.0056 219251.0031 224842.5225 232683.4302 192137.4915 177741.7773 181091.2078 193408.4628 178371.7961 187355.1174 74041.74671 72770.81445 77496.97752 74408.28451 70066.37256 76921.66332
DOPA sulfate 320.9880184 255.0181377 192.3715649 458.0603111 322.7143577 165.0095651 106.6560795 162.8397959 67.11913305 101.9628165 158.0577496 76.5496695 2724.677162 1719.774017 1381.967668 742.9595297 1666.466751 1911.307738 4457.293289 4182.567702 7930.587413 7271.198038 4397.235876 4529.82844
4,8,12,16-Tetramethylheptadecan-4-olide 911.9541924 998.2479687 729.1317366 982.0463688 1039.017287 503.1595219 1232.308053 524.6724428 412.4428772 332.3933921 1876.133243 1306.918778 171.5037483 297.5204858 207.2496176 261.6804079 184.821317 445.5286614 128.8194711 65.678699 204.1175653 22.65443876 198.2078944 140.7818355
Isoliquiritigenin 17728.54369 19309.56206 17422.71848 18809.5957 18217.53364 18663.64327 21832.4758 20648.543 20744.2221 21415.29619 24207.21594 20565.78336 249.8228974 391.777121 800.1575323 569.214457 1176.62972 448.0771793 784.8990775 402.5804071 51.07759344 853.3835815 667.618415 822.0419741
Desethylamiodarone hydrochloride 19180.45904 18644.90124 17310.3985 21454.12264 19106.87179 21294.29126 16177.04855 16337.89393 12299.02166 21356.65037 15805.71156 17089.54589 1419.108638 1101.274042 3284.493107 60.77685411 2109.192984 502.7222854 964.2050673 434.7403642 158.725107 318.6124284 299.6983234 774.4742608
Vortioxetine hydrobromide 2633.006021 4673.101662 2776.381289 3544.3208 536.414107 2745.743798 5274.683033 2582.143637 5524.316213 1827.065032 2764.732634 2193.055131 11070.72934 9607.052252 8459.772125 10520.45964 10372.06054 12413.22788 40757.6284 44140.7965 40477.10297 19201.68249 45594.70198 47927.30679
Vaniqa 55395.0624 61339.32307 54839.88492 75466.28889 57312.68266 61239.031 48267.4769 40949.17938 29609.52054 40087.694 55031.16618 41947.67329 347.9270721 80.0181487 201.5163608 440.6111671 915.9933767 582.4090427 204.5151791 509.6817942 293.5376504 35.7527719 207.273521 237.2700003
Extracellular Death Factor 315.0417944 1229.472873 1849.03093 462.4290408 2089.757014 428.1509969 1000.469995 1274.577976 697.9669263 648.2233683 920.7964291 898.4643908 25014.05539 23348.89434 23756.56817 23640.48365 21077.20067 22917.6968 24042.72455 18470.61226 21783.94658 22028.10471 22656.29118 20668.32554
N-Acetylvaline 3966.842147 4092.319451 4518.053556 4358.857128 4521.745562 4652.578196 5549.807563 5140.799085 5664.122505 6152.757613 5848.856676 5613.860245 53622.21583 51716.77484 50595.87741 53215.0003 52610.20785 51412.03166 34550.70473 33320.18347 35971.51259 34854.75412 33232.18173 34758.19653
2,4-Di-tert-butylphenol 6719.552637 9477.110514 7837.440287 6637.565024 6789.74115 7141.686696 7342.429926 6414.348383 6314.682855 6049.753305 7182.820057 9669.543516 15777.71931 15935.51325 17488.97319 14816.97369 15214.01518 16551.72921 12968.83949 15447.28021 15790.39854 15961.5432 13448.19551 17406.12009
Pterostilbene Phosphate 16162.21627 15804.1065 17094.1912 1825.485911 741.6562991 17695.35457 15825.62069 15796.03621 15222.14201 16658.34567 16506.16859 16676.68035 1710.15644 1233.894499 1529.795633 36.00487325 1691.078803 1609.420117 865.5019778 893.8198071 1251.360468 739.8702548 749.5341009 22.18113871
Rhamnalpinogenin 85284.89953 90325.41226 64965.25156 68627.45057 68316.98337 89067.87456 71912.4005 77949.90349 66348.68223 68701.69177 81618.30989 71169.50219 97.7991616 2761.452918 2259.422254 2430.975896 2395.769567 40.28336332 1806.935213 2062.261908 1806.193587 1791.895637 43.80818159 1554.914877
2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole 278.0111332 16.60181649 139.4569019 326.1654692 202.9402172 147.3161766 502.6578248 246.2908836 192.2427421 406.5734703 332.3331628 112.8796276 666.7116297 1020.233037 572.1805899 495.5166968 102.0524802 921.3128381 2844.294487 4610.123205 2961.491877 3749.881704 5849.756177 4432.901507
Pulcherriminic acid 7243.147094 6660.534411 8516.839074 4342.433054 6690.089544 7310.837535 5661.272396 5931.841532 5048.912011 6699.05575 6596.313431 5756.027113 40463.12732 38716.93649 39566.91449 41011.25246 38226.96636 36939.39291 14372.50799 12834.38682 15356.93241 16776.20987 15919.34373 15573.26462
2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol 1483.570269 1768.548171 1361.285442 2633.815566 2245.587104 2619.907929 3918.258535 4922.550733 5182.618736 3999.488495 6179.081738 2428.441835 46339.42763 47511.18717 47339.64945 49350.31359 45994.73955 47279.96401 35419.74423 34367.07536 36521.84371 36001.84946 35286.88126 36440.37035
Corynebactin 29300.66181 30023.67369 29779.66016 29804.62396 28264.64648 27838.67959 10081.839 10038.40756 11412.01499 8164.361338 7364.981078 8868.542729 6128.924367 5970.391426 5314.929847 5712.287375 5403.938488 5685.559918 7758.399217 33.98695173 22.79871825 4867.945089 159.7244366 7701.543914
2-O-Feruloyltartronic acid 96857.28769 106701.2819 153087.1703 92277.30153 98623.08683 91247.44393 156971.4057 148119.6833 144274.1138 136861.0059 150496.5658 147340.3395 485.0931269 2950.834959 497.7840668 2645.761425 388.9333175 1747.784263 902.8065658 991.4566396 1516.78369 1349.115041 1931.79822 1500.865916
Ganoderic acid C1 537.9804047 389.9830561 305.7062177 386.1990683 226.5959144 170.1215034 954.8225543 524.1931419 1035.463819 1021.854918 625.5535747 754.3755033 2849.159334 2192.132696 4608.985759 3839.830861 2395.249681 2708.347105 4583.037956 3136.428888 2758.860113 3776.952452 3941.153184 4098.165499
Aurasperone E 24090.21126 23686.25751 24348.64732 26511.95628 24510.7388 24559.20647 5057.89009 5027.814183 5317.815739 8477.532898 4808.296077 6694.486073 700.0919351 50.34903295 778.5494324 504.7711395 60.58276819 299.6392103 69.17868432 188.9408228 71.06170135 34.7121084 616.1596187 76.21999828
Fonsecinone B 4437.617919 4072.47642 3939.928174 5081.784855 3751.321391 4221.998609 1245.709852 1486.407321 1138.212724 877.8269 1014.656481 1127.446479 13.4840829 24.28571948 11.44107369 8.364461261 30.72731872 183.8179804 1.422922463 13.49844972 8.768336459 15.40460082 4.41298708 195.9688516
Calmidazolium 35617.09958 43730.51068 42404.68312 31808.45865 44283.56405 31882.33808 24044.8327 21434.9955 20323.81407 21661.50455 18210.53881 17612.4201 3390.063332 311.5388478 7924.050489 799.5977481 1610.616513 920.2539048 1730.251048 4431.877129 2534.750552 8628.216794 2449.623402 876.7811529
Mephosfolan 189044.4119 158659.7112 152980.2677 178383.5296 155273.281 150060.6219 104153.6437 98716.14395 124094.9035 89932.0589 93506.04305 88820.64041 2185.672217 146.7867903 54.43841379 2250.912425 2117.361241 2195.360004 102.2737417 35.34023993 55.59279483 1046.940045 247.6506026 377.7256575
1,2,4-Trimethylbenzene 9796.914489 11002.9065 11324.38363 10795.73007 10742.88984 10163.21246 8071.262942 6580.177093 8044.671097 8107.386661 7606.19539 7676.386782 11059.72033 11470.68639 12171.67432 11744.63141 11777.68298 11789.80374 12753.53943 13755.44182 13600.84344 13761.23252 12663.77011 13852.70201
Nbd-ceramide 357.5749484 290.5364162 274.5657023 282.0307675 301.9421384 307.0176526 122.3243754 217.4948555 200.3555778 258.1289726 213.7716656 217.2108336 4926.45735 4815.474848 4212.54249 4321.931966 4717.058821 4503.379039 9422.44437 8089.184097 9765.665855 8342.85493 9412.613526 8549.223337
4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate 5866.068458 21910.79122 6366.459448 9156.086706 7856.343117 6420.300611 9965.46713 9611.47145 9557.094275 8549.618814 9228.660912 9998.265856 14310.24268 11386.07063 9951.740091 9459.392261 9175.149435 10653.6206 6446.563647 6856.387843 11038.60061 4883.704157 14357.65955 9952.057317
1,4,6-Trigalloyl-beta-D-glucopyranose 19858.85799 20293.6951 3460.22362 20672.64439 19909.19269 20583.56715 22967.16993 23758.72849 24062.88315 24626.74281 23569.35237 23366.86843 12561.61502 31247.67413 31600.71327 29512.30134 25206.88788 31944.66132 24875.58254 37877.46077 20500.12298 28048.50206 31180.36497 34016.34511
Decernotinib 2227.250688 1867.874347 2288.867641 2335.458599 1864.558608 1989.54183 1337.827058 1136.203196 973.4560432 1262.36007 1382.217051 1247.675429 4326.560187 5022.321758 3991.182861 4930.760449 4391.847024 4329.730891 933.281256 798.1424304 859.1909211 1031.878085 907.0432383 1082.908718
Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside) 42300.91141 29731.16341 26897.63071 32865.38916 44399.1624 38061.92954 55885.45373 46665.53367 98892.28591 109373.9453 44634.53818 42057.0054 139891.7823 149633.411 24476.19395 10775.44945 2695.946175 155777.6842 41039.26053 52671.36076 42145.98584 39344.82973 38480.82602 48346.43693
5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide 44609.35585 33498.36449 29001.17195 27951.50302 28080.65823 29291.08057 43736.05118 41931.83 43823.94442 52791.07347 44163.25087 45739.78369 1653.200284 657.2930372 1020.936493 2007.412113 556.7287084 877.57094 573.1862354 1023.76481 1058.219656 513.9684721 1115.990889 589.6175953
Pavoninin-1 2209.246925 1817.464872 2173.53473 1958.109351 1859.515227 1753.319774 2256.397174 3058.974282 3016.469595 2985.652406 3757.602922 2905.606215 4996.604501 5078.369392 4753.068541 6059.542394 4740.621219 5281.909445 8987.861448 8427.559999 9384.517846 8524.062873 8822.292561 8306.9611
Ser-Gln 982.4529514 644.3485343 907.7727579 530.4345412 1122.304606 1256.708144 1124.338057 513.5552927 1283.427154 1100.79591 530.6761957 1243.371959 2106.037734 972.9323093 1507.385748 1130.076129 2068.984374 1861.144328 2301.966212 2179.651528 2824.350764 2162.999744 2559.815313 2487.836212
1,3-Dimethyluric acid 72755.05161 75120.43392 80075.23657 72826.96586 74975.49523 65742.51226 66425.28626 64503.83476 91758.03583 67929.67221 66309.27211 64504.11115 205994.6596 204367.7758 203470.3738 203597.8609 200851.3822 200217.9755 90146.25821 87780.58892 93866.1831 90336.82906 95180.81597 93010.20092
Apigenin 7-O-(2''-O-acetylglucoside) 7931.590268 777.5791968 577.9520753 1307.219145 7394.096856 6846.861679 15753.50762 46591.30279 41643.97394 12144.10316 19314.63116 37478.75288 199310.7502 94603.45328 81408.2943 85917.66195 98974.98813 101075.3554 12156.33682 2730.684773 5974.783093 9214.48444 8604.486202 7020.824369
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) 260355.8706 261286.1257 294716.9437 292330.5825 251352.6588 274480.6118 338508.997 372631.5824 325823.1004 336268.5541 341447.339 345174.1389 6228.453101 2730.33454 3104.087614 2977.187148 3449.810104 6035.170055 5294.263378 5568.959153 6076.045729 5247.311285 2682.965145 5038.235654
Nonoxynol-9 iodine 733517.9002 672381.6421 675886.3722 698243.1511 640820.6389 698756.871 748319.1664 729791.8956 740004.7972 727187.1624 742436.3331 717137.0626 11061.04748 8686.291248 5167.583742 2886.207819 7660.26499 7653.220766 4020.710772 1273.600384 2736.812456 3256.314139 3206.379468 6440.027197
4-Methoxycinnamic acid 695.1053165 710.1347212 975.1076733 713.1067217 32.40467789 969.5553276 52.5618669 671.2951107 1015.838477 890.2759861 1178.275356 852.5302045 7581.868725 10893.9737 8978.092617 10672.21519 9832.79261 10212.54548 12700.66583 12589.67261 14295.09512 14069.74918 11383.82876 12093.73098
5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde 611907.8974 572470.9947 608916.0207 567161.7111 578552.9022 551464.0667 599671.4268 603993.2477 568224.2264 623025.9435 616298.5673 576472.4981 25706.38917 25594.09916 266.4560042 27951.04784 70.5210514 32605.86379 135.400646 14002.47438 11345.2666 13070.1714 14950.56059 14496.72337
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 2317.491733 2674.116154 1555.328213 1367.846973 3718.994256 2815.711706 1667.925824 3361.826845 2393.61971 1205.526406 282.8435806 2494.994283 20043.5586 23326.17078 17281.09102 22780.57771 18403.49062 24426.00077 510.0664231 228.6082701 494.6574574 35.64132002 305.6521382 367.2141286
Chlorpropamide 19871.18947 20701.07423 19848.97581 21323.54349 19786.24721 20137.28841 18276.57679 17077.3015 19560.18637 18291.80847 17752.65709 16846.91994 49.20548194 1000.99437 1028.93853 1177.120073 1115.821218 127.9762427 100.5538028 335.7546006 121.1219851 79.9856655 21.50434817 32.41003776
Rebeccamycin 2718.694311 4312.626091 4298.127354 3112.82517 5586.488486 3795.045647 4082.81157 2119.525208 1134.036068 1572.981847 2087.142933 3148.510505 669.4519508 182.2271682 203.7917824 110.4402667 127.0062073 283.2217016 266.8392648 197.4178544 228.4279291 165.71242 239.5909453 269.9630655
Isochamaejasmin 27807.28636 24197.63584 32201.11876 25142.65191 26728.60347 24455.64565 17518.40442 24814.93123 23402.81343 29454.50192 25760.36489 22390.01518 16154.40545 19207.2484 16557.84952 17177.37791 18382.69631 17922.97094 6346.358201 5361.72702 13856.5879 3110.922963 2497.639326 8588.559266
Neurodazine 40.3903019 64.3221767 46.7724703 75.59001774 44.51526419 9.958947184 4.641511272 2.371764834 13.12115993 6.659363442 30.53325874 4.171529733 10.88973848 1.109369315 10.2521004 3.97842084 17.40183407 6.401213341 4.6032641 1.848951643 9.531682553 4.705274392 1.861701913 13.73469937
Pyrazosulfuron-ethyl 27444.41264 29257.04295 29822.04492 29286.17034 26811.90349 29089.59153 27482.4383 25019.45955 27465.91673 26085.48019 24061.38605 22406.29024 35461.82877 37132.15336 33049.96103 56400.01186 37199.30029 50818.08781 37469.32899 29205.28501 38543.54516 31757.2696 34872.07041 33769.98677
Arginyl-glycyl-glutamyl-serine 2024.223262 1975.665209 1709.779676 2066.86132 1918.315386 2338.361539 570.7053792 748.880653 468.6969097 335.6887715 691.1096013 341.7168558 450.4587283 274.7843978 425.0923734 320.0329448 85.72275066 296.2330437 234.9365096 411.3932451 138.8006374 745.7510797 72.02335738 37.42070041
Leucocianidol 245059.8075 242625.6798 242938.3007 248118.4884 375517.9203 180030.5888 371142.5525 371355.9665 233806.8365 229219.3795 232052.6045 230036.5495 62766.72362 25902.56928 60965.46646 66313.62637 59552.23233 72269.24092 12165.95237 12623.67622 13189.87849 12428.71827 12686.65267 15873.81159
Glucoliquiritin 19735.75515 20037.30116 17467.11809 21068.13877 17748.44956 18192.203 29024.01206 27607.03003 29533.79188 28688.38022 28149.98778 29984.26717 23064.77552 4334.637587 5416.474466 6847.000955 23166.33593 5648.012142 3081.398657 2676.683558 2002.178585 2376.317283 3514.373351 2015.815382
Asperlicin 125297.6501 144008.526 173257.026 139428.7332 156878.1927 125191.1715 96568.37029 87328.97863 93986.19931 81175.76797 97421.06099 84161.20208 8564.166864 8548.469156 8964.222917 9158.837061 8089.659204 9188.015827 18678.09996 14760.63062 17263.64219 6447.828931 16170.47655 19982.10429
Asticolorin C 553316.5424 524130.291 517236.9906 479151.6273 495097.4634 507273.047 329416.6363 330594.2034 339251.0599 338526.6855 315921.7156 338222.4519 18937.01141 18924.66743 11651.38907 19499.8333 13275.41328 10856.61414 1745.775066 702.8339904 204.147375 493.5298847 753.2693529 1323.173221
Fosphenytoin 2881.551144 4118.651987 163.9049897 5358.110717 58.1202292 5413.012099 2549.220893 4391.988237 4920.259255 4450.894294 115.9324368 3880.457054 72608.97102 69926.64655 71054.27181 71459.88456 68674.86234 67923.34661 63195.51744 57271.16931 64316.7882 65735.31647 60868.24288 61960.50439
6,16,24-Trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one 17234.94689 15242.13242 15995.52019 18087.61956 15298.14118 14086.23832 20220.23333 31254.18688 19636.27031 20586.93982 18727.62248 19759.24208 17870.94627 15472.33661 14509.2879 15537.71286 16019.20529 20038.50621 36786.46467 34238.64566 35920.60884 35519.06578 34578.55629 35312.00688
Nelumboside 5270.643889 13027.69053 20304.76677 3220.036716 2736.156145 1398.326435 1825.675526 1449.656902 989.0053435 1900.581469 1009.31965 12567.95659 800410.9715 779343.8397 753321.7325 767800.4377 705266.8509 766590.8808 896148.5493 955235.4289 992666.8683 956195.5667 930783.7339 924132.6965
Enrofloxacin 1608.584962 1691.60721 1491.85581 1772.832977 1119.649198 2273.421919 662.0659399 693.7382668 758.0902077 409.0620389 1168.903235 778.0720686 820.7905066 975.5572199 404.363482 622.9345005 453.6204103 971.3260418 635.6732787 501.3116236 500.6681613 119.8731057 326.1078305 809.3695876
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile 40090.22395 32983.0479 41155.56977 31044.23392 29046.49812 32226.64164 23070.24085 35121.23575 17338.21208 37199.67276 25370.54352 35296.57121 1713.403333 2842.80831 2736.780152 2086.445873 4650.085217 2970.80655 14554.08841 10827.58646 14046.03182 12109.31117 6804.150579 13648.86904
N-Nitroso-pyrrolidine 95.33476587 144.6325976 118.3895632 189.1143146 120.9847926 257.634197 74.57744946 62.27145008 20.43270789 29.28245581 224.236005 147.2002207 4713.865532 3547.846352 3802.165307 4270.399142 3751.701743 4346.060635 1821.494201 1404.216001 1564.266966 1358.213627 1154.767753 945.1894868
Thionalide 39461.18741 38713.14669 39715.36961 39957.05399 39393.29008 39739.51753 11726.13209 12750.41093 12387.56753 11979.18706 10378.56134 6118.368667 2648.578087 2705.785821 1282.181588 2205.819509 1656.114774 1916.376129 24.47326052 23.64828527 78.16212634 23.64826776 66.81951431 821.4134177
Umbelliferone 264.9559247 115.3325137 380.0491916 346.1473929 58.52185182 145.22893 177.3614621 77.344614 298.1634098 289.8684147 139.8262493 97.24281933 246114.4275 246782.6255 245708.1765 239971.7187 238587.4789 233605.9677 399513.6932 395950.9697 391746.3269 407616.0074 398101.1869 446605.8945
1-((4-Bromophenyl)sulfonyl)piperidin-4-one 69.20985442 75.60558028 437.286911 62.51842275 372.0572492 31.99201947 1169.537897 1113.804425 438.719734 1228.556176 1237.201354 922.0913037 11231.09088 6736.743091 8986.591495 7852.556931 6422.531463 8116.565282 3899.059904 4079.531291 6207.039146 5290.858447 4425.636988 5193.50019
Maclurin 3-C-(2'',3'',6''-trigalloylglucoside) 52868.98829 47357.89899 46228.27921 47295.10826 45053.00883 44795.12528 4500.585514 46907.65974 17712.14743 46044.65334 43824.77167 1496.871956 3008.753821 3920.057825 2536.412879 122.328758 49.47509926 2836.576284 1160.736448 13.26918245 18.74534996 27.085883 1468.115265 20.85159588
3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone 551256.7413 584338.8077 552136.4871 575689.4351 526869.6318 552948.932 522462.2777 531836.7282 451485.0977 496728.6056 564905.3509 504700.5532 2304931.082 2263815.368 2252833.243 2439696.863 2242991.397 2293378.856 897928.6629 872804.9958 941681.7856 888159.7731 892439.337 946872.5547
Mangiferin 6'-gallate 393825.9908 437803.3539 427793.0139 412528.9828 397086.5031 400172.8636 225607.2305 236575.5174 220414.2972 194993.3641 216516.2425 234849.4139 274.0902814 14573.12748 116.3389611 198.566827 21.7340715 167.8195658 52.68262009 82.87845353 108.2674106 53.37378379 77.80583785 113.8928076
Coumestan base + 2O, O-Hex 35562.80666 32307.22331 32087.20549 26538.75357 37058.86715 35958.01535 26175.65301 32791.29871 28968.42393 35302.10108 25187.54975 30026.10779 4805.961938 6729.118995 13655.0953 11082.66356 6680.747653 5956.800576 12470.65142 10615.3128 16221.14258 8330.873791 13598.90306 11124.1
2,6-Difluoro-3-sulfamoylbenzoic acid 144.7128509 64.40053664 196.0962899 189.6450038 42.10534532 107.5347133 85.89184483 128.4117511 40.52612167 173.7078054 153.6989759 110.7459142 438.5574597 573.0204143 781.6846918 161.9517802 812.7397105 939.3634717 2249.993252 965.346345 962.3481916 2182.246709 2096.963913 2152.728451
Tetrahydromethanopterin 243.3866967 489.1260133 1042.459123 2331.447852 2772.022175 702.9290681 4788.291191 2902.290602 949.3342604 2017.234336 2020.217335 181.8662377 281.2190359 428.5802514 489.0031879 434.7567536 401.1235746 517.0889841 211.6181336 253.8233581 189.9343734 195.3142262 421.0345026 426.3896086
Rebeprazole sulfone N-oxide 197.3700524 113.0916904 67.7581351 129.2457033 319.1850622 187.6481855 194.7990604 128.5131953 74.26708369 72.64359449 61.68625037 42.32788994 659.34096 460.2797715 452.9751455 1097.506903 2212.857054 867.3946456 1181.311019 937.7014556 564.2381699 1074.9442 1046.325197 786.3001426
Ureidosuccinic acid 50.39557306 244.2431053 356.0800944 67.09244393 3572.601771 461.2605426 142.1740833 3902.309279 5599.384025 20.2534475 230.5530791 3753.909791 60750.58781 62634.98506 65130.61663 63569.88176 63436.55614 61057.7299 132766.0994 135215.0377 140705.2042 142957.097 139449.7083 137698.4915
Dianhydroaurasperone C 7965.582813 11997.05422 10115.51055 10230.30089 3023.736085 6376.033627 8311.098253 13119.9688 7747.231407 13955.02582 7916.774625 7921.670213 602.0588067 1530.323653 1593.855297 247.9201818 987.1465236 218.3090189 195.0517947 239.4087898 578.6789765 26.97391426 579.8822705 384.9948305
Phosphocreatine sodium 4994.455202 3870.74644 4568.07275 3923.945043 3504.864853 4006.238111 3954.008108 3020.12597 4476.235107 3904.94638 3152.67844 3373.509567 8940.903092 8927.780782 8994.544928 9486.160795 9375.546347 9426.612871 11998.27247 11305.95587 13509.69316 11963.76189 11974.21031 11395.29533
6-Phosphogluconic acid 21017.12053 20810.81478 6073.477231 14829.80178 16649.05323 24923.46445 17361.97319 28445.21546 30557.35386 28193.60721 30951.72524 17683.71771 11580.62161 25317.18513 35868.85636 33612.04662 24947.30551 33026.5574 43665.27334 22939.19193 50859.92971 50687.12093 53803.83471 50824.63808
D-Cysteine 1199015.475 1161748.699 1202355.698 1259532.924 1195391.752 1220437.54 1106531.925 1115628.345 1053852.939 1147459.822 1178364.71 1150723.716 9549.74186 7291.924149 7932.63217 8717.22235 7886.354127 7942.629522 1620.332966 1567.579122 375.9586231 338.0078126 1839.864753 1586.025408
Prolyl-Histidine 5106.616284 8433.457973 2855.977597 7085.36255 5763.404536 4939.745549 7204.765526 6964.285481 7275.962147 7829.629188 6334.889727 6503.05462 99241.69723 96072.8353 99888.79717 100535.1811 95813.6716 97458.60203 144781.5693 133994.0846 99384.65052 145021.786 93484.93515 103436.532
Pyronine Y 12043.23937 12688.29729 13119.22241 12876.83915 12030.13251 11514.64026 14079.09293 13353.66168 14173.33587 12407.01544 10287.48241 13963.85586 39909.51308 40992.44374 82189.92468 40843.17117 38809.5788 39388.36842 6089.988194 7151.072682 10485.43194 13071.56472 12658.09259 10519.49508
Pinobanksin 5-[galactosyl-(1->4)-glucoside] 146626.8107 144427.7227 138473.0407 141566.4835 149528.4652 128849.4811 159652.5733 158059.8836 148943.6895 156989.1187 158238.9823 156256.1213 16119.14894 17947.42834 3066.661026 4022.933817 2653.323268 6580.725551 1183.566005 3239.30499 1300.376246 2313.048763 3582.80276 1784.76571
D-Myo-inositol-2,4,5-triphosphate 8580.949822 9435.905644 10606.47519 11877.50747 9411.356451 11225.08706 9608.485906 9983.405734 9884.9 10551.81285 10072.63575 10787.54909 10445.30214 9725.448791 11366.96835 9587.164246 8930.489139 9036.646273 16145.64059 14460.03028 13164.62591 17875.98602 15091.38526 18715.86013
Bromfenac 1709.085342 2040.486551 2494.389107 2708.889626 1918.806326 1700.676126 2726.751849 3720.819831 2538.683346 3682.407893 2827.8611 2556.515631 7298.061803 9356.65782 6895.783982 6401.641214 6733.429445 6267.763067 8492.101435 8583.472096 11060.75079 9116.907352 8532.500253 1269.154721
2-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide 7789.889556 5635.469553 6571.156471 6388.309825 6182.938013 6925.291277 2067.470519 3635.594098 2381.584037 3069.586077 1649.163419 1091.01883 3517.032986 30446.74462 17687.33642 32114.56683 31858.50817 29938.17146 23791.69637 22591.01035 24402.81783 24409.44046 23062.61479 24919.54961
2-({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid 114701.7778 139444.3306 115103.2016 113365.1567 127556.5561 106373.0242 192305.1415 186103.931 78534.08385 80149.98104 78523.14077 78349.10402 22199.6078 19178.52813 20614.36727 22038.42037 19150.99694 16911.89461 12376.32987 13340.0642 15269.21155 13341.64212 16361.68738 146.0792391
Tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,3'-pyrrolidine]-1-yl)acetate 23878.33441 24004.28116 24764.32366 23116.40717 21638.99428 21567.2282 19702.9071 21595.93401 21497.54166 18644.65613 21192.08776 24041.13988 7240.337446 7928.69042 3718.852274 6166.53582 3589.772943 3510.581392 3335.08557 1238.065903 3584.519757 2296.79596 2790.762321 4206.432151
{5-Chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl}acetic acid 19178.26007 19823.4288 23806.132 18390.08801 21771.41207 23314.97343 33714.76747 18044.97883 18578.65009 15030.68337 16028.0835 16614.35083 270.4133305 1860.831367 2251.583722 1952.561054 84.31662467 2669.829039 613.0993462 1696.283597 72.08076105 1439.083972 2001.066353 1467.582416
6-Chloro-2-(2-chloroethyl)-1H-benzimidazole 350.0949884 192.4678585 214.9229343 207.4259458 383.5598407 297.3124698 1753.599195 348.5519263 518.3330606 251.5717431 311.5706379 268.655473 290.1501982 269.420441 221.009079 243.9717924 257.2205863 254.0517532 259.9302322 444.3141859 238.3457792 306.8193325 320.856334 279.9532522
Glycyl-H 1152 dihydrochloride 2096764.647 2087152.805 2072168.869 2038915.895 2055870.254 2033120.427 2363589.606 2347762.107 2420903.129 2363367.282 2337380.924 2376459.519 1064342.925 1062085.577 1038310.674 1102098.611 1148621.754 1076676.292 644884.7446 646520.3434 669865.9652 663691.125 652774.1828 671646.7408
Cl-amidine 561.4454246 230.2722727 336.6620028 334.9409886 44.27510583 799.3726269 328.9209748 562.9120987 16224.52768 223.8871448 193.1146198 672.4243745 651486.8148 693221.0338 613314.0158 671629.8567 665811.3024 636710.2785 152880.7074 143403.2336 159737.2444 153796.3453 153675.1285 167348.6769
Brexpiprazole 25902.03643 17365.91896 23789.6462 19664.69975 23086.43179 17522.92404 19277.46308 13651.58576 15661.45062 15726.20315 14722.97455 19569.75165 64058.6275 62009.59039 63806.31084 64312.86316 62173.06181 61851.88746 284437.556 265946.4596 297905.4724 277237.2343 282109.8599 280095.669
Benzo[b]thiophene-2-carboxamide,3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]- 194.5451398 361.9125224 4634.835298 4319.608588 70.48706541 339.9178337 360.4825162 92.62399764 3927.715262 4716.166451 480.6421503 2880.506083 70044.59871 69670.95794 67295.1021 68033.59523 65791.11826 68375.88771 69311.15891 86908.00118 84342.69538 85473.17524 82166.8575 85075.99706
Pyrrolidino PAF C-16 12080.25048 11186.2009 11484.16209 11640.99227 11069.18746 11609.25826 12566.07993 12087.26512 13399.5163 12666.45734 13291.00729 12723.45846 11801.64387 12549.00017 12272.20324 12921.29412 11603.21194 11189.56125 12178.59865 12943.41459 13144.69621 13138.51648 13599.44505 13099.17845
Antazoline 3925.014435 1863.845926 1973.460912 2489.377691 2746.490993 2842.539369 1637.695518 1369.735777 2573.702167 1454.478596 1855.847111 1918.517195 2342.232952 2351.258626 2480.454271 2468.771415 2267.57246 2418.404459 6314.592898 6850.224849 6793.322731 6713.365005 6876.269352 6473.076889
Coumarin 2357.074965 2149.731569 2068.935789 1963.548529 2171.695099 2189.046521 4295.595344 2697.514957 5348.490328 2333.309759 2589.083468 3477.392405 23251.14797 16073.87737 29466.0226 27140.70245 25683.50202 21246.26313 11451.52233 3944.725059 12133.3571 9191.087376 11687.3524 11664.61953
Diphenylmethanol 120.1987609 131.6648768 193.8924025 137.2430492 94.6700224 81.75290925 18.97367428 301.8363179 105.9895953 204.9940934 230.143064 142.9541528 1099.246315 74.21729075 1183.5453 116.9479532 1159.862832 61.99086494 62.07252503 178.0689593 377.6251206 111.4607578 294.3764974 784.0298977
Valyl-Hydroxyproline 220.7979197 726.9504857 1109.135316 1960.202107 612.3429015 832.8923251 1464.588971 2580.147031 1820.13308 2992.693128 3006.798807 2976.945977 17102.81704 15254.85084 14892.41548 16405.47047 15871.22592 14897.55209 17439.20491 17131.68663 20326.5495 18970.97077 17841.67086 17012.11106
3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-ol 8843.697566 10693.59316 6654.418363 10749.3016 12410.67186 7793.637179 10298.89195 7402.120567 10081.73564 5335.788333 7272.210485 9793.638564 108.0650065 177.4736742 86.20230762 16.29274868 150.4283884 416.67204 160.4332731 64.29815608 113.2181221 264.3443888 33.25048298 70.07528403
Thr-Met 188606.8093 191883.8797 183153.8432 187862.3368 182418.8305 173872.5372 189037.1264 185769.7392 186776.251 190609.7918 190712.3531 186257.7648 1874645.574 1784931.782 1810537.145 1857795.462 1758105.781 1777626.559 2032556.882 1908651.301 2047737.154 2062416.904 1975075.942 2017423.561
Neochlorogenic acid 1375964.482 1342151.979 1358357.426 1398296.15 1290961.053 1302492.689 2183981.726 2112609.314 2135797.857 2146466.591 2296585.671 2135995.691 1105080.971 1077846.487 1082020.933 1101592.179 1081982.649 1081308.007 229604.7959 232195.5734 258435.2228 239864.8736 233883.4317 267646.6742
Pevonedistat 20344.54003 19114.72704 22510.73694 19984.49032 17978.04617 20602.23169 14775.22241 16554.47809 13859.256 14915.05697 16020.78707 15370.99497 24219.17887 23708.60307 27335.60875 21886.48293 26468.48492 23094.80347 95142.57203 79612.76639 90734.74058 88633.48894 79403.11476 91889.27021
4',8-Dimethylgossypetin 3-glucoside 71211.66884 70481.13163 45815.66416 52791.05992 60105.0717 101843.4294 112910.0809 118358.7938 102382.4483 111780.7753 115004.296 111941.9905 86113.5808 87710.05034 48061.85922 82780.21564 83113.61558 83642.42976 9658.580101 30151.59669 12130.83442 14430.39465 13442.39558 11778.06958
5-methoxy-1H-indazole-3-carboxylic Acid 4756.654968 4326.842221 4740.031521 4757.870719 4740.347091 4073.62746 4416.961132 5446.149558 4640.162039 10336.06307 4107.188537 5274.123052 1088.478447 765.6236416 700.9530945 925.6819571 542.6167558 605.3624571 935.4267727 901.4536704 1492.430269 1196.836654 590.563346 1077.975001
O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose 749.4507203 580.7493224 131.3089121 20.2962405 1464.04169 516.0678819 8239.142793 6966.924832 6340.692773 5042.101057 9243.578247 10507.50616 168.4765049 704.0329294 372.8554234 424.5769623 1139.292905 556.2973015 657.3442438 755.4413024 516.0157406 558.7930204 301.6263059 932.7231027
Bicalutamide 9868.733202 10548.30537 10107.0462 10487.02523 16275.91258 9345.207477 2047.29304 1837.980021 3786.189275 11558.86601 3680.285769 3017.324185 2396267.786 2353896.676 2208177.101 2274985.247 2180467.581 2094967.137 3423407.08 3485709.237 3571104.155 3531481.004 3463958.46 3467590.477
(2Z)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-5,6-dioxonaphthalen-2-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid 7378.168747 8074.419896 8729.227446 6237.209193 7004.776345 7070.104976 6063.197241 5108.522925 3498.179989 5312.86658 6140.041377 4880.091306 8473.277638 9954.429102 9454.408869 11072.26717 11903.01669 11413.56821 12814.37576 13392.2243 12702.18842 12720.67915 12943.09883 13871.78962
Gossypol 18414.28229 17199.99086 15464.60669 17872.68199 15349.29035 14594.90109 1157.761286 1106.938864 972.7377851 1142.038441 921.7221201 982.8697627 1639.802312 30.79993822 1043.552161 1520.098119 1549.164447 1157.131498 68.39984286 52.79971594 760.3034807 55.33299671 829.1378571 67.39961321
Amylose 28.46681574 72.15210936 24.86235291 74.5613542 13.57648505 45.47955597 81.40287609 70.89332062 57.42636572 141.6227508 204.1926913 108.1396507 2420.164504 2064.603128 2324.256032 2266.044395 2279.026561 2140.609075 1061.607528 1152.579972 663.9312167 997.7945208 749.4972033 1079.002824
Polyvinyl chloride 1937694.724 1273801.827 1243123.816 1143509.182 1847749.409 1043438.359 1556110.519 2273817.862 1629994.456 1379830.616 1429302.574 2160332.216 400170.2952 416340.7969 680509.7095 359800.6952 347615.8134 359296.7619 494452.614 476501.4778 492487.9189 416919.6001 547249.609 530259.5923
Lobeline 11628.19246 11187.41196 10372.39657 16524.6393 10287.16647 13108.24609 3617.962809 3521.530019 2240.137938 2252.210123 3884.131116 3320.054025 7369.509543 10224.04609 10957.82996 9599.545355 10513.72619 9730.753891 3670.811851 3810.156033 3195.269967 4426.004924 2851.420009 3897.229337
Mandelic acid 44516.50519 27945.93609 27319.03077 24606.38492 29385.59144 28898.31023 29384.35723 28551.14907 26950.95623 28630.086 27132.72418 28281.18135 15916.43329 15007.87548 24633.92917 15087.96236 25447.17876 24092.49998 17156.26851 15954.06712 17843.94454 15551.46557 16651.61641 16657.58615
Pseudobaptigenin 83930.77693 85867.14245 85210.7168 85872.0505 80420.03696 83586.70781 34984.211 34820.10757 34584.88299 37211.42366 35198.40608 36039.96248 27535.62179 28128.85722 27425.81663 27492.02706 28781.9311 30930.52937 5356.195592 6443.134219 6686.438253 5581.72638 7021.79983 7907.005483
1-Naphthol 6143.441411 5612.076425 4756.924977 4534.066127 5147.428987 4841.324742 7105.794308 8617.118017 8099.565979 5606.575076 5072.669463 6603.627436 834.6413569 854.3731566 911.5414578 879.4577106 831.1251577 705.3055755 560.7326433 539.3362306 240.1379495 578.9342046 575.3663652 661.5584973
Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside 369.6862646 392.1565614 555.6341638 502.0316979 477.5638253 321.0563239 947.7026277 881.7897708 1140.083544 817.6511185 988.7671539 878.8999218 4.789118258 65.79351166 23.94546682 48.2576101 30.02397769 64.00839243 50.93030112 34.44469358 26.89274332 138.7265099 89.78302036 62.81114546
(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid 4468.983579 3494.414267 1978.599799 3697.09183 4124.691489 3596.707308 7528.189091 3808.771765 2768.001314 3911.061614 5094.338688 4016.725614 1998.98751 2259.420416 2108.254618 2273.017426 3185.841313 2338.321436 2563.710301 2056.15593 1945.786827 1817.453398 1893.2712 2093.871882
Perrotetin F 864.6665885 545.3604434 1177.293478 521.3106981 122.3689863 589.6767591 629.0986323 486.8052076 457.3874171 467.1618754 142.6546795 305.9887938 2609.003374 2410.409004 2590.033137 2340.241815 3507.523119 3101.919458 9202.779434 6581.334592 8574.046217 7298.359197 7417.072039 13428.66513
9S-HOTrE 848.0211412 233.2543706 65.67514183 461.2209224 465.3582906 1846.60038 79.93682682 1028.710933 901.7323442 475.9396404 248.0912736 571.1739007 129942.9495 132653.3022 120353.5635 132784.759 137492.7048 124154.3191 252598.4948 242584.9693 269042.7695 239362.0789 248424.4961 260213.4236
[2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone 483.4394786 462.2774752 278.4568263 564.4570319 398.8966032 534.3754271 61.68876753 100.0621194 69.12942713 102.1012978 110.4070338 65.81808781 1.709545584 10.57347087 5.888898726 3.643200403 2.94580576 5.574881317 8.282485289 1.481586569 0.824235552 0.42738143 1.025714159 12.69020361
Kuwanon R 179.1067411 304.7177249 1646.521924 1697.567668 196.0355144 103.6037854 803.4417236 92.09280084 114.7763734 773.855341 318.9396522 835.1355602 35402.06885 34595.15679 31933.02602 35214.52932 35125.76727 34432.764 61801.34914 55914.53164 28922.29535 58613.99967 57880.43559 59388.73262
Kuwanon V 190.3060751 61.62265024 229.2285494 377.9602844 160.2418143 236.8433092 309.7804375 222.6118739 198.4627337 291.3171761 150.6799938 192.4723202 5032.361848 4751.159072 4505.676841 5773.712349 6384.949427 5837.913263 507.188079 1076.001247 1544.331891 961.5030427 574.3793826 1268.681903
Hypoxylone 88267.46078 85441.22931 47214.67496 92504.86554 84747.93211 80127.56637 59289.89744 67460.88215 65087.23897 57606.32724 71992.06758 64790.96643 8500.055593 6529.557549 17646.06885 11928.73063 6491.766393 19138.47205 574.3054476 424.2523655 4292.301551 3763.926522 12531.31639 6061.231821
LPE(18:1/ 0:0) 13941.45867 15325.57344 15057.61579 16322.49205 13858.67331 15165.7534 13912.12796 12936.57195 13331.98418 14281.94276 15323.1273 13398.11126 25105.02591 26661.2654 23806.17156 26021.82083 25472.56636 25784.53681 58154.0529 58562.01675 60052.35978 58176.19035 58767.8164 62433.43716
2-Phloroeckol 206867.2266 13386.38973 134747.2145 173556.7577 9787.441021 207084.5008 967773.8826 585551.9082 907462.0783 1314781.799 1836116.414 2803339.233 4769058.524 4155590.426 4380831.971 4217388.527 3596644.105 3607533.362 2000631.732 1914414.187 2119626.924 2219107.707 2121319.466 2040870.524
1,3-Dichloro-5-ethyl-5-methylhydantoin 225.7077713 262.0667623 224.586522 121.3071824 170.7059609 17.11105363 162.7135495 166.4106324 62.36807389 160.3598364 301.1018002 31.38061379 380.1146538 440.7159649 129.2513301 553.1636626 485.3277816 287.9363038 3666.225471 4408.418079 3696.38525 3449.982619 4458.932145 4247.0068
Anthemis glycoside B 520.7925254 243.070544 3632.55337 3573.065818 2738.573959 31.47198544 201.7407158 325.768594 145.640938 647.9073292 256.4619912 572.1844241 39380.01991 44086.7288 40619.33502 47892.74569 42481.87786 42799.468 48214.76507 39162.47827 44450.26882 39035.90572 45737.84523 45316.44033
5-[4-(4-Hydroxyphenyl)phenyl]benzene-1,3-diol 27377.61085 30339.77014 26278.44733 29632.09178 28903.25536 28248.72145 34577.46106 33272.28213 31745.32966 32405.59361 36247.80701 31414.13969 63510.86901 57444.63078 63939.11717 64851.23089 62819.89321 63057.65483 111668.2334 107882.4063 119359.5417 113300.864 102291.3082 118971.6558
Theasinensin C 9203.577376 10315.5793 11127.15466 11034.85666 12091.05096 11886.05242 2486.562458 38.65195905 457.3923068 1006.802454 1012.985521 298.5763986 58425.05621 61029.25554 66151.74651 64248.76735 65436.07092 59981.04181 9632.439479 4688.441426 9178.473659 8443.146464 7689.22788 9769.666615
Epigallocatechin 3,3',-di-O-gallate 155.6108349 194.9010786 131.081271 251.5400566 75.8890072 549.1586284 30.04905019 480.2798956 277.8653087 232.2871073 388.5430304 65.00861016 3453.185012 4204.474233 2787.031625 3842.842022 4040.022715 4423.316392 6607.918409 8896.005957 9074.536567 8319.839707 8222.429633 7684.249019
2'-Deoxyinosine 122147.7049 117230.1354 117628.9168 117006.8874 74548.00996 114023.3578 49141.57419 99172.18924 106986.4025 109735.1409 110689.5765 84774.66605 35920.23093 58870.76263 37020.80755 36426.40933 38468.50081 37556.92839 8150.403391 16720.69369 17164.6291 10454.69021 7361.575042 10887.46606
Erythorbic acid 7718.86798 8929.482679 7868.69939 9526.344022 7624.916807 8993.284178 8370.281803 8474.352076 3666.610338 8563.646406 8220.462504 8497.165714 8884.404007 4448.057667 5051.472196 4804.995801 3189.80056 3864.973687 4142.798281 6044.832536 2859.460403 6906.836597 3355.730492 4137.354176
Kandelin A-1 56120.90489 77680.5651 85220.77772 80310.70538 61300.95367 72450.4951 81276.79714 74523.23602 72602.20324 73186.28477 79351.53621 79211.80327 3605.340193 9267.913751 9888.390512 10195.70191 6468.574669 9124.013064 6355.765334 8374.463489 8873.291243 6763.288109 10651.30793 8864.016962
8-Hydroxy-2'-deoxyguanosine 10517.06848 8863.735637 9549.65132 8731.152913 7269.502452 9447.354395 13737.46763 14711.08034 14654.52946 12502.41621 12505.13582 13122.94991 3756.223395 3488.834153 1473.630283 3953.388622 3797.476272 4691.997106 1934.228299 2680.969671 2097.992712 2480.338836 2360.609144 2113.898574
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 321946.5369 276983.8888 314646.7059 469106.7434 290547.8397 446484.5816 311309.9719 331066.3862 312851.2335 449291.8096 487993.7355 450660.2949 203.813188 28527.70696 1003.138484 16257.05749 1096.398334 17840.24011 6062.397756 574.8966312 6262.255616 4596.492092 4744.608176 379.7273103
4,6-Dibromo-3-benzoyl-5-hydroxybenzofuran 80.2802151 1251.162027 217.7363198 6.971568626 56730.30806 624.0693419 2512.078264 1757.142572 4185.299186 3319.11191 3415.480124 6061.593467 1294.996243 222.8976702 1215.206002 1339.797102 1418.949004 1346.554159 10136.58179 9364.927271 9602.735617 9796.291081 10260.68674 10564.70889
Kuwanon L 19645.56995 15323.681 17539.6914 20292.83929 16887.01148 17139.03895 49033.78626 39564.60326 33918.86292 42070.88697 32497.96621 36348.98976 55373.32444 55754.27468 63497.96654 60927.81155 60478.60426 58067.10114 83293.48623 10006.81263 84004.79021 88209.04238 76897.32538 85434.45414
Beraprost sodium 1014.902908 1949.478269 1452.473484 1938.048646 1150.16464 1719.501216 1305.385266 1127.490362 2086.514852 2422.323743 1306.388677 1433.668525 9226.121213 9602.772222 9352.324193 10372.39897 10185.20087 9867.140723 16154.49741 14019.86544 17134.29899 18630.14911 18566.02834 16574.16946
(4'-Fluoro[1,1'-biphenyl]-2-YL)methanamine 132.9357438 259.2481124 200.8445678 158.8129318 136.8200072 267.4868201 676.9915964 335.1801428 826.5237716 1081.188316 1001.318642 405.1946549 7438.341503 6979.225688 6358.270358 7320.793994 7238.445758 6686.87577 3952.598891 2813.667237 3736.980105 3974.967109 3398.648671 3969.998325
2-Benzylsuccinic acid 1168.559627 417.1136276 978.1876556 779.3058283 483.3673679 657.2042907 4473.144338 5029.352467 4580.794396 4453.674825 4607.500646 4424.615282 25812.25171 24450.72026 25701.31672 24343.21569 25783.96012 24339.4023 6072.187109 7245.902176 6858.067356 7040.185542 6882.946036 7744.758598
(D-Pen2,D-Pen5)-Enkephalin 250.2787823 281.1817127 239.0859539 394.8268173 386.1903743 308.2555637 20.24308717 20.88833601 13.4798163 16.78377879 12.42260436 19.78998347 1.119434223 3.171716662 1.166075039 2.658642585 3.575434341 5.643794264 2.14557696 0.839571422 4.197853624 2.658662097 0.65300073 3.871355367
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol 67.30181009 24.62256607 358.985662 589.4279482 210.9088368 212.2595822 46.9725375 9804.446363 371.4848291 136.3715906 13030.29211 277.4117807 113410.3639 126690.5513 118368.1713 125358.0435 122228.8788 122079.8689 503149.5865 465351.7135 506735.2339 479873.1191 462795.4808 504782.003
2-(5-amino-1H-tetrazol-1-yl)acetohydrazide 19.15976232 180.7457391 202.862171 667.5584028 450.9059208 393.0284834 81.95237362 491.7073533 32.03251883 393.0759471 283.9490352 205.3765269 2078.216935 1673.194643 719.8355281 2234.85783 1329.274419 1460.840922 3853.91462 3346.18898 3824.83691 4708.119252 3449.107428 3543.021852
Ciceritol 94.6797174 173.6641691 39.68206375 71.51618753 45.79298541 154.8910253 427.5801441 400.9065116 362.9577171 345.0965054 355.1289284 185.0978827 1.265770652 21.26059177 36.5256302 10.24865687 3.712913178 3.670739909 28.35226725 13.61608929 26.14420347 9.993989479 31.13591443 16.27974524
cyanidin 3,3',5-tri-O-glucoside 8224.312264 7865.781897 9676.44224 7048.866842 12544.67067 4266.054164 8906.903028 6353.674186 1352.765994 9170.290864 4392.258253 9141.97254 50099.11282 58459.37783 54379.21615 61252.81176 54169.48709 53904.64855 41027.36866 42887.60948 27352.12944 46832.1564 23805.68074 34439.25804
Tomelukast 96.90999647 436.8256596 180.2976645 41.97085029 100.2521834 57.12588358 15.38912848 39.33072094 31.82731607 124.1328696 41.30445545 46.96455472 1895.762593 2861.286726 2710.805249 2951.273742 3339.149193 2644.396317 196.3279161 438.2402421 516.2362379 432.6445495 502.7135178 404.6653911
6,6'-Bieckol 6596.585974 7341.434408 5334.657174 5029.639221 5610.433832 8061.861018 8029.651718 10447.94262 22631.86414 19401.91103 10875.66823 13007.39645 6955.721181 1983.235777 7763.38323 2133.874014 7519.698189 8022.135455 2654.042495 6704.840449 2733.951827 12962.06875 8327.603069 13101.94284
GW 6471 22238.88977 19575.16225 20145.88726 21904.77257 21212.25315 20513.20861 17727.73368 18291.65397 19285.20143 19199.98563 17491.30841 19175.09627 70.68097929 145.2175933 585.3661002 917.889988 1539.84083 1213.461118 1932.471307 2203.964208 1537.894712 1247.357563 768.335478 2080.738427
Dinoseb 106795.0774 131019.6853 99875.35157 98397.98489 130967.2044 115411.4622 146094.0754 134730.9533 152349.0079 158429.3452 142296.6431 179302.0463 138274.1787 123581.8075 134814.7588 121054.2429 138673.0054 142927.5208 308812.4624 324373.7319 363672.4784 351256.6788 344720.4723 377481.4792
2-Furoic acid 2669.836037 2711.14558 340.0814854 2611.497681 3230.423374 2790.091691 8934.311493 11954.69335 6312.897761 14659.97249 10535.89154 10497.57369 11737.11978 13754.70557 12508.43224 11614.85872 11224.91855 11435.92739 16425.15654 15395.12262 15863.93975 17036.42979 13660.36861 17216.79928
Indole-3-acetamide 13439.3202 13469.25511 13207.0198 12368.79669 12422.26881 14027.8637 22005.4797 19769.78732 26203.43 23299.43726 22273.19003 21901.72745 9913.566069 7795.957552 8643.094156 8717.617269 7810.988856 8610.017768 1206.512452 1973.031723 50.00455496 1750.236156 1177.081409 2161.017756
Desmethylsertraline 546.4647391 524.5441352 543.7553408 398.1164743 297.0219663 421.2924262 592.4855137 464.9517687 941.4723494 716.4978109 994.978872 436.6761859 205.403807 104.9741838 457.7240158 150.2636878 107.023119 51.13256141 65.22931923 73.51917555 73.98695428 112.3794377 72.13273979 108.5731586
Acrivastine 455.9087424 60.80213463 14.43637675 46.2139912 44.91314319 36.58955734 102.0733942 44.78295239 68.04135168 15.73691435 84.14706396 26.66173505 20209.59147 19438.2161 18779.77191 19837.71096 18392.78962 19547.94768 1307.870683 1234.827361 1341.984807 1204.069442 1173.509753 1274.059153
Fostriecin 47188.45132 53952.6054 43875.03474 47511.49175 48899.70604 50875.96462 42570.83228 43310.08081 46288.05917 44139.18041 39439.71136 39340.34985 368.8959086 968.7206117 625.7179759 895.5312292 190.7803353 137.08797 89.96410479 1605.930966 72.54229634 953.6654408 30.55920783 40.21257303
F-Amidine (trifluoroacetate salt) 572.2922162 625.5441093 182.9893334 87.2673045 284.4171074 226.4982103 5660.014825 2980.179381 5614.937506 5107.911228 4915.02006 5030.301917 418.9659064 304.9992306 385.2402324 338.4808483 442.1518346 256.4873741 200.0383229 115.4571425 125.9299964 162.8650395 219.572454 156.5401394
2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 104555.0215 97876.70568 96953.12287 95545.09376 57850.86719 87859.48066 55723.16685 60513.72501 53346.09727 58085.63653 61473.52924 62172.156 56100.14629 49497.79666 52778.23511 51164.1027 52365.71393 54251.63751 61562.64366 59036.13878 68778.39316 61216.92993 60121.15145 63186.1347
alpha-Bag Cell Peptide (1-7) 284.1095403 253.4740817 392.4180265 95.669053 163.2172034 320.7365084 170.7539916 138.2850788 140.6034259 201.4466202 388.1244988 431.0021505 296.091021 1979.552165 296.6691415 102.239608 1131.498713 900.445244 1147.824504 2378.413969 1744.831598 3167.789004 327.8830136 2083.379965
Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin 5042.401787 3696.90967 7372.452127 3619.957675 4217.995694 4108.071832 7788.742285 10237.22719 7047.155458 6264.891137 9244.722033 6947.11207 27683.01075 102842.0663 27069.3852 108538.8456 114271.0556 109660.5865 2164.485707 3433.978915 3570.863967 2376.264176 2373.955417 1608.813239
Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin 33484.13598 38682.06954 4492.506891 4056.243862 12689.1073 26824.24879 286303.4032 409162.7808 276295.7647 284225.9216 299410.9852 253211.693 307803.8177 311807.8956 295243.7533 335923.0969 355679.6824 326399.7128 8041.53113 15116.73031 10453.76686 47996.92544 6308.334833 4327.988455
Myricatin 64360.76059 56769.49096 53308.17425 72935.36582 32838.83407 66170.41075 27004.08905 33442.37491 18502.0541 37417.54153 29632.32264 27359.8891 75464.18903 49150.5963 48105.07501 44231.20022 43826.26985 42379.60105 66733.59777 66588.5655 62969.43047 76314.99933 60140.33361 72551.26317
5-(1h-Pyrrolo[2,3-B]pyridin-3-Ylmethyl)-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine 70.87647638 122.7094222 574.1061715 141.243403 92.26153413 232.0854262 220.6739151 212.8325932 217.5178506 300.7158264 731.880729 101.4836797 5770.464669 3873.670647 9455.012615 5943.89463 5266.31153 4792.367778 6149.637451 5845.871686 5737.008756 5844.951484 5335.00713 6058.334219
Ivacaftor 6290.930573 5158.652166 5937.581483 6279.788806 3890.916075 6156.243921 3785.206681 5169.079352 5356.268796 5060.374359 5128.327373 4744.64313 83057.80621 76198.446 75008.77553 75681.23116 78448.78526 74416.62943 106368.6989 102733.6118 106720.5305 108820.1404 102682.8831 103382.451
Trametinib 29134.11497 28756.68507 26426.04602 29534.91767 27447.05077 27195.02093 30046.26093 28199.90288 30230.88924 30140.6753 26547.99926 26607.76931 310.5658765 116.4076186 930.4417821 169.1098077 542.9429349 52.26750907 92.66265549 555.68637 408.4397471 404.6760644 268.52918 221.8120685
Tyr-Asp 96137.10915 98073.96443 92777.16662 101499.9153 91812.80263 94885.33894 105937.9732 102890.6966 98250.09679 106689.4507 104283.5271 107589.8898 72363.29762 69843.67766 63048.4385 71487.11221 62767.83789 64536.49498 16376.82573 17248.09699 17948.9551 19374.13146 17138.45515 18622.75261
Albanol B 3901.111952 3829.122244 106.7348746 149.9575221 4186.892983 3413.015037 474.8180261 5619.659901 64.32511939 5880.571425 7672.901279 143.5883358 74539.93963 73756.33819 80459.32389 75576.88074 74169.85945 71303.41963 49890.867 42946.66262 48611.35936 51300.16292 46952.31312 49526.75614
Bis-5,5-nortrachelogenin 23736.55566 17423.93658 5659.901069 19543.34428 20098.23718 19647.42684 14576.62738 8774.837942 18847.91678 22123.16648 8252.113803 6021.21055 3090.199924 400.4848634 1509.189035 1010.083834 218.4448103 1264.513427 1610.126122 2228.844859 1073.674648 1074.224698 2193.450061 2521.780237
Idelalisib 2920.490673 3184.943631 2512.884854 3659.492342 2569.100245 3811.734843 976.8621759 1268.584997 269.4776243 1610.908619 264.0289345 2659.317652 948.0385651 712.8313971 576.2732153 761.4082681 899.243563 760.6537891 392.6795905 369.9488327 576.1831822 508.7003207 447.657295 549.5362952
L-Arabinose 38977.1345 41246.05937 40990.73436 40863.84772 41486.8636 38980.96448 41392.41342 40068.8939 40033.3049 40538.4342 42272.70882 39067.53887 96708.70387 96620.71038 103857.1789 97427.11276 99683.11122 96986.03378 81518.44449 81259.25255 80860.66825 82039.56895 78030.78049 84565.53608
1,2,3-Trihydroxybenzene 10599.88032 9406.340078 10668.91392 9897.007506 9921.993624 9948.486677 12868.44213 13758.02251 13760.58 13544.15458 12635.11678 13536.82497 110489.0311 108487.4086 110914.5696 142174.3532 112179.4661 110577.4878 23796.45315 22731.6192 23644.20304 23010.71855 22028.56964 23693.03335
Phthalide 1109.636706 810.2297024 750.1921612 666.7086128 873.3426191 1041.521285 1411.820335 1179.430389 862.086069 1608.692136 1482.00217 1608.368585 75059.26207 73894.6518 76184.35404 83336.83872 78886.07865 75192.90206 14002.01201 13341.12464 13202.27241 13589.30595 13566.19615 15308.80562
Isosorbide dinitrate 79.8169263 393.1571784 199.5231148 300.5527869 337.2073813 373.2148599 130.0172105 114.4771898 1100.051316 95.68238896 1138.98798 1595.191825 16863.52109 15576.0662 12544.93179 12223.52848 14815.61831 11923.84725 19352.71185 19435.71971 17079.77008 19489.87771 19643.16407 17351.34859
Homotropine 395.0940841 251.7679967 18.67471044 80.13102796 227.3202812 227.3200454 558.2003781 312.3763792 258.0480919 274.5166833 421.3665289 534.6008114 3994.675657 5302.395415 5456.636169 5197.133765 4989.59263 5595.828272 2148.732215 2892.006933 1990.197103 2949.394883 2614.441546 2198.34159
Diderroside 1851.123452 4194.118834 1587.003866 1044.071931 767.1582846 3460.712582 2083.373192 1027.763782 975.1013692 2115.542899 1472.403212 878.7395948 11678.24326 6699.655196 15499.15186 2024.927931 4918.449924 6147.504616 28672.19889 31417.18711 28040.08786 30548.34666 29487.66119 27119.21126
Sodium pantothenate 724.0164839 274.8612971 245.3101885 258.573237 406.7176033 61.543813 472.7956714 285.1981535 514.7811647 151.9758805 177.3049926 35.16788935 2155.241487 1627.62282 1878.517559 1954.010439 1261.20139 2030.915166 1352.683329 1261.46411 1429.792463 1911.528977 2351.715259 1271.543851
3,4-Di-O-galloylquinic acid 121780.9143 133630.5869 141756.4876 154044.8068 137136.3143 149454.3151 69763.97819 64135.65043 50141.14778 68831.55796 134659.8876 77218.44577 406.2299357 279.5869541 99.06235176 596.8008853 2890.827656 374.265403 991.5847487 5324.08586 148.0875411 155.3706947 76.47189364 926.9317517
Prodelphinidin B 333.6721386 114.7728662 277.9396621 100.6757508 201.2837487 156.6774422 300.2111804 301.7398463 478.5174196 275.2897951 314.6134834 323.8849623 1326.71347 636.1684311 1537.070083 507.1802606 1175.784721 484.519489 2478.331673 2399.429148 1672.025448 1854.396528 2142.956745 1855.27377
Artonin K 151947.9253 146995.984 114224.0602 137009.1568 141537.2694 110856.7664 43601.18333 44035.63068 43254.3331 41548.38832 30449.89207 36441.43792 163.4180771 10692.9797 10141.70493 218.0729522 10523.92187 116.5542276 77.6211629 61.27013728 5285.179935 84.28163885 167.0919222 30.76713572
3,3',5-Trihydroxybibenzyl 74016.19657 77148.11705 5933.087478 75878.1668 72498.05287 75106.08175 82259.72211 85394.21031 79804.28492 66826.33785 92694.11862 85380.58856 54726.74025 53976.72087 54524.83619 55889.99712 49875.41476 48596.24429 21652.23519 17386.39112 18233.12425 17680.54679 20289.38509 20092.55259
Imibenconazole 147195.7629 141489.2375 135860.1191 143304.7105 141094.6078 136763.9227 185419.9246 182706.8927 177245.5478 177322.7691 191054.7496 189050.5492 162.541872 121.3706171 243.9855775 340.6928558 503.7373157 202.4524483 182.5603316 1490.471342 100.1300677 1627.304341 1683.369066 57.66357743
Apigenin 7-(6''-malonylglucoside) 41223.73231 47157.48793 35255.74661 40981.59203 38165.75486 37267.31465 6039.55124 24771.63967 63522.81954 38362.39234 33953.95444 42158.52516 31780.33831 37349.10058 50979.73838 37420.29982 40089.96958 36963.60533 47273.8998 46098.45517 50093.98754 59447.33803 48962.68268 52155.58364
2-(2-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone 1111.471596 1442.191432 1766.8624 1526.896584 1383.138961 1470.199927 2224.795124 2200.130135 2191.083056 2101.686353 1961.711859 1987.369633 6.611291425 36.03304191 40.62150927 36.47713322 69.28666116 27.71151615 100.7806141 101.6357218 89.95941913 37.87500015 73.34598955 95.05777732
Dasatinib monohydrate 21354.33892 20881.50433 36796.14276 1959.992023 31913.77787 11242.28992 34040.44563 36259.69887 18173.59314 30336.85677 32082.65487 3379.325501 106.8895762 95.16547331 1135.322409 44.7944631 43.03449161 94.70813995 34.07589975 191.9072403 186.4451165 99.94180455 136.3715589 40.18564927
4-Desmethoxy-4-chloroomeprazole 4094.703638 4326.416677 4218.206352 3746.98896 3932.668921 3702.084952 1206.450079 1522.361069 2171.471657 1478.693887 335.6177303 903.4263029 3486.933803 4493.127541 3663.297739 3213.217709 4677.277409 3697.678095 3639.622697 4236.900268 4317.550766 4425.494539 4179.619956 3826.349805
HMB-Val-Ser-Leu-VE 671.579546 510.4000372 560.2175091 552.0080163 356.5893601 911.3477396 203.6306134 256.1029751 98.04935936 199.6261094 182.3375754 209.3278967 8373.848234 8482.694626 10472.9394 10848.30518 10429.74923 9315.129435 21495.74918 16009.20944 20772.61761 16297.9548 16715.57369 22767.90853
1-Naphthoic acid 146131.5217 151880.1621 99964.19409 162860.5877 148282.3687 126581.0394 162752.8333 167591.6677 165803.9294 164085.0399 181578.8641 172000.497 298477.135 294544.408 298299.3613 280413.9535 304673.1203 93577.05295 27598.90593 22559.78014 31589.56437 30789.47762 27602.28488 25647.7846
Inosine diphosphate 24098.0089 24277.74101 23263.69448 22637.40815 23200.50402 21808.23686 16441.76681 16357.92604 18252.75641 16509.44027 14687.15306 17028.22382 469.3474559 483.7737339 24.72573568 527.9770968 31.21924159 342.2067499 3145.877633 4103.879616 2854.671617 3740.046214 5081.003466 3361.302784
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol 1108218.107 1041561.447 968218.8056 1003947.945 964761.5652 887436.8742 874892.914 859137.6859 855239.3102 838205.7961 821255.5815 868698.3251 201570.9054 203138.0214 183064.8305 201399.6811 206149.5581 198928.75 72354.56147 65966.81808 67233.85743 67570.02883 69552.09858 71882.29007
Lenvatinib mesylate 2193.776991 766.9358684 1214.645228 252.0942522 215.8794224 127.055423 870.7554282 1571.074894 543.553206 739.8460952 1015.613453 258.2011279 3126.682883 1254.93747 3225.191595 1525.908423 1049.984799 2087.340352 50678.86956 52536.43363 58021.62082 50329.166 53140.63548 55171.32608
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 9695.330576 11414.43469 16160.63473 8077.16404 9777.956718 3871.934847 1196.316698 4006.368979 4935.972911 5442.161314 4528.436992 5598.412028 13338.60344 12642.11147 9846.446591 9034.264738 21574.09553 9275.112016 2848.212498 3617.252027 2012.529005 2459.732273 2238.344068 2585.307403
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((methylthio)methyl)- 2917.708723 3179.104513 2831.726936 2714.079781 3106.892244 2844.454964 1520.958528 1318.330131 1433.871547 2099.4699 1965.155511 1224.372334 1442.397316 1918.26187 1895.483638 1443.667219 1675.531333 1602.293153 761.136372 1079.662668 1315.348446 870.0098035 983.2932083 1290.163935
Temozolomide 2331.619781 1641.333485 2012.33567 2042.12224 1821.263392 1441.970932 1553.211624 1640.204594 1551.307974 1530.706932 1210.877817 652.0397687 3929.45863 4290.295854 3709.434223 3541.461783 4520.68258 3705.456913 20967.83368 22041.52435 22501.33666 23133.06923 22246.33403 23414.93253
(+)-Ostodin 311.9811869 385.5872119 95.52169975 154.6879602 175.6876101 9.201986337 164.9847539 258.3348843 721.0938619 17.25378314 25.01781064 317.1423528 671.3124281 1440.622722 1658.920499 478.3570815 1137.594503 574.5496433 1791.893916 1959.948697 2245.077276 2388.128287 1765.543054 2510.223974
Poly(galactosylglycerol phosphate) 22429.78906 27584.32795 17003.1527 24926.82125 18465.21344 15749.90257 23467.54557 22510.63569 13536.89639 17660.78931 25737.89266 17693.24974 22113.49887 23557.82199 24481.20399 25213.6535 22194.44762 24458.63406 13975.71362 12626.21994 13777.7132 13662.0674 11407.67788 14966.51547
Ajicef 39534.98405 48321.719 46008.93348 36808.04533 27721.70763 42153.3165 44467.44758 47758.49182 47287.4476 49031.09342 49554.23241 47463.14848 4239.657917 7631.782212 4858.527505 3249.363892 5655.831825 3548.896427 3472.630371 1436.97759 7442.336563 2265.33998 3239.457979 9534.159231
3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione 2207.357156 1683.194953 2370.290996 2012.605341 1880.183557 556.9904675 1967.353562 3513.976715 1100.150216 4461.004219 567.2424775 3654.621741 2080.107466 1673.739531 1940.356632 1252.519405 1786.272039 2059.472251 1125.562303 1322.955889 1783.076241 976.308384 662.7677844 1002.952877
3-O-alpha-D-Glucopyranuronosyl-D-xylose 1259721.263 1200304.431 1119387.803 372934.163 1118370.598 1292910.442 1434672.01 1381586.107 2892811.127 1266821.332 1222452.191 1441866.409 225108.49 269600.2797 278194.9833 492107.2719 279455.2515 359569.4024 247882.5864 238335.2779 236474.2671 220375.0847 252041.4545 209115.2949
5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol 6651.806471 5605.648166 5524.408296 3974.720401 5479.33533 5766.889202 763.1159092 1920.213611 1003.928776 1993.362646 1719.118421 1039.117641 359.639787 150.1126673 131.5830875 503.6982475 351.9955951 94.95696628 255.3076888 272.6346427 43.98138684 91.56763353 372.9610532 117.8851175
(Z)-7-[(2E,5S)-5-Hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid 420.1834143 347.4906032 39.92572832 399.8082171 62.22910248 302.758414 540.965419 331.5210554 110.6898269 570.6631183 298.4764149 496.7285563 13935.01502 11127.70321 11674.75562 11948.79049 12731.02861 12607.17776 18472.6278 16279.88712 17305.11177 18129.61117 17508.1144 22372.58693
(1R,14R)-14-(ethylsulfanyl)-1-fluoro-17-hydroxy-2,15-dimethyl-14-(methylsulfanyl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one 955.1901035 804.9275762 512.0651964 802.9963397 771.5509803 1319.690685 2961.781233 2951.626915 2522.278974 2650.873048 3371.015602 3096.370112 109.1489201 241.0502564 516.3422372 234.854523 336.8640591 267.8586453 260.5618261 279.1212801 208.886582 146.7702606 95.96949741 184.2617398
1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide 79.73812197 54.29224426 1583.850981 189.3337326 132.9625182 616.9072236 67.47088796 193.3948154 47.62892426 298.4254676 94.56247926 292.6041911 1592.719088 3110.804746 2810.248586 1558.466499 3540.625889 2291.954756 4942.471668 3547.055876 5323.681121 4476.888786 4436.666363 2903.282649
cinchonain Ib 33072.6899 37453.36792 33713.69165 18562.60361 5735.271272 32482.64795 50286.23829 35095.22373 12676.4675 27059.98912 41489.7342 36495.26626 4684.317464 4744.375477 2338.36145 3655.77284 5129.665587 4590.354179 512.4649444 511.4924363 1679.059582 2180.166987 1482.76998 922.5898438
Guanosine-5'-monophosphate 1170.657099 1696.306049 3972.817825 2637.62933 4711.296739 8915.579823 147.7229938 2489.588984 1112.421229 1417.59318 1302.358606 1583.452843 50288.76472 49669.0527 51281.11138 50915.89451 55641.91889 48931.01622 25498.80034 21884.46735 25366.65313 25457.14839 22459.37528 27223.23643
Clomeprop 5288.201592 5566.357697 5047.718111 4284.328007 5475.407955 5515.442236 12217.15648 10554.36273 11282.75375 9594.124437 10501.62207 10961.48291 2818.430672 3743.817347 4102.690108 3863.817644 4102.211577 4499.264128 8506.634023 8084.850556 8936.854104 6816.374118 8490.53597 6081.373618
Flumipropyn 3148.44572 4211.742013 4859.774416 2815.178087 3554.146024 3646.263699 3436.77852 3733.069245 2326.837488 3351.855847 2426.776825 3533.302185 442.9305223 346.1207223 459.5644947 399.8141332 719.705324 428.8926932 271.184886 269.4345098 121.467536 147.8154662 432.4616855 290.0827015
N-(2-aminoethyl)isoquinoline-5-sulfonamide 2022.082878 2083.314643 1028.691353 678.508615 1333.376501 969.5779307 1323.599566 1293.696723 1163.075094 804.5986236 1207.471478 1375.247693 6212.659509 5710.092267 3856.804731 5323.004783 4806.155232 5719.412011 2703.331609 3195.43762 3542.18737 1889.736302 4080.113126 2762.333018
2-[3-[(4-Fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid 205511.5777 199409.9574 220106.6934 199136.4018 182727.4551 187935.2909 225202.4595 235542.8074 181158.1674 180040.5509 231580.6318 239012.6822 441025.4669 1065097.49 440401.343 468006.6098 453718.97 1059884.524 267956.485 257326.3631 282385.2237 270905.5231 260102.7801 276582.9426
3'',4''-Diacetylcosmosiin 1214.547921 2458.035999 5479.619539 1103.058599 5885.362738 7569.191235 9222.411555 5265.391105 1654.286925 5770.560328 4247.632464 4069.501821 69.92658916 459.2678077 686.5868905 490.4858177 582.0054445 489.7660937 293.3027565 280.4862177 119.8881346 73.27025924 260.0316538 277.9851786
(2,4-Dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone 183.5595383 416.570485 567.8090993 357.9167723 306.4444108 160.4046107 642.7926477 447.5592858 147.2353746 708.5341567 764.5620449 451.9661301 37469.3445 23032.99809 16216.07975 21226.69102 14772.79544 16264.97699 45877.43142 46707.46685 33558.92404 48473.9865 56095.66402 50298.57281
Albafuran A 11751.42921 15996.58682 12178.4788 11852.43737 11670.80812 11579.37387 18681.5623 14156.36684 13943.63288 14704.39506 15431.82608 14542.26519 90.61530676 211.5509306 221.4679961 161.2373095 245.5105806 47.29640557 68.07784037 252.9632886 355.0446902 21.9283072 16.33871467 504.1179943
2-[(6S,6aR,10aR)-1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol 5312.384914 5788.418429 5636.813347 6295.441422 6075.779636 5833.815603 3300.719178 6964.672725 3283.821535 3342.050065 4869.911596 3426.711068 78.21312653 71.84364173 27.70828847 101.6302128 148.4368685 81.14564026 9.302059415 8.312482642 13.26043357 98.56223032 41.56242811 287.2154578
Enoxacin Sesquihydrate 31259.77018 28719.13428 26782.97436 27745.94643 31605.69814 26237.38049 12157.86314 10643.53245 11231.89577 11070.47824 11399.89818 11586.86909 26049.23493 17790.24094 17799.79774 14170.26854 20433.36037 19569.97876 20096.60679 13310.76719 23633.23073 14205.47735 28200.4751 28669.13252
Raclopride 95695.89206 100969.6169 100039.8737 75865.03074 71214.69997 100937.565 84887.95182 83366.00433 84957.80484 86618.7237 92338.15614 85191.49306 40123.27043 50506.99414 42448.98819 35399.60904 36999.82194 37454.93847 21090.67194 20056.41762 2972.70433 30021.26391 20699.47015 22390.07513
Gerberinol 15094.89025 17139.87419 1334.190426 18454.97543 15467.5959 18631.24704 28808.85478 32387.17376 25174.10185 28966.65643 32818.35638 29742.12879 521268.5221 441073.5308 560765.4053 463078.2075 447211.6512 443652.0585 552112.6126 523238.8926 529194.1605 553167.4273 498935.459 598341.9703
2-(Morpholin-4-yl)ethyl 2,4-dihydroxybenzoate 2314.308516 2662.278145 2944.245172 1746.437386 2678.381592 2801.981658 2589.133828 2182.188018 2690.242108 1525.918404 3682.832754 2382.327126 14963.79147 15379.33756 16770.46391 16682.3989 16670.32905 16062.79387 8742.507947 8846.29432 10139.84193 9484.706274 9778.032279 10657.91704
Enobosarm 6252.713584 9699.301306 9695.517692 7820.803778 6939.722041 131.8338371 7669.578836 6948.629952 6086.108352 6759.659323 6243.115103 6745.681353 111284.238 117276.3484 116436.7825 115580.124 111533.1663 112339.7673 275504.6731 281670.1149 275231.2849 271886.2121 286316.2353 285252.1728
(4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate 3927.444451 4542.116131 4535.981487 5103.873788 4231.780073 4008.367235 4680.130359 4234.751939 5360.700721 4797.695354 4899.217256 4485.455138 3367.85752 3005.030152 2353.36595 3394.723361 3067.637369 3630.778156 2335.89048 1925.594358 2368.86497 3893.672682 2528.258625 3546.640196
Menadiol diphosphate 3626.46307 3803.349667 4308.389365 4454.867513 4038.928336 3527.243368 3614.116109 4349.098803 4511.617444 4215.675765 3571.421515 4678.944585 3380.173495 2424.365745 2303.690149 2670.525318 2537.469612 2838.872384 2906.963912 3363.452758 2548.465761 3483.044249 2975.269812 2467.940098
Trimeprazine 256.2246237 607342.4836 377.7186167 597322.133 563414.3201 11928.06309 3024.490479 2414.0599 1201.432866 4137.386252 3664.385401 4671.124361 26329.6894 31569.60764 27504.67224 26003.31388 28213.71361 31756.95267 60690.09026 26087.07884 62674.42348 38245.85436 52662.77822 40221.51233
4-Methoxy-1-naphthol 21374.28962 20971.40312 21839.86904 20324.7966 19473.08764 20134.83669 2192.828219 819.5838067 1944.285 1823.403466 2403.374811 2175.454491 56.93122724 352.1281097 385.0019849 22.89978468 353.2811736 31.48732405 160.4520273 6.042991057 41.98310635 25.6827252 77.46508418 15.98212696
Bis(2-hydroxyethyl) phthalate 936.1585894 445.2335006 471.4702041 915.1404085 574.0450187 367.221406 37.62482792 627.2650532 123.8636532 265.8230624 553.0935734 152.52281 10354.59535 11641.53491 11927.82252 9569.748189 13152.26209 9760.154092 6093.334748 5558.323169 3846.515443 5567.028554 4492.308198 4028.244121
Cytidine 3'-monophosphate 119189.1087 140381.9567 122472.044 122660.7293 130752.7338 116843.6045 141700.4189 140387.6724 131731.1348 136002.6874 146518.84 138380.9 16670.32743 16260.09206 13694.63699 17400.40697 14866.364 15095.74545 8326.904394 7412.088754 8056.808307 8500.555347 8022.732103 7973.441048
Rutaecarpine 29615.51892 30479.1873 30593.17975 29326.77736 29307.07405 29493.30117 19449.21632 19300.95128 20988.56369 20698.22769 18806.26762 19073.65658 23176.59273 22528.25499 23632.66023 21582.34536 21376.31353 22028.0751 49894.7561 53967.90135 52457.32236 53221.01222 55751.15008 50069.4587
3'-Aenylic Acid 31267.18557 31834.15086 28066.14199 32165.83309 30701.74886 31087.17578 18377.02155 13390.60325 28967.26421 17976.40543 28852.33161 1869.859729 159812.1917 160059.5899 153843.5581 165335.2418 157790.5907 163668.8328 519587.8119 516151.3636 531954.0036 529495.9374 506392.029 554302.9524
Dienestrol diacetate 17955.575 17018.17958 18741.31282 16483.88829 12876.79693 16574.52061 13566.86773 16136.9723 20681.68498 15785.51925 14932.11387 15692.35155 765.3444854 799.2252739 564.2580569 620.6135649 638.2316656 735.7695795 20.09272937 20.76563505 8.495046236 22.96808989 313.4961064 450.5913494
Mometasone furoate 12934.13244 16971.80011 12816.4794 13779.75717 16014.16898 14137.92267 29928.95237 26804.78056 31481.32034 30940.26523 27694.84512 29977.51803 20.90875078 969.6294334 1112.155048 8.960900325 3.733699748 7.716315582 55.25899294 17.92170037 112.757967 58.74378455 20.90876035 19.62680482
Prunus inhibitor b 28417.19854 13935.9576 22101.76008 23205.97139 20976.05108 24120.3864 22151.42194 25092.8173 18818.36153 20696.09048 21134.71214 21402.99738 127710.4332 104638.2866 113130.518 131778.081 105850.7369 124100.5206 36324.62901 42399.93104 43690.79911 43334.36009 43917.10013 45883.07396
7-chloro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one 971.3223902 603.7202167 3497.724857 2840.228102 901.0703598 1545.263017 1648.432668 1176.614986 1378.337497 2344.633661 2582.770492 2970.261705 2478.801635 541.1585941 2315.279458 1183.323908 2435.934391 2663.918067 2205.210062 1707.552259 1267.010452 1721.40236 949.7172171 2120.609519
Daphneticin 249.2830128 522.7307732 2825.912986 1755.753729 1075.852001 326.1370793 1515.786037 374.0329065 107.2562187 181.6334358 1659.33511 225.3297624 54877.86746 46910.03057 39254.66928 45897.00205 54375.34817 57110.81987 38781.51596 29975.6369 39629.9233 37469.18995 36385.62997 35796.45956
4-Methoxyglucobrassicin 148951.0553 144057.8571 142751.9498 139420.8642 132190.9779 129030.2664 134472.4909 131979.9815 142441.6172 146955.6719 139769.6112 123772.4959 3203.613516 5550.295882 5051.702164 4427.459786 3277.693278 3112.166819 1578.618671 3067.406944 2508.335649 1478.414255 3238.792829 2679.402759
1,3,7,8-Tetramethylxanthine 3674.621986 1122.560285 3131.40892 2942.060803 61.71617394 2511.982421 3195.746843 2336.854057 7572.359088 10245.96592 2766.575187 4246.931287 166794.6659 163266.9329 167019.5942 206377.1501 200817.8083 139552.4944 187640.3083 120244.8997 184311.952 127832.8609 117462.4866 134981.1073
Teflubenzuron 105.4808498 2382.716114 109.4356685 34.21012118 36.78497888 3095.60218 3994.109559 1626.547712 336.3974545 4183.982989 2600.059818 2000.467407 55468.27511 51024.97598 42288.28157 44500.12408 40006.74827 38667.58462 17129.70429 18424.05693 19432.1134 17893.44096 19031.21136 492.7392628
Sultamicillin tosylate 17029.50758 16165.3734 17821.96247 17711.31432 19358.37686 17638.37931 28779.14127 28435.40037 26770.77571 27314.7318 27566.97389 29418.49204 573.7180073 90.8235289 399.6664143 65.43210432 113.9362494 22.78729585 96.68354716 334.9747728 123.0950784 13.34684377 97.65994122 72.91943204
Epigallocatechin 3-O-(3-O-methyl)gallate 225679.7383 159950.099 170943.5211 181069.0208 162075.6489 160089.5913 106189.6511 123200.2571 114067.5401 110561.8206 103333.0648 93503.04489 5057.066071 4912.512678 2830.947793 5140.053401 9526.196528 4894.403599 1655.894923 2831.447754 303.2497765 5035.477591 3714.211173 1833.837806
Tricin 7-diglucuronoside 11663.43004 14627.32318 11590.96806 13021.90117 11313.7067 13728.41642 32491.43444 22462.89374 33922.71998 29162.28763 75257.0301 34853.66541 10155.17392 8131.355474 6468.262129 5735.8688 6185.102725 5327.905811 5333.790544 5424.902716 6803.346187 5830.91498 6479.829539 7152.688208
Indole-3-propionic acid 851293.8977 851842.1047 820221.8096 837787.8325 790229.6533 822023.5815 907101.0627 919977.3364 897579.0465 911662.1501 957782.5041 909631.6343 677680.0063 1910.341501 1293.10315 721711.9964 672639.197 1956.23205 472826.2796 466546.3898 492873.4226 511020.8816 523604.9907 485989.6994
3-Cresotinic acid 779.5545607 400.7132188 1186.070915 548.907077 583.7840364 411.9663252 369.3314656 543.297335 829.5565717 198.94613 237.4238345 145.9775121 26548.88887 27797.78245 25134.24703 27874.64862 28114.75851 27468.33923 8180.25935 7998.817172 8383.171895 8157.025747 8216.705309 8859.639199
2,4,6-Trihydroxybenzoic acid 302027.9014 330889.2571 305301.3202 313928.6963 287942.5427 294428.3765 163811.1388 166061.7192 178421.189 161087.1365 178302.8354 167235.652 24919.61819 25363.05796 24285.96659 25458.38515 23895.19261 25045.76589 9447.038095 6961.974206 10170.3146 10677.98738 10224.16428 9573.730476
Pindone 21367.85491 21733.1444 21554.64027 20548.83212 19973.20033 19836.7109 12318.53211 11091.92924 11166.94628 11730.19053 10746.29955 10643.88004 306.8891688 273.8729157 259.7996027 307.6472778 324.9661481 376.4948281 160.5332844 182.9442884 142.8891864 171.0062128 489.6394443 47.44678642
(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate 15803.35283 16863.07705 38062.96087 35916.09219 24517.94278 79593.53704 46414.30523 84312.74543 55367.78093 72357.30349 61841.39044 76030.15428 29429.21314 26938.91599 29460.41147 31416.19168 29812.41456 32062.64238 17286.489 15710.04987 19156.81552 16681.66492 17923.06702 20559.93159
Echinacoside 21828.34171 30285.85931 23581.60473 23532.39347 22817.00342 19420.88162 11362.73289 12671.63255 12217.28727 12572.83567 15971.87379 17531.0349 54809.34309 56782.3003 57830.20482 70579.51577 58914.49471 62975.69096 57430.10851 50321.1056 60937.54075 55537.38035 54852.07423 58722.58769
Benzofenap 146008.792 127430.8565 124785.0321 158110.9871 142675.0668 143839.8328 122054.9856 140264.806 132289.786 131082.2117 139047.0025 131351.3866 209305.334 305709.4728 169565.7824 209517.074 260572.0563 175165.0064 80021.36292 73173.92793 76367.858 59336.37895 81687.1245 107050.1841
28-Homobrassinolide 48188.53748 47955.47086 49908.99168 49636.80669 49095.11865 49680.89457 49487.91406 46479.64065 52202.5652 47720.24967 49079.13702 46298.98784 49968.31965 50639.43417 50500.87991 48894.49857 52037.08326 49343.83641 52798.19107 55161.19952 54511.19733 57397.51293 52846.02053 54816.54586
Trimethylsilyl nonanoate 14078.9386 12144.36308 8131.433175 16828.35626 12474.17594 7865.526536 19080.01638 14958.37106 20473.94064 16027.52056 26676.4314 15668.65438 63199.13614 56343.85036 52544.12045 54077.08854 66862.90235 57926.47348 37493.66329 53434.66316 54792.51441 53327.10291 44077.09038 59980.08714
Furan-2,5-dicarbaldehyde 19942.05532 15501.16842 14903.64062 26237.10273 15921.4195 22607.91647 14044.18645 12041.88945 14100.04335 22772.06237 14591.31771 22305.26095 1118.977118 1259.076892 1071.37415 1419.464987 1809.145132 1315.681066 473.4174104 267.6891708 526.6604867 531.9643186 193.910888 352.9504929
Methyl 10-acetyloxy-3,4-dihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate 35111.27051 39067.09356 6146.60913 476.9614107 39149.96579 37447.55386 35945.56247 35555.82091 36106.26304 32533.04489 27978.01249 32953.75073 45765.05885 48443.44839 48089.65746 43442.8076 45982.78183 39427.1111 39596.37997 77897.4171 78410.62125 40906.27476 41536.27908 37983.38615
Tetracenomycin A2 5515.495609 24676.62599 1927.592428 2451.515303 5149.644344 4096.357374 129080.4683 107465.2116 122929.0616 124025.9463 109042.3199 139136.4691 510998.7926 504642.2966 498034.8712 168342.9031 464300.2736 387774.5512 715745.3687 849166.3361 443354.9574 689137.977 726526.1867 738435.5782
Lumefantrine 9329.165128 9193.52097 21117.99777 8747.206437 8436.187888 9509.816676 9925.669007 10715.44713 10075.30887 25120.84738 10408.90627 24979.0564 222.3001416 317.5697426 637.4564302 158.8828723 220.7641374 157.6342043 2113.948785 2255.080499 2259.061742 2388.761379 2122.285164 2366.468999
Epalrestat 564.9673914 66.61091174 184.2353193 216.4098113 134.3885634 150.8381004 72.36552155 74.61649777 160.1067023 186.5295061 57.69456559 168.7678535 2291.39174 1111.727276 1417.329752 1602.740876 1968.264709 358.2786886 79.61255694 124.8983653 55.59981328 101.8518569 55.5997151 186.3954645
Amflutizole 4248.845617 3375.165032 3822.675767 3520.905215 4115.020068 3292.047357 3709.51456 3561.918199 3117.812995 3533.350476 3434.009095 3849.73493 37.4634169 340.4364831 199.9194445 241.1561826 55.13951485 492.0531278 86.79827635 52.76537121 304.9114464 550.9126396 142.2009407 112.7858721
Ephedrannin A 334088.0739 324295.061 328952.8142 326587.8172 203362.9906 318943.603 204070.2546 316403.2001 213109.5882 210058.7173 195447.4344 192536.0274 8477.757533 4358.445666 4172.309429 531.5577383 19742.82056 12403.17391 13895.62601 11670.74994 292.1038915 14680.95574 12755.49702 14120.96528
Buclizine 3550.445501 3188.143859 3183.340415 3204.534145 3321.529692 3489.001433 2851.45992 2623.628697 2962.626278 2911.493473 3160.074298 3163.950809 11.6419738 50.53309108 299.920411 313.5578188 246.0305098 301.2375172 76.94139354 160.4574729 171.8313598 94.42086704 272.3552034 208.1661768
8-Anilino-1-naphthalenesulfonic acid 44197.78179 41649.89658 38080.88192 43186.82296 37602.24689 41431.72796 38245.3773 39757.34974 32386.33806 39591.74999 42405.55269 40529.8248 7265.939306 7578.097984 7328.944821 7577.264077 7302.812053 6711.105559 11060.1375 10034.92256 9162.775269 11937.05859 10091.21992 11374.83476
Rottlerin 503.7917595 586.0329201 181.0355758 538.3173251 222.6718857 726.4622342 6914.896327 2501.98377 5590.37206 3530.13543 5362.992296 1670.512795 18775.56765 15784.94836 20933.82877 15055.97714 18278.15067 15734.09626 31726.47143 33965.58683 31822.27624 42674.37227 27973.19127 36769.31924
Lancerin 103195.6562 105277.8555 106282.8497 103044.9049 92155.09125 100313.2635 54942.97175 75283.77218 68502.81434 50537.01694 55912.222 53087.33816 700246.9551 782479.8947 691433.0225 780124.5967 721844.3347 780662.2279 257060.2826 241761.9716 279801.4064 258032.7142 272943.0884 280302.9174
2-Methyl-3-(pyrimidin-2-YL)propanoic acid 55538.7412 56740.36845 59939.85106 55588.95511 60306.61705 59738.64656 47675.9018 48551.23592 48862.75002 46132.37901 48654.03637 46783.77031 80973.08147 83558.77497 84083.88236 79804.75101 77487.86785 76833.0033 97834.95547 100666.4683 101713.5347 100219.7767 103508.9581 98065.83301
Melitin 9220.048774 11579.53787 11004.39389 10561.92933 9699.318328 9312.761989 11515.65393 11670.40548 10899.42244 11021.66966 9848.871224 8292.165343 2679.609064 1056.361237 10.33403551 650.4226872 12.00978565 51.39103099 975.4798268 792.8441911 938.365586 1957.380416 1042.533993 669.8565131
Clomazone 232844.6824 277537.2018 295246.9608 291523.8529 277789.1522 260978.2788 574101.0115 535681.7103 521238.0616 517435.9102 557919.0887 599992.6214 326.2627777 127.7758451 38.53961814 41.51660992 20338.11083 12.40541467 16343.02498 8.435645201 5.954576697 2.977300708 14.88649014 23.81855202
3'-N-Acetylneuraminyl-N-acetyllactosamine sodium salt 23022.20439 55450.42686 12308.50496 27605.0533 16988.81138 37289.45796 16665.01234 19059.96233 21081.52496 27646.38871 21905.68668 18705.08388 456.8845761 740.5418103 733.0438446 791.7142569 683.6346488 243.9550655 1391.951744 1184.044712 1550.34806 935.6790681 1247.283504 843.3357767
Ketoleucine 18747.38485 19289.18586 17879.35648 17878.84065 17469.37716 18216.28924 5620.341242 5304.709179 4711.992572 5152.265446 5577.789517 5321.014707 294992.5875 298899.6692 288950.6957 298525.8707 284536.1828 330872.1963 190284.3852 188565.1128 204718.3586 193368.9288 189665.4386 188687.2605
1,2,4,5,7-Pentathiocane 1053.909098 162675.5203 156637.0251 530.4414084 166.2160365 427.1475771 7486.227069 7469.143525 9361.610388 7142.126289 8489.187543 6947.031699 1773.144187 1427.304346 1025.631342 2357.440228 3102.790483 3799.180562 20994.4687 17092.78629 19404.76091 18905.28913 16877.54197 21921.27867
Sedoheptulose 1,7-bisphosphate 16111.17755 14896.25298 12469.20877 16630.38993 13648.33084 14681.35077 14989.76645 15446.41034 13951.52224 14958.90745 15818.65191 14211.21641 7955.488604 3703.521792 3278.379641 3310.008512 2179.312245 3409.729488 2901.63322 2193.701638 3073.420208 2341.179242 3237.473554 2798.916013
Dihydroartemisinin 522.039712 674.8124378 894.3782641 242.8572434 366.4402882 441.7474536 478.6602748 354.9749194 437.0176348 469.3571169 528.0273743 292.9158851 3306.406852 3768.587653 6469.563223 3096.248283 4479.361397 3571.731258 8582.725043 5105.991593 4785.919696 3487.253229 4031.037148 3666.438814
6,8-Di-C-glucopyranosylnaringenin 11147.27586 11900.91334 10858.65187 12506.07759 10539.59554 11604.23144 10129.94702 8814.186663 10144.47106 10268.85008 9649.465617 10534.39709 104.0469235 354.6617722 67.93014387 58.86259393 292.6235606 822.9671653 98.36039452 244.6057386 21.51630285 220.8825753 293.6984974 195.1832219
Fluroxypyr-meptyl 2737.673235 440.3643017 26799.6616 21469.30363 5487.514609 23380.17781 771.9500425 2278.558803 1064.61271 1006.959316 157.8826903 1341.458806 53537.81381 61547.38386 59356.88127 52290.35884 49560.12332 55676.09614 28461.95612 20230.46983 28884.25674 27601.78489 23711.4669 26932.97088
Acetylvalerenolic acid 1318.193728 1364.383639 1275.801342 1451.234997 1540.236026 1393.311248 401.1439474 761.8647601 568.8609049 690.6729269 913.0585952 467.0146397 2406.110111 1972.22795 2112.286552 2233.822679 2103.810544 1887.748798 82.67354465 134.7015975 215.4034277 107.9852616 62.92961204 164.6905647
Imazaquin 6.446997284 29.09011502 64.82161463 39.572992 71.76488425 13.64164208 88.6149542 93.70740487 61.40093712 72.42688164 7.131779001 79.82598889 553.931943 525.379408 529.3621784 591.3771667 435.4771055 460.6893159 117.3425061 94.76349995 41.50246765 105.6468094 134.9604332 93.66208554
Patellamide C 6094.543263 6590.736889 6845.475688 5733.766377 4797.807113 5907.04272 5176.349808 4446.530719 3227.226948 3523.50031 250.5793736 3109.284536 36451.26029 31458.9618 35284.54009 30660.60074 26960.13529 28712.13057 115998.7068 112327.0354 119241.4573 121593.8395 108598.4018 36817.39994
Cisapride 5394.407652 5352.99548 4390.215957 4452.963013 3514.557514 2251.475532 1814.40307 2104.179598 1692.982744 1803.14488 2003.518033 1654.467765 10.13138608 21.87095274 21.70995687 514.175965 27.24404177 301.8945086 3.23523982 287.430431 54.14747412 37.79160635 178.1717086 111.2049699
Pravastatin 1071.611712 493.3356295 802.0810675 314.0301053 799.3671336 813.2062525 931.976726 444.4454408 818.1134717 1163.425511 908.1404633 562.5146681 17944.56218 18935.12193 17837.12626 18063.00002 18270.30884 18709.37119 28472.29555 26352.7338 32292.54698 28595.04084 27856.15196 28575.56586
Gossypetin 8-glucuronide 3-sulfate 1160.020842 1406.085951 824.0670223 826.6840883 1284.08684 156.0581283 565.3343686 596.2150858 713.6204461 997.63751 1311.61731 2135.438947 6131.382753 9771.023702 8010.146823 5494.126004 9318.082445 8282.592232 14031.34711 16197.98841 13705.6135 15356.82197 14771.58154 15036.97973
gamma-Tomatine 64.63975966 121.9583998 95.69014202 64.53645342 54.76298537 14.90572141 177.4441425 20.58929827 89.93171838 233.3352297 23.95396456 6.241176215 2179.071117 2111.265518 2770.090239 3674.496936 4715.448637 4808.069879 3083.200978 1960.521245 2870.339225 2512.526497 1911.823138 2395.881361
Phenolphthalin 3488.314272 4629.251028 3685.378352 4088.00389 216.8897312 3954.546481 1187.321955 6648.675721 5722.397735 5962.849154 7847.473648 1655.615624 1763.434447 1074.612864 1253.499307 1309.470858 1367.866677 1249.656887 180.8897108 212.2579823 234.9635923 178.0714972 179.1758792 219.3717414
Red Violet 2RN Acid Anthraquinone 33440.91894 35620.94497 37156.13168 33852.22871 36695.05741 32593.1113 40413.39245 39128.00491 36775.84847 45380.13468 43432.01005 42617.26012 67906.00807 64840.00258 63001.67928 65170.61523 62729.856 60025.62678 31120.60637 28205.82097 31585.81254 30537.4926 30101.29138 32073.13693
1,4-Diamino-2,3-dichloroanthraquinone 438.1803024 250.9902359 607.175698 823.4102368 781.4866587 825.3195222 1150.050592 1039.812753 806.3364653 793.2195677 586.5370547 793.5358826 11305.59799 2536.08403 8003.482976 9763.711662 5446.129623 6434.182799 8115.660395 7953.182074 5601.602854 6789.310221 7463.76981 5419.498804
Roxadustat 28524.23624 26752.13858 12362.00334 25535.02182 26994.0666 29204.73532 9449.084803 16157.3579 11864.63598 14278.00566 14771.60631 14323.79338 32840.20009 34154.63822 30719.88149 31560.06271 31596.03801 32370.52629 5411.62744 7686.296624 4096.900771 9224.37373 9680.634327 8084.754837
Kaempferol 3-sophorotrioside 1758.287842 1824.868929 2078.269685 1685.643971 1660.412667 2007.3247 2094.395017 6582.119732 1542.792098 1839.612227 780.5731825 4382.425303 7.609931835 578.9016834 478.5040052 327.4835373 299.7028777 483.2395996 7.156357392 281.4213166 3.326194764 354.4165836 30.90342972 8.164324077
3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan 210855.7755 218189.2117 226176.4642 220511.4876 206430.4896 208111.0954 225976.7239 220653.3851 228270.0478 224954.4071 231417.8117 222431.9167 7786.542189 2487.269809 1429.758727 1410.36414 11802.66569 3254.471346 485.0155375 7162.653368 1227.673259 7540.789518 547.3819429 6806.11459
5-O-Methylvisamminol 85.64498681 5.563415831 15.82903447 63.6192856 32.91479529 49.73742799 13.60966297 14.1188063 18.06353976 33.27653943 14.80468474 37.12268514 82.79963655 70.8351891 45.90393957 78.16698965 18.15672696 55.84366155 23.67355319 28.25932463 18.76192717 7.821338008 8.729192016 23.69690141
Sanggenone C 615.0475072 836.1087509 649.815683 643.6527441 13.30950875 22.24864836 616.9534687 586.0988173 75.15587164 574.1270495 516.126013 1080.388104 13289.71604 11999.67257 11799.14254 12688.97664 12484.78061 11739.67132 1859.495652 1095.065709 1885.855429 579.9423991 1908.32019 1578.687639
Grossamide 192301.5615 190529.107 185057.2816 196371.5118 180795.6906 188696.1433 146650.7356 144230.8486 144138.0405 145908.7711 146431.562 144593.6907 2426.732631 3232.913518 2157.777317 2934.612373 1946.548957 3123.736945 6565.285795 7259.782767 5220.271229 6713.589984 6911.370626 6379.697201
Nitrovin 149305.9851 178097.5431 150302.5686 154373.3234 159380.4428 160874.5561 88299.10358 91175.2542 93449.22798 111732.8824 94408.89148 93016.1876 72989.8139 84297.04764 80809.88535 82301.92923 79040.75464 62438.76821 12517.15237 30810.78654 13856.03465 22055.63465 23556.56163 23677.36476
Turgorin 138032.2871 136718.2968 138518.8252 159673.7217 137610.3276 164569.9895 105830.1211 88226.65917 96705.9153 117051.284 89603.88523 97459.25224 15652.50614 6779.478651 5678.489197 5992.731339 4876.026572 5506.565581 2604.132875 29.69914731 26.28194882 12.40269366 2238.084385 2859.232043
Quinoline Yellow 4047.485488 3139.172023 2501.9398 3315.170974 2752.736436 2764.973068 1995.794231 1878.372715 1614.363178 580.2438187 1195.819937 1642.221007 3857.180188 3169.995595 2870.808568 2542.314381 2620.873232 2277.784122 437.3676421 499.7898373 595.0028239 389.9710208 490.6402789 230.4775005
1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose 180534.0626 188472.4736 192047.8738 236310.1176 164088.4796 182760.4822 67585.37946 72909.22217 58147.95367 64962.02761 81904.47563 72219.80615 287.1334574 23644.98153 25071.75352 16905.27836 19654.72672 27962.4702 39.60762902 11017.18843 10958.61749 11532.34486 10914.6141 12591.85206
rac-trans-Sertraline 476.0888613 1032.891187 1167.708619 1254.616685 1801.193034 1195.40813 126.4703482 988.2193262 217.6636516 1085.037387 1288.871767 237.1318769 6980.79075 13115.79696 11736.28177 15367.49594 10965.57327 14071.41665 13623.5805 12881.34694 13637.323 13771.32344 13711.30667 15367.75074
Tellimagradin I 6545.61111 13642.49028 5390.2508 3099.800749 2965.055182 6039.462151 17660.81168 18943.99935 24063.03477 21422.91885 18091.13705 17361.7524 12734.53492 10434.32229 13311.56218 12802.52798 13214.05627 13518.83827 12993.64254 16663.53981 17887.05219 13344.87144 20663.46106 16340.50266
Sceptrin 20749.82796 22213.36645 22898.12022 24359.12837 21439.17064 22622.52292 40625.2341 43621.19952 42022.28048 38588.50196 41598.13861 36151.68317 65543.28975 78378.71784 78089.38691 88644.2733 98968.98598 82302.61325 93058.08962 86287.68175 97813.93232 93080.2461 95972.76668 97102.32381
Etobenzanid 73739.65648 69226.57742 69229.94526 69236.66215 71176.62461 72714.56834 87375.49579 85945.84696 94586.2327 91230.45128 98080.83379 94464.50064 332.7031019 7170.233025 18.2153425 5936.201701 5499.837664 6127.73726 74.7537809 64.70020447 71.55989515 62.68951001 67.42018395 105.8631847
Leukotriene E3 319.7222147 345.7561639 343.9261859 678.095685 426.3760257 507.4813582 344.9558727 932.1326479 827.8609162 1228.64428 787.1178673 642.7451076 8116.21705 9073.981684 7992.577272 10776.97052 9854.702478 8134.80099 9184.088647 8148.829465 8582.656686 8406.008845 8382.352565 9082.73967
15,18-Ethano-3,25-methano-16,4-benzoxaazacyclotricosine-1,5,17,21,26(4H,18H)-pentone, 10,11,12,13,14,15-hexahydro-11,13,22,24,27-pentahydroxy-6,10,12,14,20,23,28-heptamethyl-, (10S,11S,12R,13S,14S)- 5274.609167 5017.70673 2324.096949 5526.009991 4685.277071 4480.164293 3800.151237 3019.936245 3330.052497 3221.545184 3461.243464 3238.493952 517.5992432 648.9821689 396.164723 493.2452131 129.5699343 283.3004849 107.8584001 314.6669131 133.4219252 72.3724 196.9809207 330.0326388
Z-Ala-asp-OH 10708.51969 9895.622132 10226.80274 9231.742431 9492.593209 9592.732698 951.1138696 3062.836276 2783.029603 2809.363686 651.3918601 1179.600759 1882.032278 2827.14514 1573.215187 2404.884107 2860.107544 2697.351442 3553.835542 1753.815112 3212.069919 3199.891604 3436.779866 2581.654237
4-Phenyl-2-(piperazin-1-yl)quinazoline 3785.447753 4188.646976 4083.06499 3375.880078 4991.244092 3405.474813 1068.247888 1305.54199 1376.783638 1478.785063 943.0232505 1272.958151 242.0260139 590.1093129 212.7927644 241.2726359 363.5710487 203.1242954 312.4388075 201.0933129 165.723048 116.802119 250.3769268 209.501664
3''-O-Caffeoylcosmosiin 1348.002001 400.7593256 1519.544342 239.8760065 292.1474796 440.2534614 112.6765976 2242.504434 1482.365079 1472.637815 703.5030067 800.7885532 28717.7049 36569.71378 26475.78401 28492.89364 24855.75895 28298.9817 67383.28785 60073.88119 65879.39877 64285.30917 65262.86766 68178.53584
Cefixime 1600615.031 1501051.214 1458026.513 1473449.973 1392894.822 1401460.311 1257020.604 1530394.104 1383978.843 1229209.523 1260032.821 1135007.739 3857.719268 3082.256666 3680.325087 2589.563262 1294.401828 2640.118495 1145.671102 407.2075768 511.2325405 1149.099738 659.4577273 865.2238678
Gallocatechin-(4alpha->8)-epicatechin 494.2718358 397.9010017 1053.0412 1904.233383 910.9088976 1266.871749 876.5831952 1555.53751 691.2298872 1544.972493 2089.813917 1280.741683 207294.6732 225326.5365 205153.1342 225570.1362 215343.0013 225101.0226 538473.5397 530372.3504 554982.9777 502705.9882 549419.4211 512440.761
Latinone 218.7893294 1129.966175 302.2285062 169.0957119 241.197311 226.9880658 583.4906637 405.3124085 326.1296455 338.9764079 310.3316327 265.8249878 13168.72797 10249.10442 10607.39931 12908.91796 13319.97715 18862.5282 6793.042468 9880.9704 3598.3769 6987.712825 6756.574826 7026.747373
[Gallocatechin-(4alpha->8)]2-catechin 515240.5334 489325.4374 448989.8131 477833.4274 446217.7042 168687.863 2107195.238 2130995.725 2132942.892 2016882.34 2204156.986 2079182.847 704.8070823 180.0226687 91975.51489 526.9447896 185.6680351 117384.6521 281.3802762 12095.65777 366.9597724 592.9707355 299.7782752 299.7781983
Pyrroloquinoline quinol 598982.8987 501672.1666 486577.267 509949.4465 490730.6065 475883.8492 176689.0387 174802.4205 163718.2978 172711.1506 216317.6793 171178.6041 289.2502491 24.52203946 172.9616368 156.8318488 177.4027579 15970.60422 16.34801556 60.26940577 103.7555615 15094.99604 16086.86466 262.7468303
Gallocatechin-(4alpha->8)-catechin-(4alpha->8)-catechin 20.79231424 2207.659904 290.9223439 235.5703214 908.2696125 73.95297823 75.0202543 114.3023848 95.64449298 648.151858 2261.859501 109.3555605 27072.71819 30660.12383 31085.44701 24812.22035 19805.30257 30990.72608 8170.114936 3756.073558 7783.977205 8283.505421 5272.147616 8174.781279
Chamissonolide 602.0233588 133.1957294 160.9950983 462.8223858 506.1040375 105.2965343 723.3746492 650.9877304 840.6274519 122.2455462 91.62191555 107.6958756 27780.23288 23604.30565 31108.00261 24806.12954 30461.46996 23339.70652 56717.09747 46149.16709 58410.62062 51036.16095 48070.54886 54761.66939
4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide 144.7387754 38.28111828 94.06248562 1600.926164 1515.669881 312.0818016 1692.043089 438.4109537 265.0504834 354.9581068 242.082468 193.2279464 36360.23372 42299.29695 37521.06197 47979.59566 39383.94428 39182.64965 19811.2439 15758.10267 17656.24467 14602.91703 17164.82459 16326.15044
Plantagoside 623080.6768 620913.4621 606040.7986 611209.194 605032.9479 616821.2933 714412.5803 700217.349 671317.0749 692939.6926 709787.3847 705067.9002 686709.0725 665814.5657 667025.8427 692838.9656 643631.8122 657048.2 280695.5956 271980.0974 278337.2506 277134.2328 292505.0885 285727.5726
Iresinin I 1088565.84 1066141.643 1111805.551 1097033.461 1032895.041 1080435.186 533015.3737 594476.8781 623102.3577 531356.6561 400901.4728 369305.3769 3949.039608 6504.45591 1725.664162 1020.819758 444.7110078 1712.282892 3878.065016 8671.269125 9982.939903 10916.46416 9125.720133 9480.682528
3-Oxododecanoyl-CoA 2590.829932 2902.853017 277.4424921 3376.066444 3397.806394 652.351531 244.3055576 636.6350712 243.5247493 658.9198729 695.3664247 681.1488542 142.7435084 136.1856919 71.89460165 99.54652842 203.9338116 874.7193202 186.5628804 120.4853804 76.04228701 615.712221 152.6830824 52.07773992
Ginsenoside Rh2 8219.997476 11246.8359 10931.76179 8908.770933 8376.180111 11729.59449 13155.28644 15896.22846 17646.60755 16505.56276 14286.14529 11577.77291 9461.724219 822.9880302 1127.984232 498.4930492 676.7450021 1836.055865 829.9180657 944.1213664 500.5349097 635.9562329 301.1567752 483.7529533
Tribufos 1692.761696 1058.349273 599.3545811 84.95498717 1227.449414 2127.261836 137.9286542 919.1521748 478.592796 600.7447125 884.6301211 1435.341971 25210.78902 23126.43956 24050.77655 26437.17176 24610.97886 22139.81245 24591.37894 24600.62343 25697.42864 23724.92498 23734.88708 26309.14158
Dioxathion 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 2520.146225 1905.015089 2537.987174 1870.45274 1781.42059 812.473546 441.9667656 866.014962 471.7395932 662.8707747 676.4868565 487.4562801
Epigallocatechin-(4beta->8)-catechin 71758.22444 81467.14362 72941.48906 77075.48951 77611.00896 62332.09587 37206.4202 33737.39659 58206.05588 42263.16109 56450.1783 38267.4261 440121.3638 439300.4766 380318.3268 435136.0536 406112.5629 410350.9116 204027.6655 187596.8398 207799.0208 208513.0168 207528.0412 211770.8751
Doxazosin mesylate 3725.286678 3323.252909 3721.874377 6638.578737 5495.051756 3408.652242 5229.984502 6041.470023 4624.662806 3424.127475 6885.27952 4309.497575 1523.23609 1394.536854 1084.217067 1542.314126 1610.61826 1275.526028 1552.285511 1203.857938 1200.606429 1354.725378 1022.779686 1398.397315
Gilvocarcin V 615.834256 149.6786245 1386.761048 5460.732705 2275.013493 3977.315167 938.6689118 3396.907811 1420.78554 1425.378129 2898.151386 722.4000333 1659.814537 2497.554473 440.1623665 2112.043179 1702.608866 3381.815166 1959.295684 2046.168104 1721.919876 2607.676452 2548.567273 2121.567625
Dihydromacarpine 6458.577404 5552.16687 6562.879182 5755.482409 5612.983212 6017.740102 14424.29658 12323.44867 12270.0146 12763.25423 12328.04759 13112.99697 59793.74904 49386.18177 61593.40549 71106.1657 53598.39067 49989.90541 1414.583711 3885.497501 2602.887685 3129.026964 6112.612825 3311.279603
Occidentoside 153755.9693 166833.2859 159321.4054 172799.4131 151683.2926 152274.9794 146945.65 163002.0573 141087.1978 142421.6581 169042.3546 144664.4433 355374.3786 327196.4003 342361.7044 371819.5857 333442.9769 336293.3367 200850.6595 179327.9234 202123.0077 200473.4976 180461.5907 214168.2095
Rheinanthrone 2528.826127 13081.84821 42334.80518 12206.853 28372.45945 43494.14721 11763.73588 17830.84693 18400.83431 18463.44958 6674.137066 32770.85567 82076.02703 34152.04065 44833.2453 37732.07382 43651.73015 43816.07537 84497.48735 86019.64352 140994.5539 86745.4451 90666.41005 86088.52128
3,5-bis(difluoromethyl)-1H-pyrazole 10588.18748 10577.35266 11692.40748 9340.387647 11186.502 11611.49404 3563.196748 2783.366824 3823.420979 4346.319068 3647.534125 4055.848696 959.2135714 300.6614954 233.2552494 371.5969491 220.3119719 321.1288743 294.8154974 431.1401493 324.642215 338.9428227 386.4913414 397.7642653
3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid 58211.06067 58248.5468 56086.36647 57287.52253 54035.51748 56209.57075 992.3090637 260.4133879 471.0363905 3064.774838 928.6846711 2128.750523 2228.008917 71.88867428 369.9580155 965.087143 93.52829824 398.4031808 35419.74423 34367.07536 36521.84371 36001.84946 35286.88126 36440.37035
2-Hydroxy-3-(trifluoromethoxy)benzoic acid 1919.312953 2428.944184 2092.346754 950.4517764 1449.926774 1504.002643 793.8139245 1249.067393 1980.107318 862.9733068 604.0760064 1347.741277 563.7740996 472.2442504 405.2460114 508.8017634 556.5962837 515.305232 464.5289018 288.7687398 620.8102434 512.6482053 365.86311 546.2842613
Wairol 27042.04881 39727.76929 25152.30187 24493.97694 10495.23413 24869.49772 20245.45944 23297.90283 21474.31127 23424.9145 20068.02743 22161.89812 1279.769354 1855.44226 1337.037581 1993.696863 3020.002977 774.9581879 634.0064884 1918.593433 19578.12835 1916.088963 1422.170162 191.7639473
Methyl 4-bromo-2-(methylsulfonyl)benzoate 210.9690331 164.672969 218.394647 396.1474682 130.6720057 78.81666787 661.4428239 304.2641252 314.8447929 112.6713164 890.0653618 724.6900234 8958.500018 10819.54142 11540.24919 11694.04258 9779.302051 10482.72014 10081.83318 10729.93511 9509.493896 8290.294856 11692.19647 11565.00681
(2S,3S,4S,5R,6S)-6-[[(4S,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 1792.846207 1609.224967 2165.950671 872.3987431 1988.815164 2444.726974 730.2335548 353.2367479 666.3728354 630.7354653 758.247061 451.8417403 3181.277552 2227.626662 1405.321174 1434.723227 1688.752183 1195.532828 89.69461105 706.8660784 3960.88036 862.7957831 338.2870338 114.2378682
5'-Methoxybilobetin 4438.475678 5615.648607 10818.67312 2614.830278 904.8482337 6660.05336 1580.222648 3548.821884 3549.417047 3267.54977 3615.913146 1876.578897 1255.124556 3075.402609 2839.65079 5076.282143 2789.416144 4395.644139 4252.088826 3554.565493 3076.872206 3120.064755 1688.150688 4065.574885
Citric acid 10817784.28 9810447.788 10128223.51 10313672.47 9832879.393 10892400.51 5547540.217 5594099.295 5082152.947 5774219.892 5658331.483 5569042.932 8784501.033 8280949.413 9035226.891 8501726.756 9560789.391 8579560.977 3561022.48 3448036.375 3608935.257 3724989.124 3372285.084 3756626.17
Methsuximide 70280.74976 69537.95847 70797.64412 69665.13455 84127.66212 68485.36528 52905.24787 55539.21403 50351.08481 54576.20401 56232.63511 52484.8567 82255.35508 90278.13076 76616.07993 84704.71027 86176.79033 84467.00602 22628.82339 21704.71693 24553.45224 22931.18032 21712.2279 23655.12406
Phenolphthalein 33646.3799 29587.15756 31037.56419 32146.95961 29192.74877 30888.738 28694.73824 26026.05329 28193.65096 27483.30491 28585.77168 31699.85657 82150.53059 82612.16414 80154.86736 108352.7114 105662.5241 95136.62203 65073.96578 62399.19393 65580.85786 63667.90497 72112.43637 67653.00444
1-N-Boc-4-(4-Bromophenyl)piperidine 81217.11839 178.6783784 78252.70684 79928.58137 75391.32546 529.2131148 86541.3632 87769.81539 85632.92169 86976.51067 91376.59184 86782.79068 64653.60253 66288.46251 66049.13001 68854.44476 64172.68753 65965.8558 3969.794351 5107.06864 4800.695154 4893.906312 6203.549652 5744.5113
Ddhads 25270.19721 20648.63322 32650.18151 22725.94481 18549.22711 51420.22044 18232.59521 17874.5812 15557.62964 15556.86441 17338.4619 15063.87298 5078.699418 1520.327411 824.7597582 2628.578699 4608.270901 101.5140629 1330.039348 1037.594593 426.0413909 1164.867516 650.9517716 1639.198154
Beiwutine 11031.75603 9068.225662 5643.32997 7602.230384 6594.642259 9407.418143 7713.335796 8521.478263 13531.39518 10878.35119 11610.94072 10696.20389 1300.745221 779.8156733 960.2019724 746.1629052 749.0765743 865.5173013 650.8493752 683.1021316 622.3295186 509.5728557 401.1285356 469.4250373
Pelargonidin 10390.85614 12982.12038 19279.95998 20688.61853 16785.06638 9699.718347 16190.12606 19606.61625 24400.40513 28890.16385 23748.88729 12316.26283 149381.4397 138354.1807 166033.6785 151218.3469 116397.5969 122636.4423 237383.1362 248361.8446 250629.4001 242076.5699 229337.7034 220487.8149
Camptothecin 153196.4905 158868.0601 154201.455 157624.2359 154951.6371 152897.6816 159205.907 175162.753 158721.3542 155861.1554 162701.854 156770.0543 358282.7119 345967.1795 349927.1124 377390.7617 363115.8154 359196.5665 240386.8224 240230.8078 301333.0756 256037.8768 290822.4071 299707.5655
2-deoxy-5-O-phosphono-D-erythro-pentose 59276.97469 58682.36762 60736.28597 60418.70275 57459.46885 55717.16241 69968.34746 72580.1513 66319.67239 68329.28462 85451.64465 66396.13933 10210.8865 3788.39131 2766.255483 4666.379944 1913.477447 1088.880809 3528.731172 2645.628591 7085.399471 2778.563907 2685.681139 4712.852967
Thymonin 76036.24015 62367.2041 62295.26037 65173.20875 61880.94792 61573.4749 47859.33122 43802.15542 41804.9555 40571.03395 42774.35306 39535.11639 221172.9287 228837.4216 212296.1558 206333.5203 223971.9657 209191.9452 130371.5874 123481.6221 131562.6859 132325.6903 129534.2642 139878.455
Cyclic guanosine monophosphate 20465.53306 20805.76216 20512.33531 18515.77332 20383.71789 20061.56879 6117.090921 6091.086443 5217.497386 5701.672623 4473.048815 5474.283297 769.1047372 654.9014857 85.92636652 546.4776332 2183.476097 583.0654229 3424.192635 4257.620857 3413.297643 3775.734292 3850.747301 4118.450172
Divalproex sodium 1031.60033 1283.201201 350.5180472 989.7432518 1165.307745 876.0286398 1181.637943 915.884946 536.954929 801.8699762 505.6303937 543.0364943 602.1531343 1269.420586 1346.956775 1270.600765 852.5135318 660.6114606 1988.520502 894.9886931 1959.225839 1311.834241 1092.35323 1482.07633
Chalcomoracin 7306.749197 6692.238659 5559.485906 6292.297602 6748.955733 8809.269144 9074.991843 9567.278744 11887.92416 9502.483095 9081.587331 7464.979884 3402.207703 2255.387359 4782.605466 4299.053286 2529.817603 1724.186648 13801.533 12050.09883 14038.61026 18808.3971 13770.92524 13375.03398
1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione 516.5950252 1453.362374 1849.07409 1778.625516 2928.098209 2298.189244 3075.192071 1511.142571 584.3122295 840.317548 641.914536 775.1469905 138.5533996 396.5887383 256.0901524 1190.03066 856.5464779 120.4956182 672.1642207 949.3246222 865.2608599 485.7588986 602.9436683 159.5706336
Dihexylphosphinic acid 3390.256136 3039.51752 3445.898756 3664.348364 3999.932102 2498.767004 5629.142871 6834.705328 6247.283773 6849.481482 6267.550236 5359.394917 355.100667 1085.806053 532.4537139 678.254285 692.4865834 744.4376688 1903.6907 1193.386947 1260.466939 1937.62659 2211.820896 1608.202244
3-Methylbutyl glucosinolate 34418.41063 40192.93516 39572.3588 39958.17942 36487.75999 39702.90748 88958.2173 85915.69929 72446.48934 85558.6684 94677.79996 89947.28934 185.1059141 339.1069629 270.4493467 302.1070808 1837.765363 464.7799049 319.4348137 223.1209445 679.3039319 163.0759887 454.3029404 313.4355182
Gambiriin C 1942.213723 7350.446445 12239.99697 8739.202983 9225.417162 2647.294156 17723.8807 18072.4054 17534.98401 18706.43139 25886.6615 34044.03638 90673.06937 86989.85307 88762.37375 84073.42133 67976.03215 72860.12284 30010.26126 28776.57032 30118.02391 28556.46521 29750.16278 30760.53596
Dehydroxymethylflazine 58249.43665 65305.99761 61586.83953 55687.56212 56997.63821 59230.46838 43776.25676 39797.30749 33421.56401 40299.22157 39532.83286 39273.42268 344.3004285 4197.805594 196.8735839 4510.465769 3648.783483 3487.077926 1260.078875 914.8399117 981.9883864 2072.268646 2326.818496 356.0222843
All-trans-heptaprenyl diphosphate 3210.649463 3302.152367 3804.677486 3452.366546 3161.113371 3229.385046 2532.613529 2597.408559 2415.059375 2655.866836 3142.640217 2656.164291 4147.064035 4809.058761 4333.848351 4822.864266 4469.670615 3482.463346 5829.89419 7091.351106 5931.976004 7454.391654 6200.715377 6062.078636
Nigerone 31.83832412 44.62502885 60.19968547 165.8743626 4.555927466 53.76358426 130.640268 170.9373669 45.3521936 66.80329155 81.10860976 87.16136463 625.0459548 360.9408528 754.6754495 893.8303266 757.2409925 904.8664726 343.0198522 1035.848292 871.1960455 474.8027584 498.3115547 297.9330303
Triamcinolone acetonide 513.966009 2433.328625 229.3129304 760.7841605 733.7160975 648.0721518 3879.545968 544.5327862 2369.597635 3372.01608 754.5862151 4343.095639 56916.62784 50699.94091 55581.3955 56265.25201 50100.02612 52327.66987 123251.384 116735.2266 131979.1486 124824.6751 120716.4252 125351.2791
11-Hydroxycanthin-6-one 152041.057 125013.3453 135118.3487 122857.8999 118291.1208 126554.5363 144659.6032 145596.1016 140959.6105 146003.4941 143086.5454 145966.5405 251.3752279 496.7494087 1539.256897 227.5985887 434.9618769 885.68979 658.7566006 83.34573465 480.2525032 267.2572064 1118.233625 888.3043677
alpha-Ketoisovaleric acid 4147.717303 3660.786583 3492.700108 3602.996008 3604.710566 4767.743334 3840.683154 4087.424178 4729.902549 3975.072761 4740.40865 4642.485832 7659.960525 11650.14377 7169.86939 11492.72753 6777.598094 7309.249256 14537.15338 13682.83066 15954.71489 17579.98608 14552.46945 19203.54325
Auriculoside 49516.90488 40603.26679 45928.55113 47352.72507 41100.24478 49916.12647 23800.57499 12949.53155 22320.43358 21048.18382 19753.74041 17393.35256 119772.3937 135488.6249 117499.8988 130637.2042 128937.5161 122043.0557 1744.671862 192.6143849 855.9688096 810.4797939 1102.655723 411.3638106
2,5-Difluorobenzyl alcohol 3822.954379 3669.400166 3863.108868 4055.310067 4391.845672 3984.932822 1208.762715 1729.540169 1027.632563 1131.913784 924.5350683 1299.088116 6449.465538 5581.783009 6794.636275 7041.532432 8481.808753 6912.325069 1958.986335 1085.923998 2333.544556 2388.301708 2292.391116 2387.57978
Enalapril 360.7578014 8043.062025 89.45385232 11348.94748 67.76406337 106.3463514 8469.583261 31.61514521 259.0469944 156.8499868 404.8685442 223.5110171 115877.6065 115404.8535 115231.8146 124918.4168 121703.6381 117981.9797 461254.8343 420670.3346 483536.7073 450071.5756 422196.8294 445953.6056
leukotriene E4 1315.778946 1893.55594 1433.081732 2023.450281 630.7554678 1747.425703 192.9392869 492.0082252 479.0343579 176.3082143 298.4394215 561.1695023 225.693559 276.6049897 120.3964259 24.8955002 88.56387389 274.1724354 166.0041161 74.27816246 25.71169035 343.027864 153.4548485 211.6110096
Leflunomide 783.2970865 738.1098337 1397.079819 1260.348616 588.9073761 1147.971717 159.9621676 55.36643805 63.17883436 353.5074279 183.1506032 1081.210391 45501.21345 47360.30114 45057.60752 44357.9478 43417.60774 43459.84886 1394.514006 947.3536719 1769.919064 2157.783868 635.7465103 1402.64009
10-Acetoxytoxol 38182.03738 36438.74134 32963.28615 43336.32286 33975.20425 68482.31607 352953.8307 252550.2915 291215.8311 338048.5124 251579.3054 356788.771 142829.8369 135860.2778 145268.7624 208545.1134 150137.882 198835.5008 18154.58763 36142.35056 57551.4821 18996.21248 16666.64888 59788.51647
2-Methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene 47.07409057 21.76057459 22.89553283 73.81832023 166.3863773 37.60598554 8.832545287 190.9109131 212.2267904 95.18352032 30.34635279 51.07069761 3623.29451 3381.87831 2761.340943 3435.047142 3253.389028 3102.904242 6.217295134 21.85918419 71.20262576 332.2859565 8.561154224 362.8543774
Kuwanon G 24476.77788 28525.58403 14574.10886 11032.27793 28603.82347 24808.85306 7779.864833 8970.988088 9882.376035 8167.675363 8373.76732 5436.667024 59.21700597 1031.1048 1329.837476 92.23480193 742.5277963 960.050514 354.5423633 346.5090507 238.6874427 147.131709 955.4543314 617.7895966
Chaetochromin 297042.2478 254497.8124 276317.9892 262262.4949 217439.9043 261227.7505 1748196.293 1498422.884 1371412.711 1297229.552 1789287.462 1769627.143 407882.3161 466504.0949 460176.6039 475208.143 562301.7165 489066.6763 24268.00185 19161.57753 22203.39847 20753.3963 22264.51046 26844.70305
Regorafenib 18185.42665 20033.85397 19984.07228 20715.74164 19685.57129 19248.47915 28613.89353 43740.88273 26986.38495 25280.96533 33153.22946 25441.9547 309.3852577 162.2547603 808.7768706 317.4608919 326.4170048 434.4898378 848.4219326 636.0978678 304.9803131 605.2603082 519.9504176 361.1809226
beta-Nicotinamide ribose monophosphate 8927.906034 9314.25336 7680.388318 7362.678365 7632.30262 11484.90323 10716.48643 6246.54635 5864.036868 11123.72401 5842.460243 4416.443982 4789.519876 2974.013005 4599.643533 3069.225146 3546.321976 4919.156681 11120.08774 12487.72975 12243.37404 12627.4864 12290.0499 12477.69276
Alpha-Phosphoribosylpyrophosphoric Acid 2244.443706 1816.736437 2086.035368 3048.626798 1932.339114 1685.228025 809.7092142 253.9888665 273.4489117 50.39843556 75.84715433 524.9390614 13967.76128 18992.464 19705.4257 22266.24714 24661.02802 23545.46492 18757.01837 20791.27047 23014.08757 18118.62223 19938.41867 18705.05752
phenylacetyl-CoA 114496.6666 116204.1131 112122.3885 116852.7617 106164.7852 117747.972 175807.7142 173663.5261 168166.9038 163324.0681 166133.5027 172222.5415 5751.446257 4779.905864 219.4259027 633.5118031 3415.775303 3702.144365 3047.302254 402.0080371 52.63430019 2256.148372 73.68824194 2609.443055
7-Hydroxy-6-methoxyisoflavone 69928.29903 74165.65622 82172.00536 73087.04522 81256.30556 62829.56267 68441.81025 69384.89574 101598.8711 97565.14651 98989.53334 93085.3877 1287.219761 127.7995969 1220.376249 1497.570535 378.0580978 1319.119916 6415.253483 6462.797348 6846.217369 7203.649775 420.1409854 6891.552226
Xanthorhamnin 17863.33912 21536.28627 13423.86472 23800.81587 13717.39715 16774.17152 14496.01266 26029.64891 31103.25666 25309.41301 24643.09646 24701.12567 12479.03039 521.1406626 3906.988732 1966.028885 6738.355179 1896.047937 1221.924901 2000.093998 950.3763739 1254.77053 1687.401486 2591.300619
Manoalide 3.478030316 30.45120511 50.74082065 29.07342903 26.79951858 31.85518685 26.31749323 2.469993999 1.669446536 11.63977672 0.584307626 13.58013804 43.43362163 43.26659103 37.98001201 78.03448121 25.86178096 53.97882141 44.53727715 48.40473373 48.11726583 13.76371206 57.17868254 9.89614957
Dimethyl sulfide 3069.149985 5579.969331 5862.460351 5799.904845 5238.538941 4891.78461 4334.907836 4792.805751 7976.006026 4553.730453 3782.282164 4944.804724 4924.319634 5146.38337 4098.235738 2948.718703 5958.849728 5134.663149 4995.278767 5192.114877 4615.305067 4639.391835 9459.462331 5559.440178
2-(2,4-Dichlorophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile 1350.077527 1115.081472 1985.760749 1060.172191 1862.553865 1879.408648 2268.853417 2125.780181 2532.001988 1502.79905 2196.396619 1220.457517 452.6008233 390.3296568 301.544739 360.4384649 442.8379036 404.8319169 873.8678019 453.2674951 551.676409 793.6622542 577.0786089 347.908647
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexanethioate 38685.84149 41307.85391 44464.7866 39408.31705 39059.26182 40419.88035 29255.33615 28157.21908 27784.45653 22932.45632 26945.60367 57977.57305 2849.282471 3558.579932 2105.374816 2502.342658 1481.839291 3112.464098 262.39832 614.8113783 694.6496982 512.0412629 398.6711356 461.1485119
Cefpiramide sodium 9741.48506 6787.254028 6616.000838 11090.08276 13031.42457 3742.465438 7419.114825 5934.845952 5435.303452 7484.308125 7065.504882 4078.731834 25915.07945 21412.06381 20331.40863 43167.51357 13862.72933 22108.14381 9640.085336 7537.159586 8835.154565 9446.970719 8563.607956 11806.57595
4-Acetamidobutanoyl-CoA 17.4470465 26.01488233 32.27204897 30.26044316 16.8350651 29.53249817 21.91669437 32.35295921 18.72009982 56.95839126 12.92269137 5.558977777 31.12758918 26.9545822 21.28838196 34.18574335 18.88403395 27.91229212 27.02252373 1.114681215 18.25484185 15.64926238 2.10915829 25.56217359
CID 23679441 940.3620001 895.5169578 302.1293779 909.0076068 410.4416606 842.7636102 183.2605261 271.7887222 459.954218 395.5161521 125.9567922 325.22887 342.0839289 1138.406717 1272.919399 1277.137009 1022.032079 1126.314653 2800.160442 4923.084232 3521.704505 3588.541368 3866.226402 5068.011244
Aloeresin A 10674.165 11205.00359 10297.64639 11737.26234 11562.6121 10427.7682 15126.34454 14253.52403 14362.93898 14754.44984 13196.71184 15197.32105 146840.9377 148263.5653 143796.4515 143480.0639 143544.6083 142569.393 135124.2435 139141.2955 143878.8908 144276.0328 145294.5949 155004.4284
6-(Methylsulfonyl)hexyl glucosinolate 19023.09686 20380.54946 19368.49691 18687.5169 16684.9244 22109.43786 17602.68776 17400.15519 16662.00484 20479.22292 18902.54274 20818.99144 46339.42763 47511.18717 47339.64945 49350.31359 45994.73955 47279.96401 35419.74423 34367.07536 36521.84371 36001.84946 35286.88126 36440.37035
Metadoxine 102.9631505 175.3788712 154.6526002 120.7550079 146.3408228 55.82310837 109.1533893 18.36290034 127.6599886 194.2186223 152.5540369 216.5338188 1360.777228 1070.64952 1166.919456 1193.145893 1356.516573 1381.652067 1808.223873 1792.778626 2278.77499 2112.487958 1801.285537 2006.79855
1D-myo-inositol 1,4-bisphosphate 5404.095239 5506.115167 6116.969186 4116.879207 5403.48038 4065.523821 4052.856883 3582.097999 4527.027765 3925.393833 2997.490416 3303.353512 235.6488527 337.5551156 171.9980991 246.041514 109.0545132 222.8754642 320.8286985 556.3294699 280.9306173 499.2458624 457.2666491 254.5242638
D-Inositol 1,4-diphosphate 6412.569226 6029.914248 5500.645016 6688.997024 5370.298536 6018.367517 3803.177618 5184.916891 3721.325504 5707.581207 4106.733886 3044.001419 17843.67328 15102.42703 15265.12616 13088.94695 12942.9263 12474.23887 32961.4292 33183.48772 34741.79476 32689.68194 32080.72147 33339.94694
Platelet activating factor 10593.43621 10315.21093 10476.79993 9842.110313 11032.80389 10487.49366 13280.50037 16608.13695 20559.11623 14497.2557 12964.10074 12703.38058 15089.88845 10531.08734 11201.98488 10709.61431 8078.675949 8810.019262 11100.67528 11229.66299 9162.089919 10242.91748 14960.17124 8512.716824
Cefotetan disodium 14454.72277 12275.19745 11370.00357 13806.75548 11799.07845 12005.60909 10783.59585 11515.78205 7467.483633 11723.45275 11149.39405 11455.73865 41930.00342 37456.2276 34506.63141 30161.61261 31680.44138 31151.16474 44895.18209 46943.76957 47938.66244 44537.59591 41573.95919 47311.6086
Triptophenolide 16536.6272 12536.86701 36219.79106 36060.98239 38816.66077 10313.12159 7872.030305 19044.68076 33049.5698 31377.88371 11952.86322 15961.31869 42838.21406 33043.5054 27509.09696 40084.04934 29267.4909 54629.35927 30879.58609 17934.00241 65486.75282 56212.14169 38911.14808 91454.61151
3-Chloro-L-tyrosine 12509.34873 13811.19141 197.0677163 165.9687457 333.2990587 50.92732283 76.43356119 12951.77407 10418.90328 109.4656199 8452.299366 8798.637193 233945.8906 250448.4489 218970.2866 205421.9979 212936.8353 205837.8968 289631.254 303927.7548 332267.4883 296428.4243 288922.338 293083.8428
PDK1 inhibitor AR-12 84655.70579 101475.4619 90503.99486 65984.80953 100785.1002 86057.62736 59683.08843 96560.6028 158085.2252 100586.3536 99813.64503 91320.66205 42663.57789 39695.22892 43149.29908 37949.63495 25864.62999 25117.36824 39451.89149 22362.71081 40129.66768 20218.22515 44045.40972 37856.06631
Uplandicine 196.6828139 81.26641428 102.4036717 77.35461811 163.8244143 76.51935277 296.7426546 155.567791 142.7698609 239.3929576 216.0678126 173.5344168 5425.465529 5993.952009 5689.786112 5868.579677 5812.22526 5578.212439 8311.18202 7051.801958 7994.887262 7777.384488 7324.249775 8124.909697
7,3'-Di-O-methylisoorientin 57954.61187 45142.31399 53833.30131 54562.39083 55049.84819 48001.46772 12395.67906 21649.20772 25016.57911 11597.60788 10085.05172 13439.26616 171390.1755 99261.87 99722.01014 103170.9771 77567.42234 111803.9558 37881.3052 36205.15928 56293.50644 40193.06205 55550.04423 28558.1556
Bisdethiobis(methylthio)gliotoxin 49.91509094 15.11021978 102.3709273 285.0712184 153.5463551 225.9422481 117.8762501 24.66706216 93.63371782 102.258188 296.3755485 62.2484679 49.50627394 78.71963446 22.47152881 51.74471621 86.95851791 53.04940117 5690.893391 4821.637012 5759.080556 5565.541308 5504.181089 5686.662039
Bissalicyl fumarate 64827.08687 63231.38193 64006.64542 62102.48656 65243.98488 65978.85496 52900.39543 51617.95921 51976.9263 49240.29613 50093.67722 51206.1153 591.2975763 1120.72614 564.0772344 489.6876646 664.4320422 717.9891612 370.5728846 1462.618718 155.6312673 73.52669892 1403.099361 247.049941
Protoporphyrinogen 5441.80726 5617.299629 5986.017653 5323.27521 5814.325724 5806.373641 4010.655761 3732.804433 4163.192151 4484.826825 4606.540261 4257.203586 136847.0199 138914.2448 137728.4858 151963.5676 151956.6638 141689.9036 192451.0005 185881.0236 192422.8102 194130.4582 190123.9444 193635.6164
Loquatoside 114.3395987 1906.836717 2116.942859 939.00986 1044.92782 455.8890548 575.2601172 1402.198961 895.0777735 946.879929 4569.522561 2873.677521 315218.0257 300675.0827 315323.279 319561.3283 284848.8924 306297.209 49972.82608 46298.29725 48564.87948 53655.07246 47364.25868 74927.98854
O-phospho-D-serine 28108.26833 29251.39728 25982.5357 26194.46341 29450.76259 28394.53952 36867.23979 32041.9607 38968.85731 40761.12898 36615.60492 41925.83146 38860.48241 35654.19697 36959.16275 36130.6795 40522.12857 43015.43112 80488.89209 81624.40252 94179.80246 92035.48786 88540.01666 96980.18037
2-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid 66383.81992 66527.39593 94420.83851 155663.0751 58469.07455 93014.30243 21915.60779 27245.50103 24965.12322 20254.17725 93512.43176 20782.06004 9714.974621 5608.078613 7094.530097 17850.84206 6546.445553 9873.356154 4278.797144 5218.086191 5005.192383 3462.882873 9904.770635 4745.834637
Meclocycline sulfosalicylate 57631.03407 62328.4803 61655.86931 66805.99382 65160.08634 62597.41798 38487.77749 33484.75174 38078.15662 33536.39385 32337.43042 31377.81625 22767.44756 67239.66478 55980.7008 66341.07305 66742.1244 68589.90647 35743.97125 45035.02711 45885.91665 49154.65323 47597.75983 50258.39168
2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro- 40.89636808 151.2916881 9.748510533 31.38540962 40.89601117 26.98665114 40.65843402 348.7093301 244.3730194 442.4873466 288.9868698 358.2840751 2614.935844 2309.01202 2523.282901 2445.735834 2395.554741 2091.881163 1255.295934 1498.528518 1338.867203 1679.688731 1395.817338 1793.129808
Relugolix 42.04053434 109.4468247 126.1697897 161.5371002 150.9653557 108.7955119 211.4602752 27.6972149 32.89034377 209.3923141 18.29993424 89.95371535 14.96972554 9.830025977 846.7484622 47.82067931 36.84697332 100.7736715 9001.331658 8989.655985 8598.064856 9490.130903 8179.076529 9560.755654
Granatin A 33.69109349 44.58829227 34.90687072 18.17804138 6.499198955 9.487370125 14.9378625 2.440317767 2.830430057 20.14502834 2.56481339 24.05262177 7.66957141 27.54069563 8.018158632 29.0097234 10.682611 10.70754415 20.60559704 11.77827665 8.889687828 30.06809078 8.479888072 29.85651959
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate 179033.7879 184523.1374 175391.3066 177709.7545 169362.2979 171506.101 169548.6766 171175.0973 163963.8718 165467.3615 167466.2727 172392.0522 94591.77309 89575.10995 87490.37851 95155.24847 89920.30467 88234.4329 28515.17369 27757.29442 28680.22931 29120.4958 30737.61681 30164.63908
Mevalonate 5-phosphate 17185.58441 14850.91331 16465.28794 4749.911121 14640.34564 10637.86226 5862.126466 2902.258429 3445.030299 5787.1141 3363.478494 2329.077196 269.5055949 135.3381551 113.4538636 444.3837525 207.8833387 337.590854 51.4916132 256.5784851 108.1593706 31.7029453 141.9558047 165.4711833
7-Acetyllycopsamine 5671.993049 8870.701179 3653.24363 4444.773474 9038.638248 5232.588961 1341.517888 2967.171618 1637.961738 1080.591808 900.455305 542.0256601 57571.66273 54439.26456 54027.36419 55241.95376 58050.29233 56000.68168 54254.31185 53269.97351 55366.68075 56001.338 54875.75631 57213.00306
Corymboside 89273.30581 99070.44781 94650.75316 97872.30005 100766.2492 88887.17814 93863.29975 97516.4151 104270.5246 99567.46629 104925.1905 99554.60198 184626.583 177042.3915 183249.4988 189869.6382 174964.9447 183100.4829 143922.091 114806.8108 114270.7586 146391.1669 114293.373 125911.8739
alpha-Dimorphecolic acid 7807.56986 5696.578467 5757.277071 7409.076073 6282.196395 7849.066928 5713.560898 6064.103538 6049.986028 6999.725758 6235.693663 5761.209181 31122.11994 33494.97259 26922.23557 32202.67638 34571.79551 29893.80736 15275.36642 16032.76836 19414.66219 16415.42446 16587.90734 23088.88963
(+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione 1010.611813 501.0416644 10374.69432 439.8260358 14096.10148 281.6165396 485.8072877 157.3700812 1170.62786 564.3512048 1677.81956 1412.974487 453655.7802 486153.7123 441824.9603 462151.4632 440774.1183 440533.5174 147713.4543 224571.6018 158506.0096 148002.1237 150382.2236 151002.5619
Quercetin 7-(rhamnosylglucoside) 103410.1275 110502.0873 110833.9552 108148.5165 103441.3255 103760.4747 165215.4148 136200.696 131595.0104 130485.8383 144240.3525 68926.17922 371.9340002 70.66762052 455.618657 7027.35969 130.176535 6659.158467 368.5253978 119.4839706 2206.596858 2491.701929 93.60371913 284.6536478
Manniflavanone 794845.9802 906469.072 829058.6161 1071787.674 941721.4775 791311.4496 45519.50865 36748.94199 2920.287763 42972.52363 43572.705 39186.90474 52983.04233 35918.25332 54085.53979 65406.06456 62383.17744 61885.30593 13282.81495 25753.86233 13986.51953 14595.89323 28692.39312 28607.69599
4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol 87.2942183 220.3524673 71.63818967 92.11212072 149.5348194 186.8137583 38.00094254 117.5262058 118.1546504 69.55835487 24.8120284 114.1447422 92.37905703 100.5120044 137.4146728 76.6914839 214.1762184 146.7223012 1134.897131 1277.808122 1581.40593 1145.581314 1089.77153 1175.595939
cis-Moxifloxacin acyl-beta-D-glucuronide 1050.57432 1190.447085 1059.293466 1831.174177 962.1061523 1717.282797 368.9851466 321.8432772 172.2445843 80.4742597 19.58124942 76.15286719 7.256631979 49.0492174 20.34924743 18.52541817 120.8011431 7.256595133 59.1646251 22.1728263 51.8809448 53.33149063 21.11737372 26.34840341
Dihydralazine sulfate 871.1212289 1232.433082 670.4317252 781.8435523 808.3126039 1115.484914 814.0986063 1087.409076 839.7150912 1575.344788 1560.182436 738.614113 3913.5552 4003.426021 2964.35531 3894.2513 3719.111638 2893.773723 3302.040712 1940.950444 3308.496246 3964.69244 3960.358624 5044.542243
Melatonin 35.07507619 549.582644 1506.166101 747.9221439 1096.151112 617.018587 903.1416377 1311.326049 501.2493981 1036.805382 1244.499272 945.00227 11288.74768 14352.42661 8433.834649 13390.8134 9764.244476 11422.61264 17671.237 20210.66024 20206.16482 38619.37337 19929.3092 20158.01745
L-Tryptophan 1301230.58 1283978.187 1327188.863 1364014.377 1280185.48 1293713.037 2287885.579 2266332.261 2248396.301 2292044.652 2419510.358 2323236.545 667161.5474 658523.3286 660712.7295 678201.0263 669816.8994 657622.7603 205002.9714 191784.8998 204101.1525 210647.363 195446.8354 203167.8406
Pyrroloquinoline quinone 342284.4278 323935.3159 325886.7086 319915.4516 332957.2062 306385.6838 283758.5723 279680.9309 283314.9408 263552.8055 287759.0727 255881.5413 105480.2938 109978.0771 99089.93571 112008.7256 101753.3347 101923.684 84215.41096 87639.05143 87397.41399 88885.27001 92420.77939 83967.82048
Uridine diphosphate-N-acetylgalactosamine 38.51153047 45.45131446 17.35739923 29.74825971 50.88869854 129.0857955 463.4788267 676.1572598 18.38230461 426.7900194 466.7317954 512.5296044 2593.793046 3312.107882 3937.252831 3859.648311 4191.275633 3913.067209 729.2143555 859.4871708 1025.254239 504.18142 947.568571 818.0074203
L-Sorbose 205844.9598 206386.6322 182355.2017 196020.4962 184561.1483 174376.8504 139545.7606 146778.1407 280631.5009 135218.3664 137203.8287 139608.5331 65970.59184 68614.54146 69261.30262 63538.18859 72404.48534 64100.13638 58457.83698 54261.96609 55354.94313 58259.56221 58155.77283 60538.50054
Ubiquinone-1 2223.48733 2732.866837 1782.899459 1479.421564 1384.633388 1947.997755 1434.761683 1253.564825 1584.867624 1207.352035 1157.771282 1480.565928 2083.366439 2013.457053 2147.532197 2110.495304 2281.787309 2331.783162 5944.982458 7437.074504 7214.726178 5700.920294 5980.694821 6093.492502
Bactobolin 115477.3787 116236.7932 108983.2216 114380.7061 112579.8186 113001.6159 152533.4066 150447.3809 149334.7793 151774.5915 152872.0118 147770.6415 10325.90944 12091.09636 8953.762447 9420.939546 125.6543409 11675.63167 5057.808806 3140.541507 3551.748571 129.5086643 2868.877903 746.727905
Dantrolene 107855.0629 102597.2452 96942.97853 141435.0288 100712.1235 96078.22594 136994.5622 139253.0549 97999.01053 98250.5147 101612.983 144661.2168 67.20052688 243.3811058 2909.136141 317.8545717 655.0986404 406.5343473 2560.581762 2423.729095 79.6674118 1205.768483 2075.467255 426.983945
CID 21723007 9480.935101 5569.223688 12246.2542 77234.14945 205329.3582 20674.41652 21012.23407 22223.04947 20677.28906 12340.46382 18158.08032 17281.89253 106322.6818 133547.1621 42944.28374 33436.81049 35384.79992 44874.43685 16293.25395 14767.8021 16061.2467 15627.73608 15401.46768 17605.50718
Felodipine 17459.40695 18646.82589 19629.63015 25046.82001 22620.02157 17990.93999 44059.60934 42552.6525 46403.36616 43808.39483 96438.51995 93014.2132 75875.50284 77673.44736 74355.61419 81326.21509 82339.76868 72748.83345 75790.5897 81324.41761 252131.1356 83972.23232 74558.26086 81250.87715
Oenin 19549.51675 9869.636314 11677.42503 9826.292136 7505.070449 9029.235485 14338.06487 15310.03606 12137.82896 8291.335482 15717.77081 16760.18666 215402.0068 212073.5059 224441.5797 225251.6532 221222.7539 203117.2695 153339.8674 165461.357 142572.2258 164852.2191 159967.5591 151715.2117
Tyr-Pro-Phe 30388.26953 31611.22954 30095.49296 28563.68119 28365.38902 29229.6521 27590.28897 28530.32661 26824.73526 26075.34356 27740.27337 27610.14833 8420.698731 11289.76303 12423.67271 10339.25284 8962.148674 10480.91717 12805.99365 10115.47809 14178.838 19697.62362 13534.12596 12386.07384
Phe-gly 102726.6982 104859.5603 109480.8439 109387.7272 97007.12121 103405.8418 30455.08682 30509.66411 28647.60246 30710.94681 32510.5341 29347.49799 47445.79352 58520.12742 43782.5572 44018.15887 46317.67233 44302.2731 10620.08143 5041.429826 10256.69131 9342.11299 9799.967312 11178.36921
(1-methyl-1H-pyrazol-5-yl)boronic acid 17017.19751 1496.876981 17838.77585 4854.537057 16728.7171 10730.8226 1069.817506 1840.758529 981.9572648 6681.693643 1933.797234 1243.512112 4663.849865 6125.258765 4807.58298 6147.179283 6191.902588 5406.857599 12066.11961 13365.38931 11771.32562 13111.92173 12282.87059 13066.32987
Spiro(5.5)undec-3-en-1-one, 4,8-dibromo-9-chloro-2,5,5,9-tetramethyl-, (2R,6S,8R,9R)-rel-(+)- 3301.044606 3151.536764 3413.785893 3078.291326 3408.406361 2601.166585 2589.152206 2234.925201 2201.625722 1889.556426 2257.509953 2369.455573 8891.902392 9435.943339 9382.283542 10247.389 10995.38673 11097.91205 17355.55087 16470.36545 17973.95387 19878.87241 18625.25341 18699.69138
Henryoside 84.72624089 1121.46426 3476.090938 1129.547748 464.6468532 448.6625641 1013.242225 467.1461198 824.5315093 1005.724918 1338.111297 1091.642243 21406.42982 38918.53008 24817.93957 30488.53584 29951.72927 32400.2805 24594.45315 21401.19495 21301.84465 27346.85407 21898.68562 28368.4123
Leiocarposide 4661.604565 3190.832472 58.6653512 166.3875421 5428.117856 7008.668148 187.8470009 207.7102051 12084.29885 312.1841025 493.8710064 240.0353305 322643.5235 337415.7176 322681.2467 354665.0948 340318.7505 355447.9874 95070.4178 85008.18209 94403.70508 100313.2355 99265.00541 107498.9115
11beta-Chloromethylestradiol 1103.349581 421.5833689 478.3933289 896.5783938 682.2027572 34.13566895 226.0687376 161.7276008 219.344438 16.52939091 171.6635988 170.7701589 150.1076423 257.4346959 369.195259 145.8513999 132.9951871 31.25392157 7354.723767 6971.598036 7260.390077 7066.599997 7381.254968 7370.494052
Nafcillin sodium monohydrate 35.59201012 1309.471189 1473.382049 1338.97494 52.18360882 99.68389999 929.3691251 972.7237876 224.7908936 1169.813943 983.6357838 135.475737 28207.58142 36792.25907 26812.39496 30246.7651 31897.8727 28453.06015 22284.84318 20838.77884 21408.61091 22345.57988 21758.06562 22631.67073
17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate 1303.551729 1374.964405 1292.017946 1791.794227 1547.776203 1757.551426 1948.111871 2701.846802 2944.291808 2166.584362 3750.901305 3400.326835 158.4698646 200.3932287 171.8014269 224.3533988 170.8752173 233.4970407 22.05269759 20.70637863 126.2590665 13.84706982 72.61563321 108.1026283
1-O-(4-Coumaroyl)-beta-D-glucose 259.6682594 10695.23256 9038.299963 92.86815976 97.80805944 13117.00836 590.7936727 111.6389922 9108.43809 9282.671554 10291.02197 465.4926557 318624.1157 314295.1388 308573.2881 320101.9974 318095.865 304219.6151 689531.9934 706357.1619 741481.8079 700902.1596 676848.1687 678820.7159
6''-O-Acetyldaidzin 7284.342957 52527.48472 840.8934744 42451.12289 5337.506017 6204.728285 61117.54757 62354.63323 58621.37026 52139.76931 54067.0765 49179.3356 471274.3181 436860.4283 456096.1648 505262.1022 523698.703 494545.4895 42635.57728 37740.43702 43244.53721 42688.67998 40211.54046 45485.09213
L-Histidine 28777.20631 28846.57375 28509.62575 25431.11062 31117.07948 28286.81407 28486.21587 31237.957 29032.11687 32366.65719 29609.17286 31225.53381 21073.09733 22766.09999 21570.95496 22636.50635 21000.73418 21566.24235 2323.059018 2518.402085 1930.04135 1777.350193 2217.307774 2274.847891
(3S)-versiconol acetate 184352.0252 170345.8128 156795.8758 126469.4003 164622.6857 178088.4875 148939.9309 172227.6055 123566.1379 173877.3407 164677.641 159471.5738 155673.707 165414.6848 178858.508 168419.4341 179538.9523 168059.7566 167706.4518 156834.843 180736.1463 181323.5644 160115.6227 176252.4252
luteolin-7-O-gentiobioside 36433.42113 36871.83676 43658.53733 42575.33367 33550.51795 35286.4256 63706.83554 65344.72867 59950.50429 57590.10737 65982.28882 57491.14491 455.3772834 5885.774505 1854.810809 585.246138 1527.309374 1804.196922 2477.018728 832.8330045 3213.563594 221.4445543 1010.656585 2894.421275
Troxerutin 405.5637624 298.5985598 495.8124806 214.1400166 253.5743973 286.2899726 522.6019419 503.8618954 489.4852572 599.7264921 465.8465506 573.7250165 4803.218298 4731.544457 2115.37972 2206.219673 2105.363083 4899.705565 1412.090875 1167.235675 1936.166021 855.2685991 548.5020303 2854.614471
Chicoric acid 24967.20989 28195.67367 16889.60412 28652.52991 49060.82666 27265.9489 13281.84166 14771.83504 20052.54087 13163.80299 14941.99874 13710.22445 23797.2028 23025.60174 22596.3585 24852.34827 24390.34324 22999.86817 3644.154316 2978.668627 4670.463442 4574.040318 4531.065984 5471.725142
Silandrin 15783.02096 16287.17037 277.4089107 13934.713 150.2972165 371.8088588 90.26115813 454.8250517 31.46709928 285.6886693 269.1268657 13524.07684 227256.4872 175581.8145 184782.3529 187545.9928 153341.001 219654.5127 625078.294 647563.8629 702379.4581 782565.812 675131.5754 782011.0141
(+)-Silymonin 19051.10858 15198.5293 13481.06503 12028.27698 17501.45405 12414.21563 12990.17672 10780.08746 14699.29972 8571.153248 11264.65586 7282.3775 9274.715515 5343.22534 8409.414004 3271.527647 9395.4753 7440.221663 1078.716873 3315.902674 3844.226316 1382.378782 2786.663668 2317.130558
N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine 84301.68125 56824.55117 87112.07818 92133.89078 78606.96775 94530.09929 387390.9393 372859.0863 374624.1322 400144.1824 384046.6636 386829.8543 51.22662919 63.02241232 3609.179599 69.99358022 26.39964378 41.00370774 572.367985 471.6000021 487.4407181 688.7532725 313.8744875 1931.920334
(R)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid 522.5054324 410.7101224 596.589385 262.1619501 667.7974004 158.3109827 269.1490362 474.1704879 778.9907299 565.9414297 336.2448962 151.6104899 1130.961996 2397.636415 2300.086843 2746.304229 2055.551599 1953.047247 2872.115234 566.6266216 2571.230387 2537.087854 3821.69185 3219.781701
Laserpitin 704.4846386 285.300204 356.9495296 527.8253896 382.861985 551.2325455 286.689635 78.14727876 135.2755199 86.7706149 384.708572 296.4055224 5975.546773 5292.299735 5090.804886 5184.922654 4537.002728 4227.200641 8313.431566 8531.563699 8238.268472 7978.139588 7640.018408 8134.835925
Sudachiin A 7722.609862 5123.553395 1803.638585 17368.96854 2608.785172 3808.368854 1044.671878 20281.74155 11295.50613 13451.15904 7775.854225 812.278506 676374.0349 615700.9793 647008.9433 650892.6436 649172.9882 630916.0888 187069.5818 8783.289687 219795.7134 216346.8573 215118.8729 219624.1936
3'-Hydroxyflavone 35994.4911 33957.18945 32453.89035 21877.54101 23153.07126 36885.93932 30647.25764 33368.00833 29286.29234 39608.77542 35377.21925 30872.31068 14094.28411 14238.61986 9843.276899 2975.308795 17075.77894 13398.4469 10045.59329 9473.949107 4866.236028 10638.55956 9033.608401 7618.205376
Pefloxacin mesylate 542395.7069 408655.9268 516588.033 479959.7363 445677.1863 322138.4126 303674.6577 420436.6641 281736.0311 416657.001 398529.4172 365834.1525 150.3014392 18.16698135 76.54417368 39.24072504 7387.316772 18.16701982 43.23753001 4857.729981 174.0406316 6986.054941 33.79066801 7.630152571
N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide 23990.52602 27752.22351 31227.19773 30626.00219 31341.69594 31154.16055 32049.299 35705.70744 28609.14658 40714.15043 33423.76477 42305.26525 1010.638259 1788.828168 918.4471407 938.2117844 1014.206427 906.2664757 152.390363 563.9386513 493.5368288 594.4205831 1133.059522 840.4115239
Sciadonic acid 109501.8997 116898.2665 105712.9669 110197.8892 99721.99878 91005.47939 149362.0889 143856.4375 161617.326 183663.2323 165896.096 169829.2366 169710.7543 161638.0155 153008.662 146087.1787 177104.8438 178090.6117 198721.3059 213172.1144 180792.737 183333.6945 189454.5013 166227.8072
Glutathione 3361.292351 3241.431007 3523.413405 3968.667696 3928.440959 2534.963217 3817.616356 4490.436297 3893.111448 4681.743939 4697.549706 4283.827843 3565.037095 3506.188037 4227.688822 2616.388517 4349.671921 4024.532469 13632.55459 13176.90619 13796.80487 15498.7688 12800.58455 14558.03531
Trifluridine 3263.06574 2996.256537 3153.832755 4614.769843 1993.070196 2574.111015 851.3951921 1707.813159 1594.106605 2105.791816 1324.239388 1202.128563 54653.30199 52311.38178 52642.32921 53663.03522 53255.37352 50582.59221 132604.6463 125416.8296 133460.4686 133780.6462 128114.2138 134600.1666
Petunidin 3-glucoside 96550.11668 106748.061 108531.1502 109171.8861 108231.009 106712.1277 158056.2938 186139.8601 164475.689 165753.4737 184841.1584 167840.697 65937.21996 67604.53807 67360.45391 70221.46473 65446.75698 67275.5264 50399.40254 48901.54072 51967.60007 51227.69073 50210.34938 51851.67013
Fusidic acid 5290.086024 5380.72536 5797.890766 6141.865855 5322.37941 5868.235217 4513.113938 4774.753256 4919.44132 5205.896143 4364.30035 4477.635424 5097.376801 5199.660676 5227.956409 4334.362506 5756.139224 6125.095271 7426.880279 6933.304491 6467.409781 7222.501478 7137.187568 7115.000261
Swertiajaponin 21638.4745 18284.16967 11603.87874 22255.34304 13454.68152 19315.94599 7557.130735 10786.13155 15029.69586 6368.641938 4307.647084 2946.802984 9063.581484 8223.046123 9420.987908 10436.26478 8898.230533 10133.8627 3170.164596 3351.71032 3194.028622 3014.700464 2320.439096 3505.971985
Kasugamycin 737.5392324 1397.175592 689.2983756 947.3917654 815.2812026 650.2291722 480.9058052 356.7712751 731.8621133 300.2439449 205.419205 587.4116641 3320.803917 3587.015629 1783.172945 2143.38052 3423.997078 3861.19639 3255.948259 4161.014632 5341.633238 5419.404289 3982.498356 2822.802484
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine 6154.623738 6313.031573 6510.897241 6810.424796 6000.60869 6419.501569 6754.937421 6660.390988 6788.619567 6685.35829 7309.84066 6664.954036 36306.23786 37920.67755 34079.43319 37166.10476 33974.75079 35673.95884 26085.84033 27470.39205 27878.34503 26539.62199 28494.12059 28033.16187
Cefotetan 1642.019827 827.4647529 619.9658377 1706.03174 977.020548 790.4888185 642.575078 1525.132232 798.1053132 778.4255453 565.8605977 741.6972768 16212.87975 11930.31317 15214.30059 10892.91852 11485.92485 10282.44207 7186.517825 6252.491049 6462.132323 7162.842242 5919.335077 5468.419634
6-(2-Chloroallylthio)purine 28477.3435 25700.58577 36742.95092 36116.33987 37262.49902 40635.72808 29030.69513 33890.33941 12171.59741 43843.31701 41659.65364 43970.79317 2850.243767 3591.350434 2489.506334 4182.411293 4708.172176 3558.811432 270.6222488 256.0756279 509.771962 162.8291253 338.5590412 218.6017986
2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one 629.3253423 169.101854 165.4239806 306.8910834 209.8497066 235.6310403 563.418093 109.6678761 1767.896049 1017.836214 1244.460846 390.4804372 15087.65433 16117.71001 15981.428 11175.75984 17665.17859 14797.34927 22457.55741 22830.63129 24145.18801 24493.13468 24359.18674 22456.04317
3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one 31672.70223 28993.49 31132.87524 31009.10068 24346.40608 31375.19751 10489.50297 28473.57195 27529.82938 26772.7806 28561.37793 27497.75367 8930.83166 9747.856808 8608.982148 7576.231294 8720.016468 9087.902042 14288.65474 14361.24594 14187.03023 18147.4719 15328.51809 16235.19004
2',3'-Dideoxyinosine 88580.68478 85801.28327 96605.49299 90885.33677 81276.38149 91816.01616 110347.2019 116509.7676 107948.6129 109113.8639 114164.1316 111449.4199 1769.025814 456.1775736 1682.044088 1461.212658 2678.537951 3814.410263 553.1393234 563.8392547 450.7627629 456.327458 626.7214781 487.982977
Benzenesulfonamide, 4-amino-N-(4-iodophenyl)- 13024.10795 14172.55487 11427.04286 14568.75279 15432.12763 16030.57593 26828.96547 28854.72585 24073.52088 24893.88023 25573.74204 22520.81161 645.2753097 2420.836069 1964.279656 1251.685947 1062.317247 924.4583058 1707.666639 2143.505619 1181.647418 166.1361223 618.6474752 759.9830596
5,6,7,8,3',4',5'-Heptamethoxyflavone 108158.9362 103159.3808 102749.4475 103067.9679 94843.17735 104820.318 57731.84284 55289.1669 58641.85154 59996.45794 56831.93415 58142.59817 661.9010588 646.3133521 355.5998079 692.8314892 739.6813831 642.6300185 749.7368198 1529.647819 1961.468812 2343.983174 876.9587757 1527.949858
Quercetin 3-(2-galloylglucoside) 52121.41559 55092.25665 59053.04327 57074.47364 57969.60254 52313.4778 74536.86979 76388.34052 75360.43885 70914.41164 73289.27168 66431.80168 581.6990881 8002.905257 148.7789092 2297.407467 2537.903271 3974.926285 949.7363839 2705.187666 1741.872182 3516.34623 3594.311884 1567.279417
Estra-1,3,5(10),16-tetraen-3-ol benzoate 2263.517409 1285.011085 830.7589373 1363.085603 124.8961758 1646.011595 3333.360901 2970.473258 3629.994708 3722.620508 3866.389627 3086.859025 5370.927074 4987.024669 4704.685987 5480.431631 1559.392086 4958.846465 28082.60815 27868.12367 28035.59665 28198.49255 28001.301 30079.52496
Thymopentin 12164.84977 12471.73755 13239.77291 12517.7699 11968.32881 12367.69869 10114.18629 10988.01665 11526.09776 10164.53951 11416.31371 10763.37965 48714.46351 46860.09915 46426.39651 46957.23072 50296.41824 45193.39074 70340.50454 69429.46491 74374.59231 74092.35736 72281.80923 73686.24875
Afplef-OH 2524.86954 2266.477944 1528.402858 1655.803289 4209.4234 712.6759154 2639.338704 6107.832341 573.6979931 2307.35987 849.0615055 2936.388672 104073.8481 103457.8909 106854.9081 112763.0991 104320.8773 107490.4022 305787.6428 280925.0448 302874.8824 291716.2268 292619.7888 300159.5388
1,7-Dimethylguanosine 4642.108619 4625.185615 5042.52548 4677.879252 4570.121618 4810.711236 11300.72632 11566.23269 12375.29793 10727.60288 12234.46959 11055.72624 7474.468111 7229.132165 7715.869109 6102.021733 7067.946683 7388.156983 3981.419933 3562.314345 4011.418777 3611.68024 4176.69305 3575.070379
1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene 5109.258528 5526.080958 5304.357648 5492.567458 4294.530447 5369.053427 4456.551081 4973.15779 4842.069332 5216.252577 4924.456486 5303.311056 6053.359393 1715.776827 1975.589529 1683.438148 1202.104246 1723.389052 1293.285418 1032.188214 1700.498428 1495.972452 1702.035058 1455.601692
Pentitol 270.9302736 401.7431972 187.4368705 177.6711569 834.9514666 676.9434308 570.2951221 62.2393715 1545.286548 340.8748043 22.6892834 933.5270709 40218.69235 41532.72975 43417.94932 45832.74607 43480.09872 45523.10221 71843.00388 68769.72145 73147.02817 79590.15927 66301.90771 77139.50971
Ethyl 4-(benzoylcarbamothioylamino)benzoate 14930.90762 15416.48028 13598.11492 16503.13693 13495.07485 15388.82016 10422.99392 9567.206924 9431.827518 8341.792594 8999.208622 7927.588276 10081.25472 10001.29298 10126.84698 9336.411255 12069.37921 10126.89816 5426.191511 3617.786929 6170.09033 5287.11427 4771.202607 6258.541862
Malic acid 20683.17797 19022.17843 18948.55366 18749.8807 17985.41903 22850.68413 11104.85418 11377.42521 10162.13695 12232.66272 11907.32522 12081.6534 19764.74425 23030.37978 24447.64584 23511.76156 37029.15039 23893.04251 5393.870956 8600.9161 7452.983927 2883.2626 4756.853054 2669.463281
5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide 11265.43448 10947.01988 10382.33201 12483.81396 9780.331955 11369.0355 14746.28813 14885.24233 10518.66792 12797.07818 15278.17149 14398.58081 737.4423844 746.8356008 490.7974963 277.4912019 203.4787347 236.1255008 363.354097 742.8140497 122.0872847 257.3671086 321.0942172 207.9508163
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid 71200.25129 67441.73008 71025.55823 70830.69309 65062.86424 66330.34943 48348.48203 46342.03588 47797.36883 43837.56875 48779.61181 53159.393 3110.261903 4036.393122 7527.427674 4188.301831 8171.116237 8036.534822 1351.891964 2808.665927 294.2028589 1363.577637 4026.730063 302.0221502
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)- 3269.416957 833.5778504 2512.434928 3258.836576 2400.631443 3955.326619 12850.44292 15791.82576 14231.44995 11614.98129 17642.32009 13907.57437 28920.71056 27601.44477 27331.38274 26373.14436 25883.99939 25252.55681 6304.20556 5184.02399 7155.985776 8940.05834 5589.441537 6732.474219
Creatinolfosfate 398.982653 40.7749909 242.0914571 149.4513948 160.0287368 330.5198844 323.3952142 21.70888379 44.13012069 268.42287 334.1925 17.97048927 2721.03961 3440.340586 2028.642108 2556.405001 3571.27316 2939.48668 1418.779749 2026.134067 2115.319986 2304.651081 1871.672716 2493.784375
Xanthine 431.9586364 531.8426023 185.1700793 706.7161734 278.3470574 659.7419917 6367.02968 6580.332292 4186.590445 5319.834641 7925.530901 6493.128317 23831.77934 20799.05417 21021.15915 20627.82918 21355.48404 21637.373 149524.1407 156533.8 151711.2645 163334.8083 140507.3689 160961.0153
Ampicillin 290.1141472 301.420749 120.7741073 379.9128873 207.9088906 177.4652782 21.99938573 19.94839756 14.08083814 21.44469839 36.34017277 24.87595788 1.294276083 8.89006228 14.19030187 4.849864656 9.873375344 13.81268584 5.14851373 4.120939584 8.993516076 7.857909876 6.382861471 4.549567694
7-Deazaadenosine 147011.7087 151421.3588 149557.2846 156138.956 157222.9196 158823.8113 150564.8132 157106.0056 157005.7918 158855.6671 156548.067 158028.0313 13317.40417 11661.02405 11749.30383 11352.76116 11009.95209 11095.18706 21411.60694 22775.28377 23185.23565 24544.09171 24308.53352 25647.07477
DL-Glutamine 1719.060156 1365.594196 1595.119999 1533.39689 1609.583761 1412.419946 180.2119555 603.7723959 477.1327 148.3176229 278.0120653 819.3035984 133.4613575 130.1336111 140.748721 180.1222809 153.4799574 9.406758531 49.2244615 154.0869694 104.127571 99.01797373 95.69959733 63.59948799
Gallocatechin-(4alpha->8)-epigallocatechin 30664.94645 24445.73709 24333.51614 24676.52885 25756.41444 34291.47232 31449.27606 28346.89524 21956.28337 30669.19508 28394.10166 27804.86909 12206.9668 8044.879552 9126.993646 4825.270329 12347.26774 8708.724878 5171.260694 5496.768893 5614.644862 6749.281854 8637.403141 2816.899423
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide 9910.262455 9283.721464 7325.977937 6577.210223 8921.692815 9488.81081 8601.760762 9311.173663 5772.978248 9549.314207 10269.07717 9978.300499 8991.114144 9141.844999 10467.55432 9156.733172 11474.10996 9575.156127 28003.15053 26473.63265 28082.39046 29727.45401 26285.59747 30151.91236
alpha-Phocaecholic acid 1853.298145 4755.44223 3874.66579 2044.14055 2139.0161 5744.380648 464.8955257 1456.852174 863.7615737 586.0951723 2326.153936 570.3401763 508.2897787 22.40221444 560.2814799 118.2047518 22.40224226 370.0433284 247.4180383 758.7384367 690.3582655 659.7324718 930.260879 367.2271005
9-Fluoro-11-oxotestololactone 16784.55309 17046.12638 17331.46819 19091.38503 17262.21808 15485.16681 15509.0754 16278.82866 16587.65554 15302.63415 16378.7941 15326.61745 6514.761284 6348.711818 7760.823452 9468.187392 7189.343436 6385.752077 2475.11796 4264.369653 1411.130182 976.0811221 2140.739267 2924.682701
Kolaflavanone 129943.9431 131126.3206 125651.3973 124726.226 112071.0157 124542.169 100517.4834 104441.0345 101572.8737 90095.1634 96135.3399 96023.00889 285.4916373 3761.737428 7353.760949 2782.505368 3086.831934 219.0809879 3052.873981 1566.944769 2794.178416 2944.122957 3352.037792 424.6114891
PX-478 free base 13573.58947 12789.74173 7662.059189 8658.943373 13153.96597 12776.70575 29867.8503 19264.34999 25154.09926 28984.70273 11683.8312 22364.81124 20398.14225 17417.88492 27518.96882 20686.56391 16895.13408 33120.18668 22519.37846 16883.28476 46482.87484 35334.84894 14294.36184 35025.89975
3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea 259785.9307 261019.9412 254053.3375 247255.0388 247099.1952 242616.4438 173745.4696 185483.6654 180719.3011 161242.6358 165512.1642 167985.2662 20908.06834 29811.25562 20332.16972 23473.24724 17737.42437 23563.95281 92.34495974 88.71200704 16919.37282 17605.96538 19170.27395 19088.2142
Cilostamide 99.10203328 235.0713625 188.00106 664.2049563 281.8368029 366.4813619 795.0240893 537.0527459 574.2169662 415.6917262 712.0419975 967.3545197 4793.631823 4576.420156 4271.871361 3430.106217 4618.761651 4817.575169 3133.476392 1249.755755 2152.778188 4977.253774 1701.652001 2858.952971
mollicellin F 4130.513042 2160.153315 980.2052675 1588.437933 2414.092025 1427.594661 3308.029156 2863.132818 2651.587263 2679.332784 2635.572976 2611.612944 1079.215928 1458.478249 1549.726672 1634.838318 1310.481694 1070.039498 522.6697418 779.1343835 840.8870795 833.839781 752.0462782 804.2601646
Edulone A 50355.55985 38338.95893 39299.32864 37319.42055 37961.86423 54543.2637 15203.50873 24872.3588 1531.815781 26633.04354 14469.07463 19384.84838 13177.27969 12555.2584 23478.93379 14544.41131 18521.0289 11092.12918 6417.911799 858.1106773 4517.227567 3067.98587 3087.790845 6057.037248
Ceftizoxime 407.7392385 362.6078756 237.254735 651.5377822 318.8420347 263.436637 133.0258052 143.9646698 35.4998457 124.4320139 43.10595367 54.12394925 2350.57021 1597.03647 997.8282558 1142.773566 918.833387 944.2579767 85.89690549 218.0796298 282.8378874 257.3701934 113.3415227 261.8491665
Amlexanox 65324.7313 66656.17027 67629.50633 67379.31407 65197.77919 66616.05499 64810.1964 58285.86757 58371.12974 60580.55504 61594.14001 61819.10084 100349.5882 95375.83395 95016.31267 100043.4359 94753.06651 91147.25085 21084.14287 20205.17764 22492.40751 22091.32382 21058.3017 22618.7127
Zonisamide 502936.9324 530378.583 515998.8001 525447.4681 522561.9588 493339.8424 318547.8382 311594.5661 313992.5243 316291.9833 329478.4779 324788.1024 3083.962899 1901.623222 2576.998706 2672.017068 2162.760439 1060.453277 12757.27577 712.2175496 903.6588373 1334.347926 288.691223 204.5974218
Lonchocarpol A 2034.507888 2440.948712 7925.971912 1302.816721 937.328758 1369.172719 3113.768734 2792.109601 5296.341854 3940.080085 3276.894005 2888.204917 5968.412615 5226.95182 5372.689102 5350.03829 5198.579313 5035.672498 4666.752643 3918.562507 5440.328148 4741.200342 5418.828185 5170.571744
GW4869 dihydrochloride 2772.370044 2660.133289 3918.230819 2453.356526 3794.882983 4005.664833 6962.615542 7526.217035 3572.863357 6744.288086 5586.238595 6693.385542 17681.2579 16951.57856 18990.74155 16620.434 22915.30111 16776.72863 27345.65985 26345.95034 26579.67673 28226.0715 23354.92372 29682.78529
Delamanid 6351.767201 6894.07063 6901.186867 7796.516812 6584.13744 7409.464635 12377.54897 13081.97924 10197.04402 12084.66449 14341.32298 13346.47561 7638.246737 8410.233973 6975.236578 8983.23771 8241.002309 9379.450689 3098.425462 2271.295165 2414.072498 2779.746078 2340.738999 2027.163175
Versicolorin A 264.0283362 370.2579713 223.415122 196.447571 623.7802674 206.7665668 151.5581095 686.5393047 157.4069895 237.9725661 57.43254553 435.9655951 632.2918038 761.9102766 265.6257257 181.8697059 739.1768588 536.0377567 5796.757413 4791.560069 5402.40338 5575.386109 6373.859777 5405.343758
s-(p-Nitrobenzyl)glutathione 4148.147856 2603.835521 3648.208263 3573.92226 998.1657366 3284.967235 21744.67562 22456.39176 25746.34958 22247.68279 24969.18843 24021.67057 2815.590558 3044.33067 2426.485695 3377.676197 18.93790504 3387.620342 630.7253803 65.86096055 96.34340552 156.7565651 22.05096866 913.0968996
Oxazepam glucuronide 963271.5149 848703.1341 962479.8728 1080727.335 773538.7436 961705.9751 485316.606 1028889.703 955269.5533 1113.586261 1151746.707 955.0908641 3478748.572 3900814.31 3595472.672 3810703.833 3685587.426 3582480.904 14415435.3 13522845.37 14786418.34 15278207.42 13797018.15 14174446.61
N-Acetylproline 77515.23986 76117.09616 78717.29202 75891.44407 77392.81146 77978.9534 68233.24395 69053.37236 68456.65053 69325.37145 71056.55558 66770.89586 75605.32601 73082.67523 75419.167 71189.32914 67884.34352 72308.93515 64026.70571 65462.48166 66193.52145 68504.54326 64455.04768 64710.92054
(-)-Gallocatechin gallate 40436.93935 8854.369375 27951.46043 25751.8401 20459.36104 22548.03389 34649.25321 32321.73832 22558.55137 23036.26601 23117.23797 19750.52418 1304.938492 706.8225091 178.5117876 212.6811759 422.6797824 338.2988246 253.0435527 277.0242759 269.02986 98.33078898 278.5646429 213.3233965
Aurantio-obtusin 5520022.001 5543005.062 5780956.306 6311575.079 5123280.423 5507789.232 3583258.768 3642224.873 3379166.789 3366162.236 3406506.876 2934476.868 1300.886843 8344.024875 6166.540205 590437.293 571065.0317 542583.3125 11676.92686 301579.7697 346.9343551 283049.6027 6387.409149 331664.8609
Epicatechin-(4beta->8)-gallocatechin 111018.1927 119821.8492 125929.0078 122793.8568 119294.7427 122875.4398 61270.88295 61673.69535 59709.27199 58005.45605 67529.49242 58027.15665 1294.218688 3765.388228 1084.01254 5710.294705 8835.442542 9034.172537 11743.44453 10294.92018 6928.478931 5179.765488 3120.474479 4789.577176
cis-3-Hexenal 935.9756273 635.6602396 709.3460325 272.0610337 163.7302182 2312.620607 638.4289031 2652.258209 736.4118848 363.9704833 4781.497839 507.0099508 53486.00774 49584.07545 50030.37592 53168.90015 52130.48736 50740.53638 54344.98174 55942.18779 57276.97015 52778.61175 56647.94238 55321.60916
Caftaric acid 60016.15122 57875.35311 57489.39442 62980.00951 59023.03664 59936.29562 58170.20141 59553.60918 55523.73243 54230.61944 55611.33399 53922.36075 902.4281587 2421.887621 3015.360117 1840.628787 1079.967483 877.5077327 3703.39418 2134.647867 3826.115687 3336.017243 291.8628263 3499.591069
7,3',4',5'-Tetrahydroxyflavone 20322.42492 32080.30795 31361.88438 32383.21097 23098.70494 16662.32518 10441.4946 28817.91433 31461.01982 31674.92709 14756.96683 17204.40271 6421.889704 5379.007353 4301.666978 6458.410752 2954.607422 3841.397926 1162.304849 1402.776561 826.5401759 1545.640428 1763.523888 1651.88032
Neocretanin 2339.971506 2444.429382 5120.708144 3071.822721 1495.70738 710.1806316 1050.733148 614.9591912 742.8430227 2063.92234 750.3135006 834.2965821 75672.42572 71473.86419 72102.83595 71270.27499 66335.4197 67319.43486 12531.49379 19702.57384 20935.60547 13581.9632 31013.09028 16245.13828
Bevenopran 14455.38233 13081.20447 15770.92002 14107.28211 13389.59481 13203.3243 11074.39398 9769.262504 8930.076234 11001.88708 11689.89289 10030.78364 17722.72381 16079.77592 16030.88896 18354.56826 16334.88437 17249.5029 17749.46788 12237.03273 20820.55298 11690.27251 16547.65287 20352.7046
13(S)-Hydroperoxylinolenic acid 7594.293109 7792.327753 7118.28265 7600.19092 7137.886327 6590.778159 11959.67939 12273.8464 16475.64107 13061.1407 14434.87956 14057.07946 24129.66802 19069.06016 26524.13701 19716.60839 19249.07345 19625.24686 29125.76222 28238.64519 38479.81977 30672.63003 33226.45439 32352.34727
benzoyl-coenzyme A 108494.8634 101494.7811 105188.7899 100049.7703 92901.46225 99745.20823 75563.43022 74989.3884 66621.84976 68109.41623 64810.16501 65003.39787 4402.800688 13719.02464 14327.24061 15385.22224 21594.32087 18450.06607 7751.030002 4916.691172 14949.14609 9929.166507 11842.55744 11628.99454
nutlin-3A 10910.474 10796.37338 7430.630099 12064.89758 1205.810688 9813.452118 1117.206361 2827.071323 5206.416481 1758.042215 522.234737 6176.403259 99641.71889 102257.6426 90267.50794 103130.1478 116828.7015 108847.7293 79367.91439 57954.44707 68665.55155 76977.44257 62148.48283 87805.58801
Xanthohumol 7441.848904 4261.203101 3940.232863 7108.969118 6965.128858 2778.781325 6705.277513 3238.209057 4090.741894 192.224875 4207.19392 5530.461956 131856.776 126358.8572 131558.9064 120124.3009 124100.4833 116179.5148 189158.3051 147798.0435 152961.7622 142686.1874 142960.3447 148328.3601
2-Piperidinone 10134.61498 10743.20534 9700.162177 10571.01639 10778.75672 10837.30513 9851.067378 9710.62843 9670.135828 9898.233951 10372.21282 9517.964077 5237.55663 5924.22273 6199.984005 6568.786441 5661.811357 5612.246258 4521.976846 4150.891384 4218.398008 4645.839774 5179.884086 3253.217734
4-Hydroxy-6-methyl-2-pyrone 17712.14171 15934.49173 18286.02841 17337.95537 16685.68169 16285.87745 22696.48519 23359.25712 23542.90602 23696.5499 24674.19982 23947.77815 34332.71438 31903.06496 35628.83475 28132.13445 35099.40909 32423.07228 32836.44629 35081.64484 33250.27007 33497.42954 32465.10918 42609.95995
D-phenylalanine 864559.9525 830192.2382 903317.9789 876826.9079 815894.1188 855521.4108 1335051.944 1403324.667 1386045.88 1365723.285 1362604.395 1365959.866 348380.0957 347813.7415 355092.894 353121.0212 350932.495 340684.9439 407887.8354 384441.8381 429129.7789 404175.175 393206.7128 419464.3924
Madlongiside C 236.6724619 191.0745202 62.2782018 32.59658288 152.1179183 266.0005036 80.0343728 224.2233573 387.1047866 239.5723705 159.7948191 166.1625177 7009.623776 6698.804759 6406.142497 7361.788299 7368.139619 6042.929539 9049.014685 9046.406241 9030.093001 10331.34403 9830.711858 8413.114806
Fenoldopam 1933.624357 1011.351423 71.08953309 356.6521796 2173.779136 552.6095898 114.9295884 221.8824103 1188.097019 2049.353838 209.4077438 2556.66947 36808.49703 43191.12459 34953.79903 39293.75198 40196.03163 41583.10626 57213.09151 61583.66061 55238.74462 63137.75247 55164.66199 60572.89374
L-Homoserine 855.0408611 1162.463326 1621.506882 900.5965084 300.9495966 1264.337774 1292.920793 1000.162836 1499.919851 1042.624221 441.5346666 698.4674564 25014.48985 25285.26139 25423.75579 25012.12123 26148.13653 25760.27773 50993.56121 48747.58837 53485.2561 57191.23686 58360.35734 52335.25026
Fluperlapine 47210.02794 49344.7468 50370.26566 50492.07248 44652.81135 45671.06336 19855.2197 19368.71715 20011.54866 20258.9873 17081.13513 15729.5897 237226.4502 231708.0432 225297.9194 228361.4816 225454.5609 227000.5617 331121.7952 317455.1641 346828.768 328028.9853 314198.0975 325444.9907
Triamcinolone diacetate 8725.204858 8239.907013 7194.694912 9121.68482 8739.720888 8443.075199 7468.569435 9067.735757 6277.729382 9596.163751 8577.764168 7206.604366 7077.532564 10701.93109 8971.300442 11026.53584 8791.10817 7141.92337 12913.05597 15627.2774 14361.91934 12891.84704 11576.33514 12523.49824
2-dehydro-D-gluconic acid 76447.51028 100146.3504 104122.3287 103857.8859 93676.02596 95904.64081 60278.63612 60575.62036 61443.67667 56346.11067 60402.8108 57898.18454 467853.4562 468736.8128 445144.8474 467790.0129 454891.3292 459186.575 278363.0603 261378.7108 274011.1752 280155.743 282587.2312 302233.8416
Ammiol 421.240227 405.2616384 387.0365175 638.6915921 971.5213666 615.0976118 657.7003776 69.26276534 131.0239465 153.7810078 85.82867258 158.4377472 2142.193152 1902.069315 2217.590447 3038.962953 2908.513885 2509.441414 3981.30636 4898.705915 4485.553739 4822.083907 2567.42285 4143.83299
Diosbulbinoside F 2038.627228 1489.596337 2405.479878 3867.055346 6243.030369 5578.267578 34297.48181 35006.61152 32471.81879 33249.09378 38927.1091 35270.7631 693.3654989 248.4714584 351.2843209 472.4935614 55.11249089 59.18786235 648.1333191 391.2326606 276.7154087 184.3189238 240.3224975 411.2539834
Diguanosine-5'-triphosphate 1013.831309 4973.737898 234.2118356 1879.068799 333.9104329 1790.984855 2446.967975 1294.39087 866.1996438 1215.111763 474.7139341 1015.088168 10769.20036 15964.87564 10453.36249 15475.58594 12885.62936 11904.88648 9457.224037 5109.760131 10479.80286 4692.1942 7344.764877 5182.915194
1,8-Diazabicyclo[5.4.0]undec-7-ene 2694.143792 2770.958697 3350.528085 2574.563705 3308.968841 2819.709382 3283.06464 3855.851452 2463.307392 2994.950833 3025.015767 3243.633636 1641.262609 1831.303999 1197.256854 2007.373985 1667.118446 2051.967383 1166.928965 1554.726846 1298.852466 1436.669004 1520.99236 1318.094023
Beta-Cortol 1113.71935 786.4668801 280.5157045 1195.054158 478.3554572 983.4139673 2445.048476 2004.050401 2278.043113 2362.64548 2702.262162 2361.080849 128.4127734 286.3013466 213.237138 261.6159642 114.209774 226.1707037 50.0702021 13.56995428 109.2181693 28.91891225 111.39641 95.45065577
6-Hydroxyflavone 380399.4745 380985.8078 372016.0717 386729.8576 383768.7326 372520.1776 264076.0444 256007.9653 240635.6191 255583.254 274776.8113 269401.0213 20842.65553 23941.35715 19613.86903 23609.86565 27909.79199 30251.88271 24452.75172 29071.94427 25969.47618 28944.83864 44.32315891 27554.01161
(1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1(1,5)]octadecane-7,11-dione 69445.23838 67129.4331 61504.74554 69176.23712 62438.29014 66604.82703 154925.5096 108143.0306 158769.5199 165818.78 119118.4722 144508.1503 806.5265139 1966.87227 503.6189934 827.091936 263.5707006 236.9987298 81.87206029 189.5983561 202.1662775 241.1279217 297.3266509 102.3402149
Ketorolac 159121.6441 170497.5462 154564.6954 162778.2887 151767.0915 152490.9369 212402.4735 217592.1565 207933.4568 213623.4379 230683.5018 215159.3706 12143.31894 9322.447834 10161.40121 10505.88997 11437.2422 13094.44673 3316.237647 3492.813906 2804.070643 3878.971242 3099.140534 2952.499218
2-((2,4-dichlorophenyl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide 190425.1469 191040.1144 189190.0034 194390.0183 181134.3522 180463.445 79351.46914 76587.56746 73681.02403 74176.65797 78365.52152 73176.99585 877.6559731 2402.552235 1289.705463 3203.828441 3300.695453 2372.31652 1702.683533 21703.10525 14928.78473 15684.59786 14368.60168 16052.56222
Dihydrorotenone 37600.07724 33981.66059 34753.62771 36427.75384 32802.63982 34882.44659 27749.5468 28699.00003 26849.56585 27496.25505 28619.12383 26234.12122 19503.3125 19347.50297 18629.72269 20829.84224 17881.35082 18414.31161 103595.0364 107798.2591 112839.2388 113032.9877 110987.6233 105430.4003
Sennoside 498.7712835 477.4590083 30.32302341 71.16593508 80.01994843 54.95334299 547.3700627 660.5486758 156.9024336 698.8994429 609.1114808 658.209261 2278.168048 5850.954871 5476.56268 4994.691689 6282.420914 7046.666822 4769.255839 5261.4923 6034.926716 4327.683443 5225.5206 3915.037166
Forskolin 1429.958677 625.3411643 698.1623613 500.0665588 471.842387 790.1830713 3095.324474 3064.539125 4130.572032 3141.905592 3379.8745 3197.067579 5608.17704 4876.812058 5990.954485 4308.820202 4766.632585 4748.165327 6985.564453 7101.832894 8752.585939 7075.851001 7686.061207 7137.420992
Cinitapride 291.0325269 102.2531035 1317.554352 480.542107 545.9260123 243.4065322 161.0875689 274.297399 226.2879685 564.9248142 178.1168792 165.5947273 4218.968785 4250.444903 2611.418509 3458.349841 3768.088516 3769.692952 14343.75303 12929.50604 13894.93542 12950.95137 14174.63067 12468.05033
FD And C Green No. 1 8700.199136 13771.90034 10464.20762 12229.01481 4826.498569 11224.01679 17205.34693 11273.8829 12840.79172 13832.34804 17537.32263 18287.61991 61330.21775 48198.14202 50556.79026 53734.63565 51674.68489 54306.79657 472963.7008 487150.8071 502961.358 514107.4275 560445.7607 495210.28
Alendronic acid 2008.329082 3667.225403 47.07079515 2863.426536 4058.133178 3663.071492 8444.166073 4876.544714 7246.072089 8098.711604 8469.69413 9793.656787 103889.727 102392.4014 102185.0439 94978.86484 93087.91143 91351.15202 166252.1452 175474.9853 170190.781 184061.8597 184047.8095 173118.9937
Ranitidine hydrochloride 51.598025 42.00167752 80.95937745 60.2714789 18.07849221 20.79714027 51.08190083 48.33646473 76.58819124 73.1843317 35.04250236 44.04037171 510.007893 754.5697947 483.3084913 545.9735844 667.602511 711.0490421 724.5032067 237.522683 479.1225626 430.2155219 314.9126175 368.0427303
Lancifodilactone D 760.9799786 12.74476344 678.4287484 53.55497686 91.94658065 1148.324122 69.63881299 555.2505622 431.272264 558.0317451 935.7767173 90.0491798 13052.22383 15639.39472 12029.6996 15339.3293 15400.54354 14414.91567 6134.667602 7237.510501 7311.739607 7009.9057 7374.34275 7443.866293
Cefotiam dihydrochloride 350.7721469 390.8048023 53.64948219 162.9717882 166.6360604 474.202209 3497.65398 790.7424567 6858.467539 5160.45284 8290.233722 8245.306137 12777.2176 13719.50925 13018.69193 14193.24256 13122.96233 14241.69831 186.7604921 21.32838889 41.34433637 43.20376255 8.312621934 58.1882363
Ser-Ser 20425.07694 20664.84947 23897.53792 17795.546 19157.51574 21958.52262 14841.61826 15367.75263 16985.8882 19294.76137 15530.4681 16738.13991 6813.299164 6139.875264 6361.742807 4690.192147 5380.727061 6277.301297 3377.665582 3431.048144 3219.05997 4696.804034 4067.159715 3924.550597
Proglumide 432.6265825 481.8181401 505.5076163 269.0948754 353.4830231 398.6463776 314.4378451 149.4188514 204.3017287 190.9593932 161.5390154 84.76051054 2125.041888 1614.070533 1004.338551 1632.98795 954.0286212 1462.159306 5784.983718 5772.580003 6749.64578 6052.52544 5775.486766 6809.679823
Pimelea factor P2 67.84231518 150.421586 137.0905636 98.76014389 47.19142335 136.3791903 601.5402559 121.7071821 811.9882126 179.4654595 855.6203081 245.4093241 4944.025998 4007.599253 3407.05508 3987.139498 3844.794482 5584.540814 3486.900147 2315.998511 3508.200596 2657.158469 3145.873984 3902.748415
(E)-N-[(2S,3R,4R,5R)-2-[(3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-14-methylpentadec-2-enamide 347.3679795 253.1352327 255.4083862 463.5324041 279.8222882 816.8203843 66.47309353 25.60634573 399.9962138 82.25076265 94.97620645 158.2941417 2255.047006 1485.406145 2915.389173 1395.836625 2198.734711 2156.589194 2156.88763 1484.134234 3736.60009 3867.029491 3369.261968 2872.834081
S-2-Octenoyl CoA 25668.11894 24586.39623 24462.29643 23701.71191 30998.79711 23221.07429 25193.1427 25751.36485 24998.84239 22947.36306 26010.65301 28340.66794 3619.045815 5985.888414 5571.315005 7523.817639 12226.41572 5938.936568 3730.787225 3743.134666 4038.716402 3947.045301 4677.404018 2424.33657
5-Aminopentanoic acid 66215.45658 64818.31269 67747.25923 65511.33834 65102.28451 64305.25535 58007.38079 55973.66034 58049.61428 58506.53019 57840.30816 58614.76293 59569.06514 60682.23109 59720.32833 61126.94856 54597.59967 57361.67734 48632.29871 52437.59611 49826.64642 50380.81966 48739.82446 53147.93654
Psoralen 89823.91167 121020.488 116524.2652 111450.0758 114761.5523 80562.34532 46464.15794 45879.89052 135499.9547 44048.74781 127519.5316 41608.20469 47413.21678 50709.44714 90575.55193 95599.30454 48939.74058 47720.39591 32586.49521 28169.4656 32097.68772 32726.10338 29209.91939 32867.46342
Dicumarol 30064.97377 28370.48392 27290.52389 29951.64103 26428.14505 26271.65727 16358.43951 19795.0954 17546.76568 16724.40734 15294.93045 18009.21666 79085.97769 80728.4146 75603.03067 83491.55629 81023.41325 81367.62035 21558.77153 38321.63336 26360.22592 29472.42673 26348.47479 20046.08623
Uracil mustard 80430.20873 72879.3982 86956.56116 29616.5683 87236.63554 78914.96136 81291.95543 71804.36787 94077.82335 20301.88332 93291.93032 86130.19971 3739.256275 2805.626959 2399.488838 2128.909404 3257.157963 2244.269989 1343.959961 893.4553319 1165.143692 693.8096698 885.2769154 1234.206644
N-[4-(ethylsulfonylamino)phenyl]ethanesulfonamide 25130.62016 24143.66513 23324.23089 25952.73667 22442.11923 24150.94284 26465.52641 33422.46308 28602.9404 29355.13544 28366.76305 25131.63476 767.8877941 40.3706748 2703.422196 1727.386271 1343.301926 3209.325482 1416.617407 643.126368 2588.064431 2653.387467 1955.893069 409.8368631
Lactupicrin 9521.055678 11057.21709 13193.03069 23942.10937 15938.68085 10586.77974 939463.1569 98073.37396 251448.0798 129670.9051 235022.0676 437034.0925 1193384.588 1052739.793 1221844.286 1041746.051 985560.752 1339512.827 316147.1639 295783.912 444497.3743 445082.9643 446149.6791 331328.3303
Silymarin 23642.63389 20684.76381 21310.23137 20211.84885 21976.81044 20788.98346 6222.381126 5126.649431 8408.619358 2478.732918 712.7745903 9971.156989 6824.727971 12166.50146 5158.045132 10726.41026 18201.13472 16847.3411 30633.1662 31570.36972 30646.65154 32758.60998 31571.43727 32622.19829
4'-Demethylepipodophyllotoxin 37781.03024 21227.82454 11269.3543 33592.09735 30190.89642 1663.063109 85924.24609 77220.64653 76126.94874 94544.74853 95172.47435 84714.20179 122576.1795 117587.1786 231246.3564 110894.7502 187493.6119 127431.7308 464170.4144 34425.20859 337661.8371 467087.505 227101.3197 177630.0081
Glafenine hydrochloride 1671.971663 1510.032492 1363.848448 1126.600764 1524.430972 1600.659467 1593.162031 1600.029874 1726.296768 2227.590135 1323.413145 1794.078388 13304.39955 15369.14613 15530.42624 14409.28023 16247.46282 16750.55257 19299.62294 22460.46763 23179.17644 21902.38062 23612.43664 24398.44474
Sitagliptin phosphate monohydrate 2640243.835 2581943.051 2538974.104 2673199.089 2516323.495 2492284.823 2960031.339 3018271.974 2913044.49 2946196.904 3072799.674 2948951.769 246773.1871 238520.1194 461894.0046 239827.1148 425648.1436 100952.8048 36915.8913 10090.59943 35301.22784 18310.65656 24240.29525 29881.57154
7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid 1067.154823 1414.142814 1879.09098 1283.785242 922.5256895 893.2853031 1369.799758 239.0624789 1574.925276 2883.820448 1185.429541 2041.919745 20713.07124 23689.60968 22011.91207 19048.00167 20113.78404 18610.67811 35525.11081 40383.80862 41422.61258 41923.55283 34675.0998 39560.39271
Sirohydrochlorin 160115.4973 189308.7292 182722.4275 179605.5493 160684.1237 171925.0056 115397.2767 119721.862 128741.6104 128198.474 117677.2947 126462.3695 15448.65837 9751.676035 20718.49183 16500.17732 13281.78467 13282.31121 7454.934781 5862.926456 4875.726783 308.6507895 4286.652697 6323.661126
Gossypin 53406.15894 56682.62283 24857.87712 51359.7423 42805.45221 41787.25029 45592.42939 50315.40657 54033.55142 46653.37209 48059.64761 48093.19081 12599.07533 15530.37377 9263.413571 13326.18141 14757.46821 13769.78105 23717.6369 27725.7977 21192.95583 28657.45879 24440.57058 22517.95659
Arg-Arg-Lys-Ala-Ser-Gly-Pro 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 1979.132977 2099.558994 2392.412153 2896.816054 1527.742943 1062.877305 8541.289131 9953.155727 7897.872053 6639.592882 7507.72508 7564.401318
5,6-Dimethoxysterigmatocystin 29126.81398 30827.37495 28351.50615 28200.31191 30663.91591 29491.40587 22987.04916 18840.50961 19675.37773 20121.4645 18160.09958 19707.73365 874.6346089 1070.247873 814.1087713 997.0487885 968.4661107 655.6246108 9565.694889 4137.342588 9141.873952 9214.580518 9828.874478 6043.764923
7-Hydroxyflavanone 54.73661902 14.02409481 75.27492259 127.9164876 52.78135174 96.40225434 244.9115453 351.4938165 24.1384354 292.2534399 195.486559 489.1409876 1162.020149 865.5965194 1105.012826 939.2109157 999.263079 853.3607531 21.24860047 3.484764519 6.289561909 141.8536603 59.75088335 43.72960904
Cefmenoxime 31053.19715 30299.03917 31851.03279 30912.16321 30461.06124 28908.08715 27939.68477 32321.24756 25849.21472 29168.53187 30058.69205 31163.95856 18414.36745 18516.45624 18309.29112 16966.88188 18827.22663 17610.90257 16089.09175 17300.92351 17427.47532 16611.3408 17693.4649 18509.16486
Koparin 112762.6065 112666.4543 111561.9399 112502.2098 113121.5094 108547.0725 107804.1164 109895.2723 108032.5118 120426.4014 106988.5785 118214.0146 496019.6113 673452.5929 663374.903 503064.1426 490720.5556 492185.2141 340114.4072 324097.5985 341075.4137 339516.0588 347971.6457 346371.8203
Spinatoside 14487.01791 15072.71256 6500.58097 9218.667733 4162.584491 14321.09404 670.8013853 975.92252 2308.127786 1284.718439 4637.270383 1312.921698 170130.8285 177701.6109 173488.9522 178978.4033 177342.6723 168064.1172 74869.0644 71488.60246 77133.37281 74890.88806 73590.14675 85299.7675
Cytidine-5'-triphosphate 2630.269271 2779.269625 1545.970302 2562.899907 1921.900783 2776.748815 793.7060158 1093.364785 1229.438919 1198.080286 1748.151088 1189.412619 4918.087832 5853.061003 5878.146073 4553.798787 11415.22505 4377.785228 3245.418279 4189.692505 6294.101391 3635.272919 4663.879775 4062.924221
Cytidine 138703.7545 145480.3131 138092.5816 138699.3899 135185.8293 140687.8144 157965.5097 153811.5733 156167.9074 154703.0592 152604.7528 155801.243 106767.5609 107923.0549 109571.8284 111745.7613 111922.4977 107800.4533 78545.11712 37011.5456 72454.63564 39621.28407 73429.34505 40650.50055
[Ala2] Met-Enkephalin,amide 430.5371812 187.5688216 254.8256153 43.57350074 132.5359127 65.36012152 268.6315594 264.1520625 115.0409013 31.77229084 179.6402019 83.85623248 1577.735864 2655.683898 1738.04287 1296.456247 1829.770285 1329.293174 7068.211405 6284.574655 7114.522738 6206.224839 6501.606565 6937.527933
Latamoxef 17918.53725 22368.97833 22350.57245 23473.46989 21721.89014 18130.16679 6552.888275 15362.67168 6072.393909 13644.01189 13972.22105 13079.79193 17550.03679 13667.42558 12216.98481 12239.73883 734.6709182 1788.805304 186.7092221 1142.924999 1215.338294 292.0448774 852.803787 2356.517103
Pentoxifylline 4338.783866 4777.385937 5016.441971 4533.770875 5545.365082 4593.700233 4419.324246 5683.973865 4487.99866 5431.638395 4582.098903 5606.620558 2257.461748 2860.765075 2799.009376 3258.310438 3204.686036 3150.118462 1308.795968 2387.209145 1235.954622 1488.939654 780.3621359 1941.95016
Butoconazole 56560.47496 51484.9333 60210.87301 51720.23851 48393.04973 54743.20256 45315.97144 54490.13927 51171.11938 53297.32747 49622.23221 51341.86661 6161.064149 5012.958895 3723.347161 4516.483037 3811.654637 4571.186466 2746.140388 2505.38042 2833.762576 3350.15544 1777.657575 3046.097694
Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,6,8-trimethyl-1-((2-methyl-1-oxobutoxy)methy)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester 429786.5287 283.2130092 430.8394855 779.9220729 398957.4699 180.4207422 457961.4842 312.5910129 296.1727988 870.6648546 480.364954 395.5942671 11451.54036 10007.63992 8233.272451 9670.960338 10769.62626 12143.1029 28216.63435 24395.40576 29851.08901 26691.0047 28090.19411 29181.25405
Isoswertisin 2''-rhamnoside 3913.713999 4523.369737 1170.541934 3551.885267 4258.688182 4486.819784 4621.480992 2645.475533 893.2817715 4472.84672 4764.981243 1321.003221 108858.8202 102575.7626 114258.7077 93923.55459 115096.9198 112193.8717 134802.0497 144696.1568 143453.4348 137475.2722 151387.5068 148465.3345
Captopril disulfide 6251.873168 5622.990186 752.5861987 367.8686935 317.0158369 260.8769379 27219.38261 21800.14293 24627.4109 8708.49995 40088.11808 31899.03028 1744.248976 1880.297872 1364.81659 1372.080447 1615.124441 814.3337932 25858.66983 27574.25331 27988.75972 29220.33498 27751.48797 25952.60288
Kanokoside D 451.362254 485.3131631 925.0512377 883.8702967 256.0032871 550.1628968 882.3155837 319.3320683 636.6294238 523.3008464 209.4237145 629.3269527 4495.40018 4943.542143 5267.964355 5180.027732 4321.421304 1115.840528 17358.21862 18697.52262 18672.84291 17974.0191 16503.56285 20419.70502
Kanokoside C 100.0489827 1920.370827 3371.362564 187.3187637 1615.049048 2286.822222 142.9277706 212.2050475 70.6227093 229.8613524 400.0292469 2318.543258 44001.65665 44486.92591 44466.89663 49174.60001 43721.18644 43701.63152 34831.48549 37894.03847 39003.69288 39908.95277 38040.13036 28945.91615
Demethylwedelolactone 54952.40507 29928.86077 8898.281973 15675.95417 14340.30909 58770.11566 27749.62284 11507.79081 15322.0579 23383.88303 22001.65307 19813.26359 202446.977 201208.1717 209455.9205 214497.8884 208671.8677 198573.5969 338483.5664 312216.0299 308594.751 327206.2299 314748.7672 342091.08
Bufotenine O-glucoside 16402.51572 5876.031028 9177.668204 13555.08245 9524.975827 9752.556788 5412.678634 11228.62122 12975.14879 12968.20667 13684.84039 9584.235756 11042.03192 10087.66646 10191.83387 17390.02469 15046.5751 13978.76399 51831.83994 4048.898106 1700.859988 2553.450866 4630.249897 1240.752482
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol 5062.27417 5358.381454 6589.445147 6154.055103 466.256613 4318.313814 1604.343865 2375.599879 1876.144187 2573.982806 1169.973738 4544.189639 569.0580006 108.3460131 451.8152005 908.8951461 428.2392211 184.801492 261.9887449 225.1590343 348.4716889 1148.058681 124.4786822 235.8875686
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 1535.669806 1438.329052 1669.450078 1713.163448 82.58640979 1827.303948 84.39399638 272.1454172 1253.841495 1348.861095 1840.682055 1092.712982 12527.89307 12846.94025 13584.53119 16800.25583 11502.18166 13584.44678 10302.75084 7743.321561 9976.173055 9176.904251 8777.573294 11314.53348
Sofalcone 449.5894762 525.6608664 199.0356386 309.9843988 166.5291306 368.3107751 835.2475058 2062.384495 58.94958127 637.8270078 1474.10231 736.5603444 1494.980533 1018.99585 1153.310285 942.2631946 2055.342035 2053.343486 3719.621567 4716.761168 4516.268611 5101.145696 4939.153824 4793.883145
Nicotinic acid adenine dinucleotide 1418.168103 51.97177503 887.901243 1493.163778 893.4355146 1203.356689 63.04189057 1261.466109 3335.522888 1597.391341 6792.599383 370.7953214 31406.7884 33081.53166 29663.03292 29068.48259 30352.77735 26857.78056 6630.179645 5774.068242 6148.274216 15.45292916 7047.711068 7297.108842
Guanethidine sulfate 278.132078 114.973205 190.7378756 390.0112925 145.835095 308.6992825 425.2812738 159.368974 512.2723138 465.8087926 681.5797887 438.331032 6758.333143 7088.114579 6256.116749 5663.936751 7981.37944 6891.938802 2922.013973 3265.032174 3546.470522 4267.161048 4177.743013 4118.801564
Tolmetin sodium dihydrate 4034.647406 3832.310323 3129.90694 3156.425459 3444.149354 2450.387626 2289.730514 2691.080582 1693.927235 2253.884262 2105.640957 2566.438495 17932.59324 25168.37461 24723.24965 27362.24092 24552.14145 24630.90168 23718.41673 23457.00489 25595.16497 25265.84779 24061.42236 26479.90361
aclacinomycin S 657.1962034 1017.778817 1193.072107 746.0715058 825.6040092 966.3794393 1582.27498 1698.087838 1918.119541 1637.946482 2070.640031 1759.431356 6284.087734 6682.679419 6419.15144 5715.213552 6586.757877 7226.883552 6029.153112 6223.004076 6339.294609 6633.829597 6857.191046 6362.612267
Benzoyl disulfide 81381.76595 79973.35434 79056.30107 82613.09569 75619.64628 81668.29038 69931.43402 95289.48711 93787.2566 82116.44794 93537.60498 85300.44427 27817.59151 26158.27165 18163.64154 20984.37688 16226.41168 24456.32245 21159.5961 17834.83621 19063.74728 22126.16203 22484.99281 17814.40862
6-Sialyllactosamine 27859.75775 27377.92328 22078.69218 19907.83215 30067.75566 19159.47054 9531.6198 21259.63233 27706.28474 25414.35871 27307.08023 24702.63299 8554.116613 5812.946006 10707.62674 2554.969757 3213.496325 14585.34042 2773.129017 6021.734747 1745.333311 1949.618499 2414.292298 2647.57142
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one 8360.377845 8870.752815 7403.528632 7765.279337 6956.994372 8273.282431 36471.86719 38720.12209 35459.15831 38769.42263 38678.01745 34007.38301 267.0173866 943.2703186 840.5973226 1249.041007 1345.8709 3169.943271 865.1409106 640.1417759 366.5510827 25.61209853 309.4637482 614.6143148
Oxiconazole 35.82655021 126.0571064 40.33817402 100.0496164 395.6859279 240.3016361 730.8607659 446.7726985 762.5714621 818.1710837 786.7233824 664.9128813 5411.194022 4943.98255 4173.355167 3828.28185 4175.933075 3970.712584 5311.203968 5603.033887 4805.428674 5618.913299 4742.692704 5540.444105
1,2-Dihydroaceanthrylene 1052.753503 490.2601525 791.4592671 822.0014485 648.4771161 1063.675084 1039.671763 373.8076212 1683.412599 272.5142175 175.1608188 267.0141186 465.2881815 554.9115345 1411.405519 662.5903995 378.6352867 414.4549079 915.1897489 884.124453 481.8603008 1260.24904 1298.398092 921.9540203
1-(4-Fluorophenyl)piperazine dihydrochloride 8085.639348 8321.23461 13147.01183 8885.239735 10933.14469 10901.08616 7943.442747 7852.206143 4776.444059 12476.40662 7161.837695 7438.289159 29233.83671 28275.56099 28487.50823 27157.66268 28332.03735 28623.52478 849.4462063 1659.563507 3393.643766 3289.391241 3001.155932 3708.879436
16,16-Dimethyl-pgd2 151.110812 231.793957 56.75202648 386.4826047 378.9081032 242.2240306 21.6523134 251.0804877 131.4254656 243.2938246 56.50731244 124.4429959 1594.318937 1266.547457 1904.496904 1729.388325 1681.84503 1370.828578 5211.743363 3156.408813 3580.710971 3055.421928 6617.928456 4850.839448
2,4-Heptadecanedione 101.5098512 152.1925107 64.20742303 132.4017265 229.8521011 141.4950159 200.8380201 221.0528726 246.2845665 234.9413923 162.1533911 182.2228472 1380.058646 1152.382073 968.4862281 1508.059678 949.8704271 817.6769126 3271.92368 2811.264176 2621.728857 3133.743583 3320.734514 2892.926101
Morpholine, 4-(3,4,5-trimethoxybenzoyl)-thio- 15893.6901 16860.59966 12859.57946 9208.139803 13350.31871 11604.65687 13100.84422 7260.949084 8678.32355 10280.75026 10126.82993 9190.868346 552.7194311 251.1770212 474.8859699 157.9143808 128.3990264 184.8160515 563.76144 75.22344621 230.6407392 28.96537429 245.3418753 958.6051026
2-[(2-Amino-3-hydroxypropanoyl)amino]pentanedioic acid 52697.57942 54579.62144 56965.65469 58681.92438 55104.01755 49778.82592 49974.40692 47989.25552 47168.26628 50470.17996 44849.36976 44867.42687 4195.046412 446.253946 25.67887683 29.26887445 274.3447593 74.12266729 603.0989614 147.4847325 52.83594964 2448.513761 22.23683033 2779.375388
Traumatic acid 23.87894129 121.3141171 59.7741769 84.95821786 21.38897884 32.70863459 460.1092315 63.88174847 233.7205366 136.3946977 965.0637263 1059.228801 7751.779545 7411.862989 7567.575658 7569.111 7184.99454 7363.373116 78047.81273 74809.05493 81034.15203 77357.42335 74785.44817 77935.71775
Phenethylamine 7099.140366 6871.412676 7772.029044 6979.010926 6619.284999 7168.99485 10851.65996 11612.33204 11320.23149 11394.76825 11240.04046 11275.19053 3074.955172 3002.940436 2921.545851 3053.057298 2815.988824 2942.404677 3542.945066 3341.128394 3602.002378 3408.824962 3515.947777 3338.485168
4,5-Dihydroxyphthalic acid 18833.21335 22807.38924 21190.66803 23265.91768 20082.54504 22781.4476 18497.46828 19918.65434 15784.06736 16528.58213 21748.93624 17857.01684 5172.936497 4928.291329 4346.377675 5960.363479 5022.542856 4763.499956 690.1907653 465.4184982 438.9466274 207.2034913 427.9234237 310.1571638
Dioxinodehydroeckol 1052.747512 355.9104888 728.2508218 713.6716153 1281.2397 865.0828107 603.2189979 1533.028777 680.7410946 568.1081482 2275.492025 1559.409831 6740.241393 10012.73456 7197.716103 6886.330909 7318.490457 7798.909132 2528.803061 3125.645077 2994.709419 3769.647987 2439.261817 3635.668007
Diethyl (4-Fluorobenzyl)phosphonate 15014.35799 12012.57067 18509.62334 16604.92265 17867.87123 12455.05764 21235.35673 7327.891111 11564.9919 13015.15215 22780.16733 15525.77962 1155.73911 501.3657611 548.5627794 38.30193345 160.7872194 44.88506142 607.8299646 83.63576751 18.75198454 579.6640395 27.52948846 498.3770854
7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one 952.2900963 1490.490659 1696.852595 3263.349848 3636.657743 3970.659577 1113.096365 1489.525054 1074.29715 1445.223094 1056.238022 781.8085513 67074.98854 77867.75881 61492.43945 70391.00068 70726.71306 67049.42699 48829.07786 45341.8408 50684.86129 47676.28494 47693.16831 53513.85532
Triphenyltin chloride 133.2860217 59.85352123 247.6439323 67.45147051 132.954346 154.1746447 93.36104519 147.7506175 695.711546 710.9559747 839.4004581 136.1286478 18238.22677 12312.95094 11115.85057 8858.828911 9910.545995 9512.5978 3815.148741 13436.84482 3256.401779 7679.624731 3747.697001 7763.329866
Tridecanoic acid 6950.204915 6341.993061 4254.844197 3911.278666 5288.781468 5689.08916 9601.598832 9735.486664 10700.36582 9275.242141 8566.764635 7400.372475 9318.778632 9960.833939 9874.621468 20823.31249 9175.184729 11857.84568 8763.750806 13795.04748 10457.41343 10303.69098 9398.548686 11424.99134
Chartreusin 29873.81274 29625.4742 32064.14162 31330.55625 29463.27188 31286.7137 18102.44369 17886.7253 16442.33451 16547.82285 18235.83017 17836.21935 3715.710628 5785.669597 3761.50352 3723.416389 3425.424427 6566.360923 744.9594154 1308.0029 1367.444903 1617.819899 1240.534328 912.1795686
Dimethyl 4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate 54054.69723 55202.45281 48493.54313 53976.54171 47310.13378 52325.21987 42304.11226 40548.62055 38258.42067 38153.02915 36714.50305 37559.0689 6290.757933 6325.809573 4693.313795 6041.22715 6076.479563 6416.6912 880.1969663 1726.671339 1056.547694 825.4277837 1496.447726 1310.481766
2-(Dimethylamino)ethanesulfonic acid 698064.2936 231940.1546 23369.81102 643528.3137 627030.653 281009.7776 1198912.349 1201019.625 1328363.704 1063283.392 1054761.164 912436.2395 135091.6768 209731.6418 102693.7186 91898.29213 96785.01555 103432.1403 185078.1882 41619.44624 206201.3077 136440.3774 201781.2361 216770.2405
D-Malic acid 328235.6761 317707.3503 484245.2278 315468.3764 305388.7697 324489.6437 274709.703 277100.0555 266092.0555 279499.8953 282116.974 275787.2202 1220245.852 1127947.514 1250669.847 1153351.469 990939.4712 1155297.127 1097609.077 1050753.957 1105619.205 1061639.738 1068871.468 1147572.807
Clitidine 401.944761 511.3579364 496.7795928 385.8840275 556.7717952 551.7686367 936.5300318 502.5581734 683.8387852 215.0579494 618.1467984 439.1506283 2884.55331 3521.757582 3063.190574 3247.890975 3579.540766 3552.200996 4282.777512 4771.953597 4363.676454 4383.746529 4720.550951 4415.338388
Epithienamycin A 5781.766033 6114.192134 6595.179181 6969.454722 6589.413532 6690.149869 7190.082718 6566.999468 7238.13278 8218.052634 7681.345359 8479.068117 24940.72582 24138.58712 25080.04601 23092.93351 24651.04318 26236.63382 37762.04558 36457.19453 38331.50473 37995.75382 38234.75132 39324.72854
4-chloro-3-{5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-furyl}benzoic acid 241.3294358 313.0477529 161.3972956 238.8573941 290.1177363 177.6716858 720.1823653 178.0114764 481.131517 142.239073 336.6099007 493.8501272 2332.955814 3045.845183 2730.004974 3675.556362 2098.31952 3045.685184 5175.745978 3024.484552 6504.103006 2349.737002 3954.496171 2662.447855
Resorufin 150237.7334 143067.2584 147628.1568 142699.1211 138785.853 141108.3311 136584.3295 139837.5693 139146.4004 139688.4549 142491.3947 137249.0763 1086.140932 807.6997848 708.0012601 364.5951472 1174.186437 1519.974002 1714.092753 1213.521692 1484.962067 219.4848574 1329.836922 282.1963813
Isochromophilone IX 99.75331356 69.9506473 740.1550236 25.33633985 64.44046649 52.32991979 8.754285482 117.333602 51.43835887 214.7511955 46.10028067 35.09977464 1548.412793 858.6434131 806.3751461 1026.541926 660.5287984 1548.52008 127.3655701 102.159531 207.581982 102.5195989 70.95446049 190.4707623
2-Phthalimidoglutaric acid 71649.84308 68671.65375 64670.31385 63631.06743 66692.03215 61238.42141 59189.84031 54091.67926 56368.10747 61989.52856 50095.8956 51378.07795 50533.69662 49568.43203 64917.3483 49827.56556 50085.54384 47906.44193 56049.77784 59415.28693 59203.27098 70350.58541 62457.82251 66813.10561
Saphenamycin 5950.618055 6620.208114 8019.777841 5676.392865 7452.418972 6551.102418 2039.801007 2959.220084 1753.606337 2382.798612 2712.468176 1041.958897 2148.261763 2990.007808 3380.265198 3234.643334 2546.792919 3598.77984 111.4224072 891.1024095 223.9478354 344.3787698 298.872597 525.3016496
Isolariciresinol 9-O-beta-D-glucoside 117030.1005 110766.2998 107552.5386 108937.0721 110645.8767 105293.6905 82548.66378 82060.96244 84728.03824 84549.86892 82644.07909 79098.28012 49472.45398 50011.75802 48519.21963 39040.14408 49151.41574 50113.42232 129005.0383 124851.7557 130136.4983 131020.7518 129080.9272 135104.9332
3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 47811.46741 40478.33019 42701.96709 42625.31517 42472.26558 42324.43995 62479.34352 63096.21156 59210.39261 61284.57144 59338.96105 55947.83315 86077.83939 84674.59503 80863.40717 87143.41807 79479.22372 82652.82583 69030.87977 70715.06244 70876.38791 73333.94426 75401.23931 75009.06321
Bromethalin 15431.23541 15102.91245 16247.53204 15948.32951 15842.25686 14538.06621 17229.38763 16713.66601 16669.00055 18342.7693 19143.94669 14356.88003 135.0301284 123.9788183 727.3954247 219.121351 94.27900932 97.38740873 23.48344206 422.7817636 1047.036146 560.5813344 901.2648633 721.6132695
(8R,8'R)-Secoisolariciresinol 9-glucoside 523.2835518 35.30216079 798.5616556 253.0697158 283.725009 1299.085862 2733.820301 2343.942819 2806.7377 2962.74848 1232.372777 3671.660619 18879.12977 17905.93953 17157.79577 16514.25888 17996.65967 15896.77889 22907.91777 24555.03461 24479.06183 24993.66527 25354.59758 22764.34273
S-(2-boronoethyl)-L-cysteine 64553.05261 62767.02754 63928.10201 62638.439 62089.61218 61994.0977 21079.35795 20885.50117 19945.17942 20852.82197 11344.97214 16647.84996 8069.573171 4555.102 5085.700129 8650.20499 6315.573454 7314.028249 13832.99345 3808.202558 7905.787797 12884.2989 10315.9657 10713.58784
2-Chloro-3-(phenethylamino)naphthalene-1,4-dione 2041.310568 1881.978979 1513.192112 1762.55357 1786.487664 1637.460185 56.64809697 149.7674132 67.23284989 47.03849035 9.941551428 44.29769605 364.8149466 38.09371176 60.4392864 46.52379585 113.8864432 112.1060725 95.24896736 106.8147205 56.41548771 64.31324655 80.48017283 37.15032654
Cyanidin 3-(6''-malonylsophoroside)-5-glucoside 211680.5419 207448.381 269462.9881 261285.8049 207585.1652 279801.5875 155863.0013 169404.5495 130506.9917 146866.2283 401.6309316 172518.8901 46713.12877 1192733.068 1192692.361 1142865.58 1171536.757 1169587.457 672728.7077 729314.7806 708803.6989 821549.6222 686131.7736 696354.7283
Phenylalanine 1827.571037 1689.312006 1838.798917 1618.699591 1836.971642 1902.281049 3468.260861 3631.04822 3266.389994 3550.373693 3547.998574 3573.583657 794.4455711 310.9888739 422.7776718 281.890239 585.0557576 531.3488683 793.5761914 518.6956827 621.6303984 438.4205681 605.3008779 483.5036811
Methionine 23093.48448 25971.99053 23821.68161 23379.64644 24131.86087 23233.66202 35503.29818 27248.32201 35958.31804 25295.53303 38063.41752 33842.3386 836.1177909 7122.528122 6635.441094 4205.454737 3167.229776 5309.333701 5598.625242 5902.303309 6436.097361 9415.65248 7084.867168 7229.322276
3-O-Feruloylquinic acid 25656.84295 22125.66218 23702.13636 22486.72595 21081.63558 21221.13643 33345.55153 29967.22195 28342.57597 28866.95414 31515.48692 28605.855 428421.96 419221.6664 432499.5636 428311.0387 431914.923 416922.0855 209021.1562 207786.1665 215602.8123 212403.9405 219927.2236 226921.7319
Cefoperazone 8415.45043 9472.234345 11056.95841 9548.470752 7636.884739 10016.61711 91.95381983 16115.00979 11096.65935 277.4098117 13589.23533 12405.80149 233558.1414 229516.3479 216410.5685 229846.2807 209966.6661 216187.8022 747999.6851 745304.0862 781976.872 719638.8874 729813.669 731625.382
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 38067.63072 36015.23643 5210.358183 15650.25279 36360.60765 27550.14887 149974.7471 168100.5291 150198.491 141894.4256 261954.0394 143985.1702 222654.3381 274509.3705 242655.9635 285603.6319 259764.3327 271965.1016 48125.0556 26685.10593 30840.24424 47905.37846 48942.9783 51324.91941
Rhodamine 123 11000.10157 14094.72471 5140.763869 9119.81941 5525.787879 9106.758587 6592.582467 9264.696663 9672.467005 7377.91078 11054.46657 7708.176962 21963.75915 31076.80534 32405.15738 36510.205 35431.54964 24412.72331 5174.54022 2202.056925 4293.514826 4203.100331 1640.908348 4314.28128
7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine 5904.318742 6326.267524 5814.435079 5672.991187 6121.590486 8174.453067 13999.30077 14108.15207 13407.3214 14277.54786 14989.5344 16771.56167 93.95673062 278.6880766 1437.131428 182.5303409 65.06531425 25.91454087 202.3539511 161.5988229 228.6492426 491.378365 311.8381054 533.7771889
Gastrodin 235467.2604 226867.7653 245512.8846 221654.5974 229001.9401 217342.5098 257645.6841 358859.6792 270868.7672 249334.8156 257068.3036 265603.219 304371.5887 295335.4038 298203.5025 303041.5444 305730.8368 308338.581 118806.5178 105706.5244 122736.4988 115508.5306 113886.75 123353.6699
Filiforminol 1021.907053 954.3363051 1479.862681 546.1555155 641.4706933 1109.090899 1277.576673 1728.42059 1637.471542 1634.430601 1125.60968 1457.381478 110.2485208 429.5192078 266.4128253 445.3615893 306.254314 339.764132 454.0788752 334.2249867 316.6903585 503.4435359 416.7842426 276.8026517
Artemidinol 378120.1112 428048.9157 427477.0627 433171.3951 403737.182 423765.3775 342473.1233 344031.6385 332454.6124 241220.8544 249582.0626 326225.2129 84331.90995 5377.721664 11300.38667 8165.862744 6298.996746 4703.689729 11055.756 5006.372494 5512.016639 6270.975961 5081.487408 3613.652902
2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid 17636.12395 19899.77781 14271.72506 2116.122028 2154.554203 22270.37001 10679.95531 520.3125351 11223.42876 3820.915793 3968.722364 391.4566619 144358.6965 140456.8991 145353.6653 156808.4447 145644.7527 153157.4005 251317.7083 262861.0209 250712.1728 283453.9091 269883.0662 258417.7038
(+)-alpha-Viniferin 69951.65031 71900.08338 72797.30315 73083.77949 71079.23934 71748.59298 38259.92524 42956.60552 34759.50348 40678.42938 40647.27865 37143.646 1576.451257 1241.992603 2531.258002 917.9459122 2131.253793 666.6511846 56896.66857 11139.47278 56543.09684 15049.04637 57873.06217 61832.28855
4-nitro-1H-pyrazole-3,5-dicarboxylic acid 285.757625 111.3575936 145.9641155 85.43001793 135.729214 171.6309497 77.55062487 52.48533296 107.2238097 105.9985644 83.55418271 65.55562073 6.273787704 131.1649042 120.1703491 7.600912599 114.0238285 105.4049859 103.9051365 51.3366038 15.12143682 9.651984796 84.81496968 51.85813654
Edetic acid 6375.388193 5637.164618 5250.53201 4639.699038 3435.034679 8377.477345 1127.44522 3740.502718 2294.0516 3230.562008 3152.68709 3205.889541 35515.3237 35938.43397 34258.51168 33979.19409 35474.48484 34100.42011 93339.36171 87968.95508 95080.08216 95725.95091 92564.86663 93124.55902
Dihydroergotamine mesylate 676.1432971 516.6434832 539.7462857 310.6201268 314.1178665 293.4802089 171.2131526 181.7923191 148.6626136 190.3477553 252.1448864 124.3314172 476.3857286 100.6054974 147.2760473 176.4493016 74.09895214 147.9152305 87.50763796 68.44336976 41.56737495 123.769308 97.06853978 103.7729695
3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin 26377.11976 27238.85084 26751.01592 28812.38789 26633.60661 27753.87856 21065.59849 22380.54579 25872.60002 26046.83994 23956.42372 25188.28186 23.65356884 192.9505886 92.31192822 53.62041928 37.16863678 25.59147623 5722.766192 5057.850506 287.9044389 173.4536158 10242.96818 5488.826858
N-(2-fluorophenyl)-2-phenoxypropanamide 4267.313111 5826.244166 2610.038887 4581.688645 3902.489791 1669.760077 2845.956845 4584.694855 4795.660785 4805.661003 3932.155802 2935.318403 89.41823903 329.7483696 219.3052815 456.22154 465.6805423 184.0298534 314.0832975 195.1014383 327.818996 430.6423885 391.5413614 266.7806053
Malvidin 3-sophoroside 5-glucoside 26610.30063 30393.49984 27362.49062 24539.43678 25585.13895 30190.61492 40532.46025 35218.89053 46180.71027 38702.18112 39373.99076 35383.96424 2290.960329 1286.626211 833.5140966 188.8727285 79.10495654 891.7497843 269.9734288 73.66205743 1604.228055 843.1088215 221.5724857 254.7330045
Melilotoside 1814.586553 2718.030659 2120.009956 1173.199303 2818.256499 4161.881847 6282.708288 7643.557708 2324.494086 5393.072168 1892.37802 3786.971756 256721.4036 254535.419 240880.1184 259162.1169 250529.4641 238811.2908 268959.108 288022.0493 303570.2931 288357.6627 275977.4245 278434.6642
2',5-Dichloro-2-hydroxybenzophenone 948.0889351 225.4127171 418.2554808 524.6017406 732.6952564 231.6957718 494.2757731 375.8931648 240.3464148 29.19855281 373.1577442 349.7452776 188.1220897 377.6505062 751.5262764 505.9676143 653.2821379 723.0286243 2780.572241 2507.320744 2531.173061 2841.389998 2321.55645 2743.061898
Fluvoxamine maleate 3054.395991 2920.609096 2342.375808 2792.790566 5709.786311 4994.910219 1076.58893 1557.926247 1658.959856 1563.315339 918.1241713 2294.148275 2197.548902 3056.499938 1793.99038 2369.835343 1872.162832 1603.456883 60.69584259 145.2088436 51.47616793 211.2829588 235.5235722 196.8777673
DL-Aspartic acid 1573.347646 1355.432761 1883.589961 1561.495821 1767.289504 1658.145656 1275.56541 1561.616605 1493.745888 1390.328122 827.6691116 1280.569314 4390.805701 4000.425048 5011.683904 3205.901053 5730.393488 2833.433444 3977.447531 5842.524301 4524.726739 6572.240757 6741.328329 3555.727937
Cefotiam 86095.626 102881.7027 81508.90039 77463.491 37971.27607 35465.84314 112985.4924 104233.3102 16446.67445 30754.83118 15799.37747 2270.807689 622.1225161 153.4277984 149.7640255 198.4916936 193.3999077 107.0970897 146.8552677 50.53183098 161.0235635 27.15148265 115.8249705 69.06388276
4-Methylumbelliferyl glucuronide 7089.656872 6679.327715 8290.140707 7267.880655 6668.831267 7069.685025 6179.619522 6074.153335 7356.251141 6631.800839 5423.184633 6636.197537 5867.931146 7854.741966 3228.339213 6249.945203 3216.358652 5767.002125 3126.583197 3228.526428 6828.930483 6689.319849 3506.018835 3271.773089
DL-Ornithine 16513.21526 16186.23066 12339.6913 18374.18199 13048.37574 16560.66227 6847.227032 4943.555688 11087.88106 5958.204559 5782.020656 6728.97287 88.74172597 158.3837426 101.7042256 168.738669 237.3091996 73.63157185 13.72923519 15.80011884 71.79097487 259.6278473 54.76351459 22.2025322
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine 52183.73092 54164.17193 7933.690881 26752.06212 8956.38244 58419.52545 87496.23368 63286.9768 50760.28376 82445.78091 54017.79507 56965.01496 25630.56046 77935.72709 91540.97859 60161.33681 68247.49134 139388.86 19561.53407 21917.06766 30104.77061 29250.82179 27664.12337 34767.07199
Mebhydrolin napadisilate 19854.85512 15844.81832 20613.14025 15709.91629 21250.72935 15928.5887 9639.555224 6253.844512 4650.791523 7739.413109 10067.48166 7520.780951 2880.277533 3547.611248 918.922151 2073.829124 1046.974049 2898.685516 3580.267757 3657.927077 12790.27762 4323.734922 4548.936941 3543.791807
Quinacrine dihydrochloride dihydrate 1561.808906 2799.509271 4204.775409 2608.149927 2355.440372 3941.748345 1486.027157 1362.010528 1184.727609 1208.966134 1339.731911 2053.33536 2362.119948 648.0579571 494.1105499 1176.996923 1049.157533 1054.018191 11328.02353 10002.03072 11672.48037 10226.99028 8566.160458 10567.16798
3-O-Acetylepisamarcandin 1924.445859 2224.616228 1150.472567 2193.931135 1423.741507 1794.741844 3199.47892 3704.904559 2583.969572 4588.484941 3594.699038 3533.315901 16359.50259 15673.65115 15022.08068 15030.00567 14985.05383 15949.3001 26515.96576 27046.08598 32158.2137 26301.08092 24951.29276 24813.19959
Naphthofluorescein 25322.56828 26176.41508 25875.80949 13525.89218 35441.30747 35150.87352 30669.09946 42978.38437 24234.87265 49422.24375 45126.44238 42663.9719 10995.55361 10850.06758 6002.879031 6616.669526 5295.732033 5785.636552 2839.536234 3149.748701 3473.857117 1154.881709 3384.715891 1465.321849
Watasenia luciferin 1690.285962 4585.453522 205.0217866 1442.411558 1361.432665 866.5198467 787.8119711 1131.065358 1115.758654 875.5349278 826.4753138 69.34873231 713.5354352 1577.014981 824.6792288 1249.437716 1528.459559 2910.842373 10719.11639 12996.46624 10315.51904 9619.488634 10905.58199 10403.52499
D-Saccharic Acid 1,4-lactone (hydrate) 26595.46072 26819.13663 31976.75878 26330.42319 31980.79966 25703.67611 23835.48909 15620.95407 16676.85198 21410.78846 13954.01729 16384.41698 144.0186035 110.8776813 270.8579322 51.29614326 358.8076492 184.2490065 628.3242306 1013.079509 522.6453557 744.6326726 9.791155381 14.95181933
Acteoside 3410.891139 3885.821336 3342.315866 3764.841426 3595.88598 4116.50022 5905.844273 5105.688283 5404.586023 5524.426325 5247.217313 5231.744325 13042.38139 10669.20643 12305.05117 11034.65163 10882.27935 12577.94827 6556.020838 5661.474607 5781.152423 5749.94628 6359.511423 8849.386748
Catheduline E2 1835.842646 2013.648407 1971.920353 2138.852358 2224.448798 2993.74222 1098.271472 1236.19202 1090.565123 1036.827171 1060.992901 729.5484912 36.40619402 27.83261502 76.29821382 42.80046308 37.67694989 20.90130053 31.68448754 265.4034887 26.34151971 44.7310759 96.56611476 93.99765097
Naphthylmercaptobenzoquinone 6457.491974 4665.596617 6966.639567 6580.254664 7847.757285 6622.161739 6366.206232 5714.92813 6575.762322 6623.861261 5325.772385 6371.227011 949.4687538 975.0219161 1153.906382 66.47366057 914.8306267 950.9110591 53.17903166 107.0953083 539.0588207 384.1259087 338.2891161 463.5189217
4,4'-Dihydroxybenzophenone 68703.48444 66714.29476 65516.17667 66391.15516 63658.80067 60368.572 31494.39003 29848.53058 29921.00066 31742.4217 25897.95709 17104.78241 5937.607877 6533.191954 4561.665365 4802.300012 6955.372962 6164.054401 2724.271458 1634.31609 1922.182518 1670.243078 3032.990688 2019.454077
Cyclic diguanosine monophosphate (sodium salt) 632.4674268 1260.312058 48.36070581 628.263371 1186.509543 383.519968 5734.676845 5157.505037 3578.240862 6981.975649 3880.956312 2632.480202 1964.053202 430.6167852 1512.177837 1478.770318 2622.37489 6492.435041 2311.35943 1243.278202 105.9716901 4325.716814 5641.399043 4315.266532
Thr-Ser 7179.633786 7411.017403 7702.727542 6417.30883 7244.394782 7814.467655 2770.871261 1070.833065 2887.920157 1113.53769 2580.453167 2480.943552 8878.740994 8779.321368 8395.263539 8746.63515 8765.585849 8653.245071 6382.671179 7102.800991 7219.423193 7384.388123 6900.493776 7190.999308
Zoxazolamine 26070.1428 28662.4247 28391.59925 28135.97124 28457.8804 26040.6972 25305.25551 22258.13957 28099.78912 21257.41687 24162.44296 20954.35259 1148.470703 259.3394634 528.5235186 1188.25999 924.4451096 477.1866154 113.1326213 717.0601807 205.869747 487.0667923 131.052967 47.36001167
Sultiame 1754.876975 8226.158983 5832.898922 4521.436479 8774.558779 781.5531025 6898.919026 4892.813389 8987.924776 8011.262175 7297.54445 6216.386747 6702.148389 12400.2983 8919.248302 9468.722779 11990.46058 14299.0572 33237.77669 25240.87889 32890.69167 29258.69348 34587.59598 22677.29026
Adenosine monophosphate 9769.117628 8296.992683 10392.89268 9163.547516 8544.956839 8600.151909 18676.90946 19848.23407 20026.94579 17652.53307 19184.41479 19449.54002 3811.276384 1729.584835 169.701192 2374.221846 377.2895434 923.4822188 823.8612948 3047.680995 2541.529134 2832.796263 2634.364123 373.9761273
Gonyautoxin 1 777.2750604 926.1299086 1083.163047 899.7145219 417.2149192 1101.244212 972.5932571 1020.956572 1430.373531 684.6138591 855.001628 718.2463041 10059.63704 10124.92958 11572.63141 13016.23891 14194.98556 11650.69561 6426.329632 3758.082604 4099.539021 3587.36218 2564.074792 6643.883714
Uroporphyrin I 1503.460195 1690.666295 463.1570158 1489.168596 529.9756262 1397.734624 3791.231794 4810.857028 4424.586999 4716.035271 2828.606711 3165.489469 117.6958417 45.25915942 207.398989 141.4303449 148.9308505 105.5979395 119.0027021 89.35836628 36.05514693 39.8054036 27.95630945 45.42227066
Cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) 27285.57773 25098.64557 25955.02469 26703.61598 25041.03055 27933.8714 26110.6258 26278.43929 26635.65191 26067.40134 24541.60116 26196.42498 39054.74961 38003.02875 39308.33728 39139.45413 39427.70201 36268.53143 44770.71563 48766.08939 46858.45384 45295.36119 47581.94851 48633.74995
2-methyl citric acid 124036.6049 121033.5819 118694.6884 118737.6536 112269.0454 118662.8022 97522.10031 103761.5303 104378.7504 103365.7272 97821.79266 100601.1976 40569.48476 39317.31179 37837.64526 42401.09516 41367.00993 42323.5618 10593.2263 10966.09596 13711.38126 14425.94184 13725.21564 15496.36395
2-Hydroxyisophthalic acid 36508.67239 34416.802 33343.53634 39480.65774 36194.65625 36039.27014 23582.83326 24165.25827 20725.67054 24664.90057 25279.90132 24556.96145 9436.089153 7884.745418 3502.776279 5207.634941 3468.509428 4483.607354 3475.872096 2864.316832 3799.219161 3067.083698 3782.749222 3339.720261
Ethyl 6,7-dichloro-3-hydroxyquinoxaline-2-carboxylate 7179.1401 7405.959463 9866.906056 8868.187256 10534.01504 10196.57436 5270.398216 4954.961672 4302.976521 5590.989715 5323.697093 6100.020053 382.0208474 205.4603474 94.88313166 172.8921961 278.163069 531.5408095 339.4508341 186.4769242 285.40942 215.9925657 210.6105162 273.9097213
Furmecyclox 10891.70592 11770.59021 4177.558867 4709.51211 87238.70268 12561.70159 3825.075005 14658.66288 22973.67873 13862.52382 9986.885891 27420.32802 54993.21537 51738.03138 54255.26941 53253.98764 50279.84352 52578.27354 59269.73526 56596.63198 58585.97211 60118.43011 60058.84415 60989.96419
Cyclophosphamide monohydrate 85.5185619 301.2039949 388.0209398 106.8768002 51.95778705 94.36195 268.6981008 585.1641179 109.0739289 76.477355 196.5978457 305.2508735 4660.665464 3558.241058 3341.693851 4117.867797 2270.621612 1665.13019 2263.014531 1985.64685 1648.835121 767.8099648 507.9553002 1823.524089
6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine 119990.7504 125006.0497 107228.6389 115329.1672 108996.4389 114535.0228 158563.9693 152333.6438 152122.5526 160565.6801 154557.644 151098.7059 9783.774951 11622.00995 8676.641462 9252.169821 8658.655585 9629.348334 2827.33262 2450.032765 1835.555753 2874.307195 2773.88074 2958.937422
(-)-Oleoside 11-methyl ester 41527.12424 35026.65131 35976.86872 33016.23464 33344.72915 34342.62355 40077.66118 38517.84539 34904.76692 23650.77857 23846.20105 21291.3197 587.9387845 461.1335175 1305.809673 1235.227665 958.0851597 1090.016996 1410.706382 989.6664337 981.5175788 1343.442215 965.339975 949.5218302
Met-Trp 223712.6877 222557.6274 198657.2275 196089.3169 169617.6835 166353.4549 177446.8343 172727.2512 151059.7103 161728.1152 147860.8513 148922.9427 2119.989283 1189.943838 825.4882704 603.4153739 463.0477025 177.2744311 239.9132756 141.0891111 105.3603831 352.615638 286.9024552 130.6379796
Neurotensin (8-13) 210.8277501 253.6314697 192.6419878 224.7523241 338.898423 177.9471152 93.09660434 185.3937949 126.2928229 95.74927481 357.2259379 166.1387412 2926.695124 4490.465039 3830.709237 3540.079343 3674.983239 4790.608955 2375.955352 2017.869684 3419.084499 3009.613446 3350.298139 2644.367629
Oxazepam 108197.27 99935.05038 139278.1988 102093.0636 135895.072 84932.10875 63521.41881 98196.70086 108551.9137 99835.37807 98834.90437 79339.65857 131211.1643 135865.8288 331854.6996 336100.1738 132374.5197 328980.3305 299440.6781 288424.7902 299779.1821 310130.6568 306270.8905 308293.2251
Eur 2 1002.253728 626.0972469 521.32232 924.1868076 831.7276541 121.7472195 1407.38907 1086.116151 650.2483168 719.6833186 558.9368476 1129.655171 173.5501864 121.2230655 236.2380641 112.1324574 80.8442555 85.72988553 219.7517802 99.38090783 90.16820019 100.1421689 87.10884462 82.50343388
Alatolin 5279.163469 4311.171965 2833.543159 2560.903441 767.6638844 1959.502144 5694.973621 1838.456837 2090.254593 1634.785826 2067.253457 1347.541431 21026.62874 22235.01846 2535.834065 18697.85617 20672.77921 16888.05397 8734.48997 5923.978909 4515.096011 6242.736512 10470.39837 3049.939924
Almotriptan N-Oxide 173.2810934 95.6420284 103.0510834 21.01355776 4856.013126 5541.477284 61.32044625 23.8645868 90.5786221 61.99559181 48.32970945 173.9994119 256.9219851 256.4512869 448.6750085 751.7397539 208.7248799 590.5433627 4749.645452 3638.568121 1829.11516 502.0281976 4564.781154 2405.317359
3'-O-Methylepicatechin 7-O-glucuronide 45863.81442 35214.72517 51189.40717 50638.02728 50262.98177 45853.85306 55599.23043 52903.63693 56316.00229 61828.89211 55825.60837 53044.53203 195827.9684 191732.7738 197358.3227 207610.7533 178121.4133 191412.9194 182165.7414 24927.68359 182564.7622 188797.7631 193625.6982 193198.4534
3'-O-methyltricetin 146041.8409 159613.6394 152451.4105 160610.6975 147049.4527 146547.1357 98000.97752 95671.97858 90741.97828 90667.26641 93912.2045 87519.4322 447036.9446 454679.3685 433001.3091 423177.2647 449614.6574 674519.4227 288629.9339 271568.1312 283241.5827 284445.5868 290556.4106 312008.0364
Tamarixetin 104567.6143 98599.36764 100119.0824 103874.9255 108802.7431 101169.1699 85566.80518 84750.40516 82359.4365 85864.87386 91746.42675 83832.02403 30815.01351 32658.10078 30250.57656 31232.42147 30752.19718 31703.29942 10964.28494 14583.26125 13671.25467 13345.67096 11460.03248 10809.35662
Medermycin 538.3711167 47.38309833 127.4091816 282.4042629 316.0206457 159.7443705 238.4123261 207.5876548 105.4396539 237.5149162 224.7377313 200.3507743 2465.026029 2083.257306 1693.817406 2302.406296 2092.626893 2208.747977 7566.656105 8463.664846 6754.658135 6603.724726 7733.614948 5465.228601
Atrovent Hfa 3346.108955 3578.121834 2927.442778 3722.094638 3510.588936 3664.900417 2711.084467 2598.227623 2843.047257 2800.71687 3286.784366 2972.087276 300.838275 32.23630353 193.5797687 27.07864013 184.0243581 450.9540969 21.66286312 227.3333214 26.30496155 5.931519276 478.007198 190.409734
3-Benzoyl-6-phenyl-pyran-2,4-dione 6352.251863 5238.773032 5863.121153 5452.837545 5244.410187 5747.548123 347.5578112 546.5376467 523.0953371 623.8002458 518.585824 7344.191924 163708.3961 176929.6842 163465.9087 171359.6966 164813.3443 141914.1037 105686.0309 116355.1378 126129.0518 120971.2501 121792.0355 127309.7068
Ethylmalonic acid 505.3668834 1026.965801 994.2151383 1095.049477 971.2731675 493.6799143 617.5548636 610.7256312 807.4363119 767.7823237 553.0631821 739.1671259 4230.761732 4793.562644 4224.687704 4709.047557 4555.955784 4418.671813 1592.774665 1419.759632 1836.016489 1526.170429 1612.635966 1682.131341
2-Hydroxybutyric acid 32986.66683 33424.51378 57770.83989 30228.39208 28394.85617 31227.34653 52695.6617 29535.19036 30310.41197 31575.91308 31883.21178 30070.75567 107184.7151 103787.2034 105464.5463 114275.6143 108859.3993 109016.5442 28914.96001 27220.49401 29250.14332 27394.08211 27576.65056 29805.98536
Cyclic AMP 14630.92413 18434.72536 13504.4023 17720.86285 16080.52049 15659.51436 18538.84889 19291.59536 17424.27596 16487.10555 21271.13873 18312.14865 6490.16485 8758.717735 8530.696716 8116.905817 9689.591859 7980.505079 3106.369082 5248.930123 4300.346808 3971.09709 3128.27227 3096.580048
Phloretin 88926.35427 94559.2051 231652.1005 91219.45727 91950.80983 212646.9085 39821.27654 169048.3085 167109.4792 157712.6197 153212.1497 142921.0928 98290.26217 142705.6485 100566.7063 125310.76 162929.41 131748.6505 552505.4903 520101.2124 561104.8829 552758.1401 554873.7504 576856.8826
Phlorizin 241341.6901 248791.4719 21915.07966 244531.1791 239847.082 236834.7907 262655.3028 260600.3007 252705.1346 256886.6667 254958.3284 244817.5766 33782.74512 13110.64495 11339.8835 11837.68936 9428.500911 6568.446541 15529.22555 11014.33506 7947.627808 15439.96049 18827.24172 16074.07246
Tetracycline 90948.33268 79706.46584 81413.62392 89383.25437 84285.46755 78794.75427 57514.77574 60432.65128 57046.01821 57706.04228 63391.35671 65447.3221 195.634306 42.06588924 35.59424908 34.78528648 140.758573 1697.683542 25.0779589 2880.781221 14.56128223 25.88668936 31.83431423 15.90958233
FFA(18:2) 163840.7463 165570.018 187341.4465 190855.7117 174315.9404 158948.0388 188691.1037 157040.2541 155848.5332 170559.1777 188174.8953 192234.4188 171562.8367 168729.0016 151402.9497 182432.1923 162563.7822 122692.3368 136693.8294 146977.7914 152178.2769 151804.3537 141640.9489 137428.3001
Sulindac sulfone 11663.48215 12128.48303 12393.13703 13080.41841 11118.17576 11699.66708 6760.089667 7037.461993 6316.521949 7093.726463 6032.88064 5414.072019 862.3185732 968.2327509 781.870662 496.5196685 800.3519395 467.4973434 1923.041579 1431.512901 1478.48053 2013.660141 1528.701066 1966.52646
Gentiobiose 26460.1493 26620.70122 26139.61335 26352.64978 26698.37369 25180.0672 17823.60853 11458.49813 11847.37197 13356.83831 14570.97879 12743.94125 63116.86388 60705.45755 57112.7827 61105.86582 63088.48912 58733.99973 22344.49554 19250.31513 22843.02201 21650.99745 22293.60225 25197.00633
Sulfasalazine 30560.4535 33925.72173 33957.66126 34651.37914 31660.95352 32105.42282 40828.39432 44207.60923 43438.73495 44079.96055 35071.84904 32519.89874 314100.6422 335545.8883 324506.9153 336683.1043 347477.4153 321555.3078 228265.4345 209781.6992 218441.8558 219318.5434 208611.8812 222853.0443
Glabridin 4496.427214 4634.441254 5664.029901 4186.833758 4506.671064 4724.559483 12200.15123 10471.07064 11251.39825 11589.19179 13567.372 12614.52345 278616.9965 267487.5787 277810.8172 295095.8235 286507.3623 256132.2747 346629.7442 299335.3895 326328.7209 366104.8119 341594.8502 292642.834
Camostat mesylate 1955.462413 158.3786656 1842.625475 2166.1694 2037.942331 1791.249564 824.1275393 3513.429878 1721.819419 1049.784387 2880.253768 1382.394402 37.14102386 1025.512514 1153.128838 1114.726711 138.0549712 82.69275611 3221.032911 2625.597948 3750.15407 3472.651872 1859.909707 2351.451158
2,2-Dimethylsuccinic acid 7252.583773 7138.898006 7836.307168 7351.488264 7556.40104 7926.932565 7536.040514 7935.519195 6824.457711 7693.243401 8930.13705 7595.073735 22880.69639 22246.98857 23755.45662 23257.51336 23744.28587 24010.65392 24643.09336 21364.70792 24013.53751 23450.02398 21398.83531 23589.40404
Glu-Leu 27501.78203 26794.77059 27167.96912 28345.25092 25358.15757 21828.81838 48850.86069 49623.94775 49350.02695 31861.78649 50238.61893 51465.14968 11146.17764 10546.56639 11012.91687 15912.11737 10609.40805 8485.223082 3258.47177 1858.247261 2555.866385 3464.330326 2776.070975 2792.25072
beta-Lactose 899.5667454 328.6217585 460.7089571 471.2661329 208.6825137 389.5394865 184.2018917 339.1996924 1034.44531 327.1516931 436.4553073 355.5372263 5560.955433 4249.750446 6755.609894 5138.86215 5964.959671 5185.39876 14207.93395 12449.1231 10749.17437 11993.74588 12156.46652 14835.1976
L-Menthyl acetoacetate 19701141.85 19713828.78 18982053.39 19388576.58 18287957.35 19023751.05 20992663.94 21290654.2 20772299.86 21098219.3 22165563.53 21051227.91 15683267.52 46877.53458 16021785.86 43350.10195 50822.45669 13088.5957 717386.6244 666591.6273 891748.628 815997.8983 776222.4663 843723.7243
Karwinskione 25613.91744 24102.91052 24095.62766 26177.54427 21944.11536 23612.32975 16069.12495 15903.15627 17369.57834 16408.50203 16408.40897 17387.51681 1013.294941 533.6914609 330.6479544 1450.332973 128.0981963 338.0734428 455.1930597 2110.070242 457.3098015 285.6722027 1134.775234 78.43506276
Mexicanin E 204.092803 352.6430272 338.0165678 721.484938 258.8511055 356.6363776 172.4894755 477.728338 261.7430404 779.3641119 482.81137 435.4843567 886.616417 999.4505767 955.9651036 1049.310037 982.2036413 848.0482574 2832.35972 3457.343449 3204.617607 2956.309994 2788.497407 2831.378678
Eudistomin N 1315277.155 1318137.984 1317498.609 1343740.315 1257170.984 1414234.78 1055839.241 1056217.703 1017806.934 1116964.914 1245048.841 1087315.603 8008.954692 6892.255489 6990.198776 7905.950957 6717.880658 7447.525564 2733.398002 2494.743443 3741.237401 2645.723046 3013.209106 3439.52266
5-Amino-3-(Methylsulfanyl)-1-Phenyl-1h-Pyrazole-4-Carbonitrile 2080.464943 2489.89792 1347.624295 3004.358252 2367.919257 3653.369545 1706.281394 306.1746587 283.9038247 1677.152637 141.0345948 805.871564 239.6034743 246.7870924 142.2882087 198.693348 160.2822193 224.8815137 39.56306149 162.2577141 58.68948294 48.20919647 34.69729144 100.6859859
Lindleyin 2685.701477 8728.306847 2089.509456 4095.953192 1075.178608 3355.229925 4553.434237 2739.712525 2998.133246 4102.243741 3138.975502 3788.231603 2123.211406 4607.491327 911.5221391 1347.215678 2563.135103 2316.637355 3136.825418 1773.899919 2635.303897 2163.738507 2846.215348 1937.754037
Menthyl lactate 95.53437597 234.2386698 117.3994606 305.1884483 79.10113732 145.0985905 199.5876197 168.9917851 261.5175421 66.93720212 270.2342021 279.7639011 178.4828041 176.3946242 222.1067881 267.7566456 54.05981409 201.8926015 1686.365483 1654.986746 1934.283978 1632.556596 2059.356997 1898.168566
Gravacridonediol glucoside 122.7286105 132.4169862 447.8575411 68.36183717 356.0124778 597.8978382 94.19904337 139.683827 165.7901414 495.9114394 243.5714358 397.7980584 7509.613335 5976.327207 6062.19574 4912.854072 6100.211755 5948.482116 2579.744979 4000.226391 3777.905117 4198.796175 3572.343869 4062.164281
Phorbol caprate, tiglate 12305.0937 12109.89623 11986.03812 12034.5456 11535.75282 12612.11496 19033.14435 18948.78153 18949.91698 18055.48128 18243.74999 16678.40083 11903.04939 13812.28292 13941.14862 12600.78645 20089.78457 12317.57499 14003.67725 14872.79591 17138.08917 13029.26034 12904.78766 12973.77057
Ingenol 3,20-dibenzoate 582.6316248 664.809546 367.1967541 1072.448225 498.8641383 802.7011406 2627.726588 2131.88446 2121.045118 2639.015371 1921.880535 2342.095649 2033.96817 1091.593741 606.2432915 575.3668652 797.9504115 1397.38313 171.2818842 498.0648788 369.6910236 493.7521401 262.5412438 238.0243783
Sulpyrine 1422.499859 2035.846953 2128.838764 2867.532215 1534.0581 1515.076907 622.9330414 855.0816839 512.2820689 767.1173843 311.3064603 254.7432339 102.4569605 30.35384399 219.6986546 190.8760044 70.44671859 138.7823698 42.60920536 15.97113739 52.56305062 40.88867001 10.14506526 70.27117747
2-Methyl-6-(furfurylthio)pyrazine 3429.225241 4203.823284 4649.37425 2862.976595 2949.471664 3939.788598 6250.787802 5621.804401 7279.733506 3201.015052 3071.444549 4262.074568 53793.70397 52644.85817 50652.83697 63273.63644 50991.40555 61311.94254 27193.00894 27039.32462 29313.1485 27135.14958 29291.22157 29979.18764
Phenoxybenzamine 920.5052766 2171.867726 938.732411 1844.347433 856.7060382 2879.347803 40.80840073 185.8153095 76.71981216 460.668541 460.7860799 257.7724236 1576.570775 2242.088483 1916.114895 2885.947584 1619.684308 1292.690608 862.9681416 473.9225815 874.2535764 1812.21168 370.2070503 310.8757548
Nitrofurazone 29774.33968 43806.23728 32584.53638 45787.10729 43393.41298 43763.38293 21799.85396 22277.8236 24734.13767 22346.15811 26452.0793 21140.52212 62613.59216 25172.41955 66676.08898 19954.70124 41991.00936 22796.79701 9901.476308 16725.51247 18895.27986 10567.53446 9512.580981 11152.49513
Sulfaquinoxaline 33807.92431 22690.5319 36463.39875 24557.52604 35606.03748 36392.8479 45776.91445 20330.86655 48134.39053 43872.53517 24406.76889 44170.83924 57368.95105 55488.89513 58649.7556 55629.87025 52939.72196 50712.87665 181746.6088 166205.8714 176665.3923 180592.9672 167202.9051 177100.4045
(4R,6R)-6-[2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one 81410.82454 81463.25059 78439.34275 80119.21431 75571.13686 78611.64956 86747.7679 87979.14999 85837.15971 121.7681579 91594.52875 86989.77118 64807.80402 66446.56321 66206.65989 69018.66543 252.1591956 66123.18707 1741.062825 1700.474208 2383.705525 1329.859559 1564.88857 2916.582709
2-(2,4-Difluorophenoxy)propanohydrazide 3679.323597 3565.825582 2953.235207 6540.106744 3471.01465 3441.04262 1129.718933 2343.931381 1983.349825 2002.762719 1961.749539 2352.169628 7462.626067 5404.116108 7987.549359 8755.968498 5671.681179 6093.054004 5554.109453 5249.937247 6432.092606 6099.099908 5723.193696 5911.162265
Glutamylvaline 6257.849471 6891.161039 5847.929024 7224.340526 6566.38597 7199.437752 12757.2979 12157.5804 11746.37721 12121.86536 14189.42521 11599.75488 20035.95023 17683.81127 18392.7569 19037.90293 18292.71061 18804.19705 6098.961647 7121.985117 7314.896717 7138.531275 6494.936365 6755.230114
Butorphanol 2402.873851 2665.858207 2438.947855 2322.981046 2608.861416 2163.564805 4967.736595 5563.229846 5650.704377 5134.480702 5246.513491 5806.453232 71066.1474 65890.84411 62635.23693 67271.98587 69783.59231 56377.09892 93896.05367 96654.79134 97626.62933 104922.7812 106803.9464 92490.77931
Dichamanetin 11181.72541 10238.91409 12043.56153 11635.56921 11561.14863 11255.96773 28172.26458 27908.18318 27166.85514 31046.27587 30420.56366 34303.20502 1356.914252 1864.824141 3909.359649 4546.059643 1998.427015 2695.267969 8538.835877 12688.16444 6814.49578 5956.405477 5857.132248 8208.444267
gamma-Glutamylalanine 23584.68709 21588.06503 20981.73178 20027.97449 20885.84607 21249.67083 17013.13885 16970.43188 16388.83792 16258.81423 14819.8135 14684.83749 709.5570479 31.76771373 123.1428082 67.97640531 69.17189165 50.81177416 715.2601011 30.99906429 709.1555201 40.64920926 886.2574224 879.6739406
Licochalcone B 83535.96301 79853.20155 83351.07799 82006.23361 74753.13309 84610.93348 49318.25056 44114.69863 74004.69845 63256.59822 70622.96762 73935.80782 76961.21941 75940.36696 81405.89288 71251.24308 65957.9282 70498.37413 74297.42466 84753.16647 66471.57691 87779.09837 86970.99988 67843.58597
Licochalcone a 15490.71863 15105.95183 16042.89598 15557.42622 14567.21771 14180.04675 25677.52754 26927.18262 26808.23802 25772.04739 25853.01385 28321.01752 142404.2699 140468.1665 140990.4924 148471.9748 138530.9128 140091.1806 171781.2114 159749.4773 174607.1181 173667.4086 167887.5969 171942.5531
Nomegestrol acetate 10145.29436 11816.04375 11749.36533 11187.93763 10785.72281 12049.62933 64197.939 65109.22692 63524.04076 64520.73921 67784.79853 64377.03424 47961.20465 128.5884566 48996.43202 51077.46494 12.37451695 48934.65772 36.47806591 43.04172943 37800.02711 37261.83422 53.15663638 42.07347771
cis-3,4',5-Trimethoxy-3'-hydroxystilbene 6569.414731 4773.961657 7368.676363 7103.141407 6446.638074 5510.6531 1561.848311 8219.526073 2138.919323 2188.59291 3856.992365 1529.280318 64474.89632 67534.2342 66406.67145 68411.01535 67265.19032 67456.54139 36585.0445 39408.71177 38206.98569 40137.91563 40210.82206 41425.48939
Carboprost tromethamine 750.5653769 570.4745804 302.7483164 378.3188433 432.3175314 544.9788532 1474.402146 1206.015612 779.8662218 1073.886745 1149.534697 957.8989399 2029.988289 2164.250805 1881.105917 2364.117177 2652.555522 2412.05093 45103.46371 40956.0177 44711.4312 42051.26518 42019.93353 44725.91739
Schisantherin A 491.1395504 385.4178521 429.8939414 695.0374251 844.7185775 402.9510301 1223.181888 920.4145826 1322.426695 1132.954595 1405.627816 3219.337324 10628.3585 9397.681227 11859.54762 9559.383119 9725.666644 9185.025084 9650.877352 10603.87959 10539.53623 11205.28254 11482.84746 7875.901286
2-undecyl-1H-benzimidazole 230.4464828 474.4344596 135.6408426 168.8924207 120.2075969 196.2598233 342.124159 299.7902976 338.6373576 95.95826239 346.3460844 164.5874299 981.9569161 1696.356793 737.4201241 1111.823302 1083.718773 2515.871685 1327.85964 1383.379767 1355.260555 981.9669724 1561.789151 1188.585029
Maltitol 22089.53967 20656.34331 20759.16917 21676.11378 20501.35191 20631.8326 24271.38655 24100.32402 25471.65036 24877.92648 24009.63716 21968.08816 1337.797706 2207.149375 1181.76023 25047.04648 1670.387035 487.335559 2173.576279 120244.0091 159.9147824 1359.924957 872.814061 683.276701
cis-Aconitic acid 41032.00871 42125.34554 41784.04273 41887.30377 41813.66654 47064.96329 27526.4436 25773.10145 27699.70239 39860.24482 26491.90997 26128.57419 59625.69521 62644.79309 58359.01425 61723.00021 58172.02127 57021.06363 18595.74313 18562.18638 19583.4375 18090.40525 30519.47037 30515.8875
Uvaretin 5948.117426 3997.59091 3385.583834 3035.759405 4272.799103 2653.06673 3230.494596 2409.104681 2921.0132 2271.729775 2324.370411 1270.742998 7.22753441 6.745713054 406.592193 134.2049936 113.2910549 4.336513464 39.7518903 17.34609358 21.68261024 27.4646592 40.95637161 117.9375996
4-(4-Amino-3-nitrophenyl)phthalazin-1-ol 5411.57313 6196.002019 11857.74494 6940.738921 6388.295296 6178.612412 8299.751256 8082.063333 7649.20344 13326.98067 7358.226359 4255.168537 59197.2171 51568.05195 50053.44065 52441.70658 52821.92536 51631.13007 78482.27326 76748.79891 79409.48495 79540.18432 79578.00741 83006.79292
Adenosine tetraphosphate 1935.47033 1477.897139 2164.733785 1062.027127 1139.461423 2007.094133 475.6283086 404.5436966 853.5065305 1014.025696 421.5382355 920.117291 1777.331428 1145.075989 916.8348064 985.4555527 633.0005001 872.4719723 20.64752416 85.8330782 50.66568361 86.79435419 2.921660674 54.79905514
D-Erythrose 1736.130681 6370.688116 6717.778084 7017.161759 7541.692072 6893.096801 4557.161594 5373.191018 4559.435301 5126.94128 4745.991943 5523.807305 106537.6211 97844.80473 104899.7872 94522.68202 104168.195 100726.8727 136390.7869 143139.8905 135061.8699 146711.3552 143070.4084 150407.0639
Nicotinuric acid 294.4117999 314.3661785 265.7504924 425.519486 276.0627821 307.5314848 493.7482636 452.1303349 286.8135392 431.9233389 436.0077923 331.2647064 1126.597288 5089.61303 1239.646264 5489.437146 432.2029574 5393.197552 59160.83475 59307.6972 62251.55477 68532.99424 58503.42939 63661.91341
1,6-Dioxacyclohexadecane-7,16-dione 1688.164306 1610.278955 1727.80238 1391.736166 1906.071205 501.8332942 2670.547437 2537.925893 1663.028161 1765.983619 3140.909478 2270.392463 568.0978902 854.3949957 174.2789226 658.9841449 516.088072 350.0603054 564.6033261 564.4695283 633.7364138 1057.301356 377.4635116 1590.294381
Isomaltulose 17432.54421 14378.60917 14927.7434 14798.47374 15212.85327 15936.58087 9082.828941 8111.868529 7299.102668 7875.51 8617.821674 7763.437347 6026.222983 7456.995477 4385.765268 4937.811852 7678.398539 4980.2303 1888.129698 34.50481343 756.5268115 295.3358415 112.0749866 156.9787711
4,6-dimethyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile 938.051071 1132.616606 1090.477173 813.9157831 828.6358771 1368.866685 1680.721533 2049.316221 1978.752184 1835.218228 1933.132695 1906.590982 429.4183916 104.1281071 6.209575614 49.67632548 233.7210857 13.10911618 146.0360804 144.3971751 24.66572301 466.865824 164.6359854 325.2630974
Pyrazolynate 14782.85148 10318.37069 11639.3667 9087.227222 10242.48408 8326.740668 6947.631946 8628.614292 6699.815043 8178.546156 9533.099165 8604.507931 681.0003626 385.9667843 25.10820124 543.7425535 548.3399504 795.7870354 34.45246704 61.27598503 46.87413783 420.9542487 53.95293368 26.24963789
Matairesinol 2229.177709 2845.570464 2793.804434 2787.373743 2862.451928 2836.985511 1064.390512 1179.597248 897.8050808 1221.206854 1059.114533 880.3036601 1547.310424 1676.376844 1228.983701 1533.843894 1732.324311 1729.211683 240.449577 226.2310543 267.6251236 493.6049833 118.7918772 378.5049472
3-Phenylphenol 143822.6062 148163.6401 147473.4436 155379.8239 140613.1717 140825.4965 108439.8138 106256.922 105230.8941 103914.207 110989.7914 103104.0729 65834.14221 912.5748184 186.4614206 632.6461807 366.673897 211.1447514 343.4827055 436.0640815 394.928313 398.1996632 410.5912357 321.474255
Uridine 32360.1226 33194.00791 32184.77839 38269.00396 30134.06103 33723.36929 12128.4053 12841.90406 9725.883509 11834.31284 14835.90966 13319.79673 139936.3569 129812.3866 126084.2872 123679.548 133363.1663 129766.1299 86640.47891 85370.66647 88971.32873 92717.23171 83536.12304 93348.83765
Adenosine 10283.20829 10409.88902 12022.54078 10325.77838 10949.75996 10162.99572 7333.850717 6006.493446 7055.911574 6150.65871 7316.95867 6273.783752 2600.108815 2853.956491 2357.016931 3449.458613 2120.134 2894.545192 7814.895268 8305.505755 7953.011344 8554.823687 7683.724909 7718.001199
Chlordiazepoxide 3853.005288 3682.376387 1751.954848 2181.416805 744.7321042 195.8938516 1242.640779 2084.748526 2125.326826 2630.130017 1781.093057 2369.584524 59777.44847 51709.74474 50141.65469 51860.55425 35295.59931 51342.31164 59002.74984 58616.4182 59832.87322 59494.93818 58247.41742 64745.0608
D-Allose 4717.931899 31048.5078 29881.90033 29367.85161 30055.18809 29395.44121 10271.27854 9531.353572 11469.58476 9697.258528 10207.25074 10715.04527 63606.08213 64547.37384 62524.22868 63549.29833 61887.6651 65988.78401 42729.61912 42275.54115 43634.15166 4469.579234 45169.48162 47158.58336
7-Methylguanine 327.3167269 4042.811975 98.89195411 6030.425884 59.82872834 2875.76067 1212.382291 4085.364978 733.7945708 2731.945039 3415.389453 1799.784418 69459.0041 69614.92888 68153.42617 70581.64436 69097.98541 65170.79196 83603.11005 83825.42008 88531.61888 92825.74935 88330.65224 84681.70098
Cosmosiin 2848.489344 2938.936011 856.731093 2960.54598 2496.717561 2792.566166 3777.45965 108.0787115 466.543033 4268.196933 1679.756442 434.4208356 65799.89526 65562.90933 57560.72388 61286.80726 61740.80741 64975.06407 109471.4922 109627.0839 106734.4208 107526.9395 99108.77598 104781.502
m-Chlorohippuric acid 2534303.131 2497358.618 2306463.868 2614385.021 2369571.654 2380529.827 2086325.328 2102120.138 1938464.868 2097074.482 2151288.938 2069963.325 62181.17652 61800.18739 58495.78237 63413.91392 60759.08709 60767.02078 39653.3845 36372.42666 39301.37738 37447.3954 38700.07055 42874.44533
4,5-Dimethoxyphthalic acid 244082.3528 226621.1414 229423.666 230580.4573 222116.2246 221461.3466 265525.5196 242410.5391 262066.4468 263083.5379 257328.9198 285834.946 35038.78414 38500.80897 35292.43706 43619.45626 47504.30509 28118.31541 19492.85075 15768.11137 18354.57179 14676.54857 5411.514106 7779.665737
Asterric acid 280.7700096 176.9102923 147.1191762 404.5505209 577.7007852 855.248812 145.9733127 1161.582101 96.65581973 834.8323628 415.1558612 275.2881525 13775.30302 13095.35812 14176.29508 11959.56014 11132.15023 11789.78221 14498.19481 15994.05638 13379.92364 16268.57829 17018.3726 14503.02891
Kansuinine B 1812.704573 1518.129597 1654.087333 1450.090528 1286.497463 769.9032336 2219.428809 2626.34383 2585.838431 1910.710353 1307.701586 1308.317937 3487.171698 5308.291153 7242.814893 6664.536289 5519.060866 4408.482948 5629.248945 7180.917263 8495.423593 4252.356493 9553.242951 6136.590963
Mancinellin 354.7399721 382.2148268 191.7630262 136.1436828 549.957098 98.19759864 419.7006427 858.4916754 558.3496643 813.4006883 484.6677718 701.5045119 258.4031482 314.1618091 346.88729 960.3857817 894.1525937 837.4293261 5073.439139 4843.042156 5458.092244 5352.902225 5068.125971 5406.67974
Biocytin 2656.648604 2749.599891 2579.889861 2432.772941 2824.873858 2635.749423 2235.936116 2476.274233 2461.709688 2113.167858 1653.711328 1728.954408 2.045880609 13.30943544 14.52991197 96.57944469 53.88785819 4.258763814 64.83876509 34.02833428 19.42425752 90.01870629 57.11792488 60.79207227
Maritimetin 137422.6154 140808.8738 143275.619 140492.51 130753.6116 133136.7205 64976.26172 62173.3379 64745.72339 65219.70859 60324.69929 60527.82039 64706.69755 70916.05774 65178.62974 68926.71752 67013.55616 65602.60523 215019.3268 214379.6081 222998.0113 219006.561 218224.1639 227167.0803
Eleganin 30767.12695 23675.61964 27625.56511 23357.69947 29537.56601 26316.9566 161584.1656 135769.1119 128188.9374 169911.9182 156466.5738 160635.7428 225866.5459 242754.3469 251106.3392 256639.2326 291153.5264 252162.375 39030.97744 28941.19978 35347.61821 29982.71818 34815.07766 41613.65345
Isocromadurine 20759.26002 22885.58159 21202.33957 19764.42888 20956.45644 21647.73229 8555.193566 8564.043793 7388.969256 7964.397594 9763.794212 7743.415807 45424.07157 40425.9284 39362.2198 43951.14502 28066.22722 31387.45792 99085.23483 94268.4416 104304.5134 103632.9866 96554.55382 97205.49207
8-O-Acetyl shanzhiside methyl ester 2473.668336 2381.808637 2128.366023 2186.633326 1409.471452 2596.877522 895.6857027 55.63664742 159.0105966 593.855717 331.6430274 1161.378566 874.2198863 2688.878556 512.4051189 4069.095565 552.7015535 429.9817313 2281.969281 1795.395292 1738.214409 1859.838848 1861.49248 1069.694147
Phthalocyanine 368.8366083 281.1656205 458.6708934 399.741511 225.1928925 465.1517837 558.873185 631.9214265 724.2003946 866.4764298 1188.366744 955.6943763 271.1532652 245.8673828 193.6392017 370.2041694 205.3810151 244.7135176 974.4569213 1166.507434 1282.786756 1024.849891 1123.238369 1221.917861
4-Hydrazinyl-8-(trifluoromethyl)quinoline 102.3308162 238.5971462 787.5799289 921.2313821 492.0755857 569.8661634 714.7456219 741.3739343 935.349095 543.7632571 1792.606604 3406.918441 14284.48967 12472.53948 14756.22429 12821.8862 9475.456146 12080.7179 14260.9219 12599.07917 17546.14861 12728.74698 16884.43438 13800.8408
Benzo(a)pyrene-9,10-diol 57845.9141 120954.675 51745.03294 56233.04236 49316.02661 51001.74595 37225.3774 37374.90122 85352.26745 95531.55352 41471.70239 85844.29775 332.5211575 286.2019844 241.3870481 155.1505769 2874.48203 286.5799009 275.1551255 167.8289948 17.95034546 413.6077031 169.3351233 82.93615803
Congo red 49234.20641 44463.22029 44793.23022 42853.87794 43309.72991 48868.92258 46997.78488 48363.57853 47630.10094 43718.41498 40755.29653 46527.43061 12001.96725 12924.15059 14222.69513 13363.52386 14858.5462 15312.50392 4810.737924 5826.251527 5196.363025 5263.09238 5259.564692 5901.980445
O-Formylcefamandole 827.601862 439.0937053 465.4104877 161.3606 324.4176726 111.3649363 563.0208299 282.8257499 224.2997773 366.7743264 93.70936998 66.20797669 999.7397782 1493.151721 1241.057704 1972.898963 1889.294114 1240.547069 384.597877 384.851787 351.3253838 234.4433251 420.3329666 123.1917469
Avicularin 38686.0189 35238.46098 20726.8244 13210.48824 20173.17846 17830.90296 42395.3551 35214.56082 38517.27969 45030.12267 41617.45236 33696.39693 73679.60781 86124.45345 84645.22541 85465.76863 77693.67532 77761.57735 400448.6333 476521.416 424904.6672 413370.3365 414836.6675 454393.9754
Norstictic acid 77726.22479 85591.02488 95756.67639 100483.0103 86274.98514 83920.83021 55455.35836 57545.93787 52666.58428 53816.66049 58343.9558 53334.40572 54532.0444 46268.50734 54707.43575 25287.54077 40491.66003 50462.01447 7513.392055 3279.452168 6206.235291 7861.867788 5556.751758 8306.457772
Hymenoxon 1093.127182 365.4549483 197.4904728 345.2186091 383.563175 239.6703283 2111.408093 504.7126705 2763.980914 1031.116855 973.54875 715.6005363 8838.109261 6990.847972 5227.648636 6615.496402 7369.698508 7784.383325 9373.680882 9264.249395 8909.082579 7568.330656 11715.24545 11224.08608
Avatrombopag 216.0538619 972.9087243 671.5821516 661.9261203 212.3145217 505.0644476 1348.533051 504.2523845 448.8356764 748.9262089 1188.390195 315.6317073 2609.900897 1335.199056 2478.612815 1808.219933 3586.54807 2798.707697 1886.208787 509.6160031 1796.65103 2043.90123 1999.238681 1233.537595
Homovanillin 1803.573488 1941.761378 1004.772428 2015.420779 1517.439369 1708.245543 453.4225238 1301.217377 824.0577126 499.1170027 736.6868861 981.3799016 37449.95736 38424.53932 36825.79084 37769.67621 38928.50691 38497.87754 6259.220573 5614.39754 5790.727225 5632.354822 5436.653992 5911.24121
Sulfamethazine 109315.7915 107378.8894 92526.26859 95850.43296 101856.5604 103774.5098 104956.6022 101529.9752 100795.1487 113060.7247 100824.6748 104258.4631 15834.24259 13635.12915 15869.30942 16815.37872 16946.17418 16868.75776 8397.922476 8073.432206 7771.781645 6447.037748 9965.914838 5519.524228
Chlortetracycline 31615.90388 37162.04016 34483.68959 35690.1426 33384.14522 23686.12736 36118.72218 38103.92483 35409.66303 32967.58158 42204.192 36232.69974 56480.53539 55693.00455 59250.82068 54811.46625 51196.71167 56701.98404 32907.99289 6564.172409 31324.62344 35060.12601 36571.10723 2471.442276
FFA(18:0) 646294.34 677361.2876 615767.0935 544951.8016 539189.4583 512263.6051 748060.3678 858566.307 848415.7005 915148.4727 800743.1818 858664.1018 897929.1953 866119.7238 797856.6914 805684.5937 800102.7197 905075.0767 1010962.43 945773.9081 927927.5638 971342.0008 1006780.065 976547.1778
Nepitrin 23620.816 25081.91629 26379.00701 24449.94525 25097.93459 24203.55346 24092.34325 24763.73308 27840.74841 30367.43465 27434.81157 25304.95471 84038.53593 81605.53072 84598.50531 89719.97074 79068.47163 80444.01546 77344.20152 33817.83766 82547.02164 86144.83366 83502.15084 84839.30731
Apigenin 7-sulfate 105788.7262 104121.2208 98310.44289 105288.1141 100706.6372 118526.9474 86323.29591 56028.09127 85223.49684 85688.39882 85913.08914 89028.16662 3148.353093 955.6404099 1146.72219 2678.326923 2146.634999 1605.952858 1625.729898 2449.594961 1549.484314 953.6290565 365.7028561 1031.174922
alpha-Peltatin 59738.46222 52141.08051 5038.856345 20790.02864 5320.479705 78250.96423 112322.8433 76015.39776 92799.83492 57178.0114 76023.10115 59358.55502 359580.4472 264854.5615 360895.2006 328349.4768 182189.2391 315564.1112 253806.74 165872.7051 179366.3293 104176.3813 100123.2999 98072.8565
Vestitol 39011.18287 35241.33153 35803.26876 38654.32699 35527.52276 38214.0435 18261.06583 16875.72018 16016.55877 15811.25359 15809.5458 14348.18215 17306.87093 16091.41947 15246.35187 16451.04568 14764.77163 15842.78655 17970.0288 17671.60062 18631.92952 19808.31199 18897.23243 18982.33236
1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 20019.65637 23836.45625 22212.97952 19926.40407 18445.28476 18953.14468 54008.40117 49317.16063 53407.729 53732.68505 51316.07207 51637.72015
Steppogenin 647543.862 667317.8469 665564.4541 660218.2478 619575.6491 626200.9634 581732.7805 609635.6217 564240.0321 604576.031 572153.9551 569242.981 134821.7315 137028.6033 126650.8341 137693.6714 125866.3861 128470.5065 8089.648005 13290.4151 19680.54784 21632.99812 14262.37341 25479.43372
Flurprimidol 33412.00462 33659.3546 34460.46509 33621.51661 32106.94416 35244.21704 53920.6954 49286.18609 49284.88423 50429.78076 50971.07589 49298.02125 7248.140908 6374.884084 5048.789178 6776.852946 4604.974437 6241.326729 11747.08272 12226.32555 11914.15759 9546.998593 11502.31548 11832.88372
Ergocornine 3908.103894 4095.638308 4103.451266 4286.774881 3786.664163 3550.109769 3599.490244 3288.159355 4506.170033 3872.993141 4010.157839 3575.923751 7699.290317 8136.443951 7106.395865 7368.622546 7812.147638 8186.291756 16318.71689 17056.43921 16591.24282 16578.38276 16656.04301 17660.03802
Doxycycline 1361421.201 1137107.552 1239678.923 1271906.553 1257692.872 1379403.73 663174.9073 672588.6563 64882.02817 666509.4849 700227.7361 21963.89395 618156.0768 201.5313868 1136.976016 642244.8321 564548.9583 636551.7624 376781.8491 368277.9185 391284.1671 391007.1722 463587.9744 405784.8372
Helichrysoside 2038.952275 2258.040898 2479.06957 645.0330328 3216.4749 436.9258176 2334.606474 227.9578962 936.4026244 2470.96811 126.3259696 608.7920261 37726.99796 42055.49174 22311.1805 44119.04431 52468.20964 33631.58428 47675.38118 64360.38894 76864.6015 65890.20162 72709.63092 56564.52329
5,6-Dihydrouridine 23022.26056 30413.40537 21050.91082 21393.36483 11879.06982 38508.5327 9105.507083 4147.559997 8757.432038 12492.12541 9846.412462 13199.41188 391.0796391 1413.291523 470.1188748 792.6539319 811.5929657 221.4744408 580.444717 1276.150272 1197.940988 1059.515857 1139.587634 1319.590482
N-((4-(Acetylamino)phenyl)sulphonyl)acetamide 2879.288472 232.7025913 203.5421141 147.2832791 171.0672493 2506.979927 3484.151725 60.14799548 2222.14114 2554.980481 2585.896026 2006.30872 119068.6095 122833.8753 124106.5701 124094.0187 120291.8779 121682.0694 199755.9872 195683.1175 195871.5681 209445.7138 197816.54 203482.0462
(R)-2,3-Dihydroxy-3-methylvalerate 2838.753055 3196.118771 2895.560322 3049.195846 2503.101343 2493.917166 2948.735218 3125.445478 3562.009871 3004.084364 3219.577668 3071.615526 4829.325959 6898.904915 4710.45278 4983.340615 4474.850714 4888.729714 1835.467258 1944.172511 1925.377725 3950.163306 1945.805874 2375.408463
Cefazedone 105.7767158 376.5373394 239.5220263 388.0777531 113.7803746 659.5013351 562.5126048 115.565073 372.8133141 464.6983875 465.8215799 633.4843124 7191.188088 5665.000221 6089.953087 4695.062973 5143.024846 4056.928444 5876.408884 6582.838255 5547.413016 6133.977216 5700.445606 6023.756583
Heptethylene glycol 1100.677145 1594.47567 1559.828177 571.981103 1931.64991 1445.602264 2046.617329 1028.373924 2832.662453 1076.909873 1773.081191 2371.503282 2701.621795 1717.321522 3084.331403 3491.278739 3197.820646 3279.511142 4225.988916 4475.035678 4388.101049 4194.165518 2232.453088 4681.058158
Sucralose 58342.99701 68692.96559 63718.62301 64160.74143 78406.98588 55270.78854 61742.78725 50848.84639 50961.97513 67031.73059 59956.68171 55962.14923 10083.54658 12422.27747 11770.73921 11665.09269 9999.57861 10729.57781 9681.875303 10434.49366 8659.422621 10414.53333 9880.281998 10025.44876
L-cystathionine 1060.506227 2007.863566 1361.453389 543.0030635 1129.227405 509.917544 1398.36041 930.6709409 437.7229551 948.9868236 1181.58046 638.5308992 20567.1741 20796.91615 22340.27404 21606.98849 20660.15808 22405.0402 22091.32233 22417.75477 23635.364 22527.76352 21528.25103 22890.77565
L-Lysine 1948.063366 1810.731941 1746.822582 1567.161451 1816.907808 1849.380222 2393.605001 2534.107589 2390.537536 2605.42748 2303.158779 2853.818378 2767.443517 2538.625858 2544.674382 2711.608507 2635.663042 2592.184614 743.5146687 642.8806022 826.9937227 788.489731 674.6693974 935.3885006
Glutamine 117786.3493 116273.5925 124686.263 111602.7224 123458.3056 115921.3482 71792.29699 72218.18216 74050.08844 72196.05523 71573.7564 70768.15497 196801.1695 208985.4622 188987.6871 199260.9114 196030.3789 198814.8395 30892.96363 31223.58136 31503.03461 31080.4763 33377.12239 31194.81934
L-Aspartic acid 36428.00808 39402.87757 40298.13464 38741.29372 40700.25323 39976.70402 45496.10893 47548.6544 46689.96232 47799.81272 48777.56537 47008.20394 103657.9886 102559.404 103859.6155 102500.6588 102677.5071 100666.5486 68365.36547 69503.51995 68759.97451 71487.67721 71081.00002 73412.17609
Glycerol 38332.59414 33967.39756 31642.47803 30534.97966 40229.296 31646.55923 18134.12515 16757.30688 15958.63706 14550.98525 15972.90242 16308.77283 70301.43885 68996.31091 82248.41152 77313.60618 68919.07337 75303.66239 88347.6377 90102.09663 91812.1423 89165.39181 92470.63405 94751.18934
Chloramphenicol 59827.48754 60494.42678 61788.76002 66026.84969 59643.0705 58932.26034 50143.43872 48292.74918 57364.12319 49797.37971 55726.0892 48137.17875 5382.050311 5819.552346 7098.110607 5791.289407 4673.651663 6334.793387 4756.05415 4538.621052 4618.876088 5174.155692 4973.722905 5802.54021
Glycine 60817.41525 83934.47242 67785.81024 54733.77095 50932.55547 64192.35032 26226.92926 19180.31984 13286.38639 17023.6836 16038.19774 21608.52248 58163.09329 74744.95255 52190.60192 76188.8728 56063.20826 76755.13476 83079.86067 99254.94666 80999.68489 85327.67464 124901.442 90354.85322
3,3'-Dihydroxyflavone 80597.34344 97095.80189 93396.21563 94479.67568 107080.4645 81302.38867 17381.07119 50843.98818 46256.73591 80023.78465 105036.6117 30493.38659 57521.42056 53227.68134 45683.53438 60541.92183 56213.61339 45692.30125 31098.55736 26235.75502 32921.32501 16764.25936 36874.03641 32779.71718
Thr-His 22.51719836 176.519445 74.84956738 190.6532923 70.0482378 319.8964732 42.72981406 65.29578088 958.2712675 1118.97451 850.8013208 31.68723697 12335.4535 13322.23771 11494.22924 12012.23249 11547.56002 11163.85442 3243.104144 2987.358904 3505.03755 3373.259306 3562.236753 4060.909097
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate 1446.083614 1963.496884 908.6164128 1543.372615 4478.339897 1100.592745 7191.645099 1802.757674 3259.572864 3216.070493 1961.171878 2156.152218 29346.64353 31796.15435 28378.35949 30675.43853 33842.26046 32432.55273 42297.89385 39537.69778 42394.74521 42526.01276 39499.03686 44982.62443
Maleamic acid 16851.47389 16131.48207 16178.07994 15799.76072 14869.94662 15785.04057 8437.726131 9151.187177 9143.299059 8585.222791 7951.145514 3855.370942 19673.71605 20328.39088 21215.69006 21930.30365 20776.59224 22104.62921 18149.29892 18184.3899 19859.9855 19372.81173 19307.12885 19263.13348
N2-(2-((4-(2,4-Dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine 20813.45576 20868.1879 19053.95967 21260.1298 16929.22822 18530.98877 79637.70916 63797.41458 53181.19587 72362.3102 118122.5058 99002.43428 41593.63528 35350.32464 38445.28795 43420.33197 32821.83562 32158.71411 3154.364734 2367.593549 3518.549455 3716.379261 3341.065157 3541.201922
Acesulfame potassium 95098.78415 38050.24189 59794.25607 91532.14394 39733.11818 87614.027 27141.55768 12955.85652 27670.076 15681.91729 51653.46362 54180.06306 18043.04321 14259.25839 10313.73239 12115.14423 10290.10576 11485.11288 8807.74597 8654.991691 19162.89973 9854.861814 7906.981895 9016.62017
Mascaroside 26687.69812 29980.12561 22863.57177 23421.15605 23292.87173 23057.44187 16744.73316 19451.96647 20968.3467 15294.69791 18432.11045 18625.82132 8244.802253 1543.267089 2492.79227 8079.401422 2503.854996 902.494897 14582.85479 3961.30265 2520.537102 22824.91772 2008.277102 4064.365895
Diadenosine tetraphosphate 46792.34672 46510.15066 46606.47815 44146.03332 46809.37906 38347.37674 24860.64644 21618.13959 21729.70881 25103.89904 26108.89743 22293.59514 61.88520879 1495.045488 1351.632018 882.1297598 519.5842647 1057.582716 847.7859685 822.9558868 1242.365067 1287.891544 923.6929908 783.8915473
beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate) 7286540.585 7292844.516 7275182.489 7582550.053 7056187.14 6885913.926 7972619.65 7755457.204 7783335.35 7773132.017 8321107.684 7961548.014 1273811.577 1286941.941 1192506.401 1294564.361 1219372.794 1219504.615 542258.6437 477972.5844 532095.0494 509798.9289 493811.1025 524837.9249
Glucocheirolin 7519.887648 6311.082088 8078.128715 7131.281798 6071.50661 7553.000963 11088.66946 11865.25868 11407.57911 11430.56444 11526.05934 10848.45846 12365.19879 11269.94675 11569.37068 13175.07039 12350.02159 13033.82374 30418.17066 34619.67268 29866.71133 34191.53442 31216.12699 33293.43657
Methazolamide 241219.2629 238112.5629 246954.7796 244585.8339 246667.2086 239350.8609 211055.2247 201847.6871 218490.7319 210230.7429 210488.9246 200735.1235 215913.3837 219757.1489 217357.7169 213323.0133 204438.5922 205940.746 237388.4078 241783.2611 249090.4011 242208.4932 249875.8474 235895.0259
Linamarin 1911.199104 1502.790552 1933.55089 1650.115837 1743.090358 1576.924449 265.5085064 1166.364298 451.529623 543.2536699 498.7031868 398.6584572 12477.66451 11413.385 12148.0501 13484.77665 11693.63789 11880.3511 4863.680054 5774.442927 4384.904299 4796.755378 5298.894609 5062.880328
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide 51535.586 52970.31832 65678.19605 53525.25555 52133.26962 49602.10617 55499.54491 64667.15787 63630.45183 64475.96439 58139.33985 102187.5381 4657.52158 3313.23779 2194.641941 129.5298934 144.2281354 4421.427361 52.09914867 2790.543178 3577.754157 108.9778151 3527.96284 86.03534441
Beclomethasone dipropionate 375.2172008 135.2208185 150.5457416 180.1104481 112.3270155 120.9488033 21.06564126 40.53400469 25.93427099 15.4849009 14.70232612 21.38466132 2.50811141 1.385567261 8.3611471 8.014508891 11.06733453 4.873208197 7.247965948 0.461852225 11.38789598 13.43581535 9.465760599 7.787474775
Tiamulin (fumarate) 136.2157549 201.2917347 191.5083021 219.2483125 120.682039 127.1963301 24.52607306 102.5827871 213.5735307 124.4071605 151.5947203 175.7184601 706.8599307 1191.601606 1505.667805 760.4538948 842.4597298 666.3727 1540.250438 1524.786341 1554.988206 1927.630946 1100.008395 2149.248809
Kefurox 2765.285901 3350.099615 33.47461161 3285.480952 285.966262 2522.698523 1677.030344 3627.801048 16.88725751 3362.483583 4325.231922 45.13576289 31698.11499 34978.37652 36006.70319 43487.81773 40343.34421 39428.40949 50161.16899 51980.26871 49657.94319 55970.823 49813.26038 55140.85035
Davercin 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 10374.58949 9972.492423 10631.24048 9717.82824 10734.37708 9262.952716 8151.24656 8276.256205 8298.291518 8607.765393 8038.775589 8876.973255
Salsalate 442545.9007 439534.6198 417980.1493 426813.2301 405071.596 403658.2939 140245.7335 149509.0489 143986.9308 139365.955 101109.8506 91571.73768 40695.3285 48024.98751 40359.78012 41535.78167 51859.59515 45766.48006 14879.48943 15115.60499 15916.4795 15733.83227 15454.19706 15802.16955
Daidzin 113821.7288 121895.3794 120235.545 125819.0261 117806.6035 118311.0781 127165.6259 126329.0038 126455.6786 133062.1572 139993.3434 122761.9296 8002.059319 5202.907012 5790.816736 2096.580632 1349.955231 5459.913078 9613.194061 6002.836657 1823.986931 6129.211214 1709.412751 3687.280485
Rhamnazin 19913.63154 18134.28154 17465.1493 19638.3711 18424.76394 19277.57925 102419.9312 100180.0321 93984.02115 98628.31002 104966.0358 106374.8399 1907.412619 1163.62414 2548.02697 1191.585699 1492.659413 1823.867899 2620.240734 3258.916672 33.56818521 194.110377 1047.285288 3149.076993
Kaempferol 3-sophoroside-7-glucoside 31227.51122 27147.65889 32964.24809 28934.54983 29542.34768 28043.31986 109212.2488 112308.5521 105307.6339 92737.86965 108201.201 85967.81019 6.063601478 211.6775673 122.950647 302.6320881 11.23647985 77.45650758 217.8784211 243.7279533 368.2698274 171.1509832 479.4006682 286.7702886
Liquiritin 349814.2529 352319.1198 360693.3862 363140.0275 344282.2899 350962.9129 538109.6333 319450.298 316855.8038 313887.2329 320248.7304 309804.8915 1581525.105 1137528.068 1104988.26 1124232.91 1119527.908 1114773.357 508052.0999 487408.2284 686178.9871 700276.349 689626.3933 690186.4264
Dinoprost 1016.050203 940.9662543 408.1004113 1027.577227 879.9817127 808.4752684 3313.928801 2603.792519 3211.216241 3169.035004 3445.414215 3253.135863 3368.697172 5022.79884 3363.855419 3937.589497 3693.19992 2960.190492 9164.396571 8112.633437 8562.024614 8468.831453 8785.895702 7943.939506
Levothroid 2758230.079 2760006.294 2657555.132 2714469.828 2560379.212 2663392.953 2939047.775 72484.80689 2908196.019 2953825.901 3103257.899 4582.601943 2953329.074 61156.79004 2247017.574 2341866.033 2225331.601 2270500.385 1678303.106 1628424.219 62095.8106 127368.2702 85616.28338 9909.135832
Epinephrine glucuronide 3914.04794 2008.188957 2535.879871 3179.922398 3380.367236 3068.772597 895.9483128 146.0977089 861.5538514 1067.263998 322.0970113 339.6025393 1999.205805 478.3744169 2086.740113 1111.923157 602.8055043 1531.918317 901.1447211 1236.930757 536.2506377 1019.158512 1075.610208 1749.514641
C.I. Natural Red 20 96216.00467 111925.6314 106401.3443 103016.4529 100532.7765 108697.3413 75394.41941 66267.0517 57698.47061 69292.39716 64321.0362 66477.01041 3523.469163 4635.921591 3220.971122 534.3125474 3639.993498 3698.337308 1945.403456 3367.095436 591.5968469 1695.297256 285.4736797 1599.370777
4-Methyloctanoic acid 19769.44381 15835.15149 15117.75464 15021.27486 15428.12212 15585.26223 14541.15228 13755.2222 17155.65998 15488.32593 13399.26162 15184.02112 22126.08378 21915.39457 22302.78852 21275.07278 22542.75554 59533.80738 30614.31539 28573.74578 52895.57299 60778.1864 28783.43481 29144.75384
Lys-Phe-Lys 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 77.63696517 67604.53807 143.7608092 70221.46473 65446.75698 92.10148511 6376.535327 5204.749436 6274.145587 6225.021802 5700.164073 5700.59778
Quercetin-3-D-xyloside 2970.185024 7762.55405 6240.691756 7339.549229 5546.548169 6883.204376 3886.10916 5881.094146 1127.791454 6549.181042 3007.254216 5837.974571 523.4562407 545.8023651 444.1225732 273.5616509 411.2234327 625.6683197 552.1256924 501.8087621 548.7772916 53.81573882 114.0528624 79.5005692
5-(Tetradecyloxy)-2-furoic acid 909.2750733 1126.138545 589.4554579 1635.573248 907.7162093 530.8980243 4059.324861 2404.219219 4373.695859 2493.123927 2524.482483 2543.600551 1861.442015 3665.527253 2044.558187 3764.181835 2244.707533 1717.045655 5491.285042 2907.035025 4874.811677 3082.298379 2414.74773 2413.452996
Gyrophoric acid 73047.00514 67817.37222 79465.74193 68715.66344 77357.63581 90065.8261 52527.24027 64019.87806 68310.71607 64526.60085 63529.53672 55093.94684 68353.21991 61331.2556 71278.22432 56591.82324 61348.56778 85439.79803 18435.25135 16561.4021 14442.11563 18436.34882 19966.17924 20648.16574
Galangin 11488.44505 7569.164917 4693.088324 17566.95412 8349.665718 6159.927906 136280.4346 120295.5485 124717.4881 137207.6498 116376.5448 107721.713 9612.019402 9307.857374 9531.588849 12107.25831 10630.86019 8525.440082 3516.82453 3290.142554 4644.861244 4740.167599 2782.784731 2959.544374
Oxycanthine 996.8801409 1660.169923 1132.813426 1298.498327 1313.737826 2373.792855 699.3245487 760.9985784 722.309466 1196.923426 448.4771266 1165.894869 2360.108392 2174.724483 2068.428428 2427.352218 2317.371879 3538.21699 9094.920434 8771.949844 9442.58403 9351.028025 8806.127027 8975.438248
Hypericin 421.1782535 1582.466654 2051.443507 1735.501598 1168.791604 1882.244002 2120.492166 3020.911795 2029.657651 2410.627552 1626.813787 2276.239307 16219.92757 15337.96992 15214.18852 14612.86439 13821.88194 14378.85437 21644.89437 20055.03544 22368.13831 22564.02287 21476.41511 22685.75567
Sulfadiazine sodium 1677.061703 1811.171549 1347.167134 846.8837215 2064.478909 1059.912695 1319.770247 793.4985424 1053.850188 1482.200043 895.345518 647.1130822 24464.84922 14121.56809 23243.08624 14190.27306 12928.78982 17173.41183 28877.25325 33269.0579 33643.38841 33587.714 28842.83218 26297.33484
2-Cyano-3-(3-hydroxyphenyl)acrylic Acid 1555.588111 1642.91473 992.8760508 1418.078956 55.39259135 1128.310283 1694.913016 1232.397909 38.38907508 1400.753339 1189.718535 1507.248371 12912.47013 13105.55182 12669.17208 13447.82265 13756.19286 11184.76089 25676.27089 25919.13523 26256.99328 25208.45847 24798.06371 25038.01439
3,4-Bis(benzyloxy)benzaldehyde 502.8749136 612.014967 554.8689047 490.2992827 106.3340465 65.46071911 417.5807068 584.8361346 400.3570575 121.1815956 735.0664429 414.0752398 7378.588587 6795.712143 5725.995619 4420.296411 6647.242166 5336.718445 12414.50182 8953.933976 8731.176516 6322.325837 8233.034914 9948.856882
Cyclic di-AMP 39766.48903 2844.846505 35249.11021 38077.40062 31879.56312 37950.90502 5645.944393 7080.276798 2003.767396 4037.328636 2538.350263 1349.566116 9972.11485 6884.013874 12560.18901 611.7138909 2299.312232 3028.01382 4650.693714 1059.492048 4227.722281 1303.005762 5254.019481 6395.329861
5'-Methoxyhydnocarpin 13403.51497 13454.70949 13109.24877 14524.93318 12208.0422 14507.24652 6999.390859 6547.758022 6949.095547 5562.347351 8716.260001 4869.665499 777.5450608 12882.47992 10841.77891 13010.88336 13729.44197 12640.17405 8023.140723 5514.095683 1494.974574 6428.506908 7130.398215 7298.431381
Gln-Gln 1557.761532 2687.503838 2739.199858 2457.556123 2489.698729 2384.342834 2378.58792 2459.393537 2052.385193 2993.854552 2764.785829 3239.183704 622.7787729 1042.642948 10303.1233 490.3172759 518.7020433 1265.058861 12821.55725 17812.18445 11863.52562 15047.44094 13015.06061 16075.95742
FFA(14:0) 19537.5835 19389.7363 17584.27974 17482.7932 18873.46715 16916.56855 24237.1936 25229.34383 34895.27813 28064.43626 29612.47774 29198.38893 48212.53595 38336.53779 56507.1674 43796.86709 40260.76826 40346.50918 57132.66635 51206.46256 79095.98488 61054.23021 67339.68775 83826.39344
Taurocyamine 9749.658476 23332.21544 9989.347991 21422.93316 21258.50503 22558.42867 9772.359107 11677.86891 9685.765482 5249.542747 11540.27204 8195.565863 81301.96283 87176.46733 78731.33555 81371.85109 81436.05291 81049.5577 130658.6159 136578.8297 141383.1972 141353.975 138131.6304 142532.9764
1,3,7-Trimethyluric acid 16.77830919 163.5840152 260.8979864 248.3100663 191.6205174 220.1074188 78.62962196 13.93453738 7.393799855 27.44954472 31.28152389 43.43847333 826.7588531 395.1429208 486.1436621 489.629712 729.9968478 550.2000675 1682.12432 1684.849744 1602.764448 1712.488282 1714.222562 1564.101606
Flecainide 468.6447067 523.3096938 378.0104699 907.6703133 415.9375027 854.5339836 244.8114839 310.9771495 361.537542 313.8718175 63.71000427 604.0297965 10752.71507 6451.255624 11537.90858 7362.84971 7645.18335 7080.548388 11643.58846 3482.211115 2872.255272 3056.924688 10023.1339 6628.848607
Dodecamethylcyclohexasiloxane 6226.716081 4553.398946 7627.421702 4864.436227 7362.125091 3011.832063 23761.58778 18474.4947 20763.12774 16362.45222 2634.71695 23025.39445 21357.88282 21517.45799 4533.119499 22639.73152 7779.744818 24837.66737 931.2450706 31.56025066 151.3996766 3007.38 23.80548464 121.9354663
Ethyl sulfate 10436.91792 9316.343519 6192.894264 10618.16996 8649.196401 11294.17239 18985.67491 22890.7384 32474.02824 25170.40017 19787.74989 20028.1655 18401.49108 16843.28366 20618.47263 17833.81503 19684.20139 17363.90703 5641.20262 6498.050593 7109.712744 7843.450958 6360.891821 7201.558393
Pyridoxal phosphate 183.181128 54.51123205 95.73494477 518.6812429 67.44298883 153.1123933 62.4826232 121.2557919 239.4548482 255.0020296 162.8482249 472.0582099 13316.72871 11733.18976 13005.27124 12061.87519 11435.18214 12406.81919 16159.97044 15101.54566 14639.64223 16193.91663 14168.65134 16461.47378
5-Hydroxyindoleacetic acid 223327.9892 216203.2026 209999.8283 215732.9468 200766.9229 206242.7798 189668.9326 189213.4755 191911.0748 192312.2243 196197.9229 186430.6009 66820.09573 63378.12648 44677.97982 64864.868 63538.30943 62812.49349 33760.07807 30525.01753 33656.14149 33109.17388 31591.83614 33217.45323
N-butyl-1,1-dioxo-1,2-benzothiazol-3-amine 1774.789126 891.3677907 1771.56074 952.8242769 1971.163439 2024.039074 4284.437326 1221.481234 1617.992648 1685.599905 2118.854461 2849.128101 26000.91323 18939.83616 15913.47466 18524.02932 32160.99371 22187.77995 72173.61201 75686.04478 125703.0962 76273.97575 83651.37087 91033.58292
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone 4441932.985 4469439.629 4269529.714 4548010.931 4085263.365 4180217.83 5788735.916 3828384.91 5202756.222 3783752.658 3996603.285 3832079.695 508.6274278 239090.463 548.9878054 2447.511904 9827.509597 1273.115165 63.23648394 255.1480607 182367.7777 201758.1278 161.9880013 174713.2573
Nummularine A 225.1606297 141.3424193 350.8181082 252.0315407 260.819143 195.5428937 157.6653959 363.0160999 184.4081654 328.5563767 269.1860669 313.1439965 104.6180598 273.3880782 268.2887223 528.9562466 617.6136697 150.7487726 5985.811354 5163.716426 5946.132179 5806.701447 5368.93362 5913.926204
2',5'-Dichloro-2-hydroxybiphenyl 24518.22749 24269.50062 25336.32493 25581.80819 24868.73845 23466.50062 21451.43866 20437.86563 21685.05905 20671.85015 21049.13588 21078.66154 21593.19844 21666.61118 22528.64756 20399.45872 20697.50834 19981.11703 23255.36814 24363.27999 22420.76266 21973.4887 24131.18108 23732.12981
2',5'-Dichlorobiphenyl-3-ol 7368.640837 7611.541159 7660.728302 7481.863558 6961.400473 7872.499237 7394.897839 7781.29803 7411.151983 8391.566147 7829.298398 7531.761537 10802.49824 10563.06344 10854.36163 10723.83346 11111.29104 10623.54342 11816.36535 11804.66552 12453.62395 12382.84876 11917.55379 12788.03661
2,4,6-Triethyl-1,3,5-oxadithiane 244397.8993 248173.9462 17301.66311 243908.968 245220.469 243021.1878 705601.1061 698052.0328 709102.1417 721614.0041 714865.5252 731841.9485 58148.99541 98.84379338 186.3987444 59443.6229 65499.1583 294.3408344 1074.853467 357.7036833 144.1180959 5675.587264 320.2631219 217.0416345
LysoPE 16:0 40966.91918 41237.84216 40931.02035 40851.56006 39695.1807 40448.91842 44707.80835 43472.48989 44032.60724 43556.00897 47764.95159 44013.23616 195484.2239 214751.7901 186621.3061 210865.5312 205878.5784 190466.9998 152429.0347 157198.0878 159701.6443 163214.1579 164442.1609 169261.4932
Isorutarin 980779.4809 970902.645 952475.8353 994056.0206 914059.6734 933436.9028 676351.732 680857.3587 644666.5887 648956.6622 686185.4601 668774.492 4029.032003 1780.84283 3149.468484 165.5319912 7108.922831 1663.529785 7779.393921 8371.772701 7872.511793 9595.560642 13775.56108 7466.646346
Zuclopenthixol 625508.972 912931.414 720138.8568 554981.7063 532482.0338 1004988.145 727263.697 692349.3179 708099.5091 498521.7295 820412.1824 752355.5987 12368.32097 6035.245115 5467.668344 4676.79162 44793.8733 4138.380759 3163.183828 15385.23295 2077.812124 2121.214441 1989.33158 1261.181022
Caffeoylmalic Acid 1966.565924 1100.303478 2214.335816 2362.117508 806.7664918 1196.567224 3191.977449 2761.497401 2754.963955 7373.930239 6935.707393 2780.60677 131777.6577 120024.1999 117329.3222 118168.9403 124307.2962 107463.5866 195102.7726 204504.7722 203043.8058 221809.4346 206800.2101 242901.2695
Bruceantinol 7079.354032 6099.252969 6810.443059 6296.819513 6161.738134 5275.847429 4556.922081 4749.628784 3991.54629 4046.834633 4150.549603 2933.44639 4887.16409 5490.079429 5137.2628 5206.413276 5490.924787 6121.734154 6007.742396 7889.356389 5993.808463 5014.852265 5146.447934 6282.653221
Carprofen 37490.29066 34337.70552 36913.0475 34833.02847 33785.77215 34499.23839 28534.42806 22160.45832 25074.78492 24112.18731 17457.3818 25206.66679 214.9883466 330.1206118 89.45451747 475.2307223 63.89594227 314.5397744 7150.087553 7205.495834 6804.073262 6491.644691 6749.439514 6885.637811
Ferulic acid 8206.320339 7920.92619 10793.62595 10290.6047 9796.434385 9581.018126 8478.352797 7514.504267 5084.433376 8415.556517 9136.784308 6095.135922 187074.3503 191451.2943 188771.3578 200292.7033 193029.5024 192865.8933 166397.2997 160707.7071 161158.8843 155386.8342 161259.1128 168533.8941
Pterostilbene 11825.18446 12063.27321 13315.99662 13024.47327 11319.73415 12091.70284 7927.007543 8043.092169 8060.649951 7254.096181 8195.215643 6745.72949 2391.762515 76.42595472 119.5015258 169.4111706 2111.117643 20.14855105 2345.027528 1322.96178 1475.474925 122.628104 84.18420288 1757.038349
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide 271.9438416 623.2196521 231.6437308 237.6809401 434.4308238 131.0455657 924.7244494 736.7187446 196.7817339 333.2563809 700.0862957 33.63859339 4983.689573 5520.929453 5070.289268 5812.254787 6438.314478 6632.64112 486.3812515 509.2834853 498.4419879 417.6659184 347.8370377 403.1742686
Digallic acid 4339.404212 2846.185114 4333.262529 7251.341706 4284.61219 2785.291554 11868.55314 11621.98777 9620.467859 10652.44427 11117.1826 11870.16494 4785.93102 4436.713566 3954.037297 4754.622 4071.841771 4574.00081 7309.260973 8528.110117 8069.590118 7060.005695 8223.064264 6945.895963
Iodoresiniferatoxin 37643.54431 7692.449071 261214.9009 173918.3781 71312.54883 83533.24219 34291.76924 53166.09507 5826.88826 21291.2125 13632.47183 12032.50238 116654.1905 131018.5417 117256.3428 149474.5971 139655.3012 147627.4516 75551.56211 57751.62434 52993.25857 53439.47798 50310.71349 60734.64737
Sennidin C 1348034.169 1406992.105 1436602.721 1412200.867 1363903.447 1367059.934 2408766.448 2373320.577 2328073.73 2334916.828 2419660.327 2338327.122 9730.911195 16673.72004 26248.37417 13984.11939 18025.10816 10989.78151 4556.951387 4565.067768 10348.582 5584.458101 3226.396132 8298.68797
Trichotomine 497.4330402 703.4150813 202.401829 855.9436017 849.1939154 1085.830561 951.2882604 787.4152562 1149.525882 496.0008571 562.7153513 576.7805776 19.93964659 34.05122998 141.7609174 202.9091302 61.72480885 116.6840892 113.1106698 127.0120837 162.3042765 108.1460857 24.70462137 93.82779961
Lotaustralin 12905.86174 13152.53055 12391.33822 13369.3396 11150.8745 13176.58874 10107.61516 10784.47943 9901.530943 10904.06793 10731.40066 10611.95156 3093.487951 2751.726648 3297.13751 3156.67806 3529.907479 3150.750539 3193.467324 2927.143325 3241.751233 3349.323857 2901.39107 3127.317353
N,N,N-Trimethyl-Histidine 176.1660667 2244.014152 128.2058961 75.95846538 2519.877827 76.0108022 22.41945329 1491.354625 1785.483278 1999.810349 70.96855952 37.2941576 39104.48525 47190.51678 38430.28649 49167.95961 42880.57721 45015.73142 63998.38798 57373.13132 60851.51726 61919.92197 61571.81279 61938.68211
3,3-Bis(4-(dimethylamino)phenyl)phthalide 436.8145186 134.3085126 332.7338587 227.1174406 141.4294438 240.5321031 467.0941458 49.15649934 234.6758135 127.9610308 182.775855 122.8964184 1770.390282 2774.132225 2461.790743 2167.200839 2657.880759 1032.870935 1157.255259 1278.395852 2001.808725 1406.422174 821.2501625 1580.235939
Isovitexin 2''-O-arabinoside 60610.10927 38247.90831 53962.70874 62010.94391 51917.32122 65857.57419 83789.42581 156113.074 146175.9718 160507.0346 187657.9058 153951.687 40792.89218 53542.69127 37532.69169 55168.16213 48553.9997 56915.18428 1364.728365 812.4016823 4996.383436 6467.81457 1063.705557 826.2721174
Ribonolactone 27786.78284 25462.28656 26301.27333 25351.97181 25893.88031 26259.92655 26437.52047 25997.27505 28288.18788 27185.03836 28060.62224 26236.14208 17965.68627 18358.17319 18312.89799 18069.29166 16661.04695 17058.76355 15162.53782 16284.26815 15481.13919 15970.72613 16700.78251 15029.76066
7-[Phenyl(phenylamino)methyl]quinolin-8-ol 2911.454464 5984.821803 3598.002175 4564.802585 913.9914612 2369.953639 4332.856651 1509.687756 1758.542704 2831.772651 9597.20131 2547.058472 7637.330699 7340.764369 7283.058027 7655.635216 8054.415105 7868.215492 21491.59012 19377.04077 21063.89063 20506.86973 20328.12148 21561.71029
Tribenzoyl d-1,6-galactosan 5948.933849 4794.879635 4050.622399 4514.68371 3941.212549 4744.705343 5751.828334 5755.453915 5948.697669 5679.869482 5343.382247 4164.09645 16885.0042 11667.68783 14786.69465 16270.13924 15987.03547 14216.62021 14279.85421 14940.22349 13385.43002 12011.9807 11933.05932 12950.85216
Acemetacin 20021.70793 20114.60087 19552.19644 18667.92503 18557.77474 18863.65213 11515.68671 13002.47049 12425.22193 13434.59956 14328.29482 13453.78856 774.2803539 1162.013339 837.0899435 572.1489551 26.70946186 1700.491911 1760.967228 2256.163055 2721.321924 1800.229904 815.8475413 2813.46388
Austidiol 198.31319 555.3776316 1110.759384 1252.198983 1323.908721 1867.697913 943.2884217 933.3951314 1408.612507 1236.329039 699.9480568 290.6996912 348982.5824 356944.1342 349663.4099 358200.8792 342759.9919 343264.8679 376456.1674 353768.9377 388426.2242 366526.8908 379829.2084 385310.1823
Caffeoyl-coa 223.967247 120.9854614 311.3054634 339.4939543 144.1157046 73.78117112 35.2280423 94.07507428 271.6618328 109.7370874 293.6792779 346.4437948 822.2218927 932.8563846 753.9348806 1017.912996 750.7316698 912.1191721 323.3125515 199.3804811 138.1095166 41.70004484 266.7696884 389.8665489
Flufenamic acid 122.8411308 81.03902816 102.0447076 89.24402509 73.28159102 71.66989158 647.0574983 732.0118975 646.4888847 517.0547484 643.8458259 643.7537008 97.22085825 85.01124654 90.27130286 2.148296101 114.6370182 105.7433737 73.91349997 53.24826413 21.56513476 5.012687849 29.09742859 58.92603955
Syringic acid 6198.678434 3742.793763 4949.914352 3575.700073 5869.207699 5332.597753 1907.913158 1531.376 1952.395548 2721.716745 1891.812457 1652.323244 75850.46976 74596.05097 71985.88655 76607.51113 73343.44774 72312.79499 23075.22288 19156.29874 20264.65193 20393.97906 21070.3385 24166.76077
D-Mannose 24034.82219 27580.34629 27714.58228 29363.32263 26313.87195 27823.13188 26732.3908 27159.49385 26830.18573 27630.82597 27646.10024 27444.88164 24771.42562 19758.1511 21690.4724 19919.30467 20695.31012 21200.7988 21291.38059 22973.91985 22592.7937 23697.94612 21971.35551 23398.5747
Picein 7047.104838 3649.022867 3596.262787 8979.012775 3444.671296 9389.216325 24785.10687 54784.18366 27894.37072 59757.54234 34621.01668 44613.08569 19033.72968 24644.79436 20446.00948 15900.47445 29506.56442 28730.53221 15.05713519 2125.67579 3090.266968 53.68217558 2056.045371 25.12738367
Indomethacin 183882.8076 201351.2679 204369.602 193622.1085 176720.9017 170775.6093 205177.626 212541.6527 183930.9456 211282.9668 197961.9316 198669.1534 24733.95421 9576.888643 13867.46375 14957.81068 5190.08466 11728.92048 17246.4653 8087.402957 12869.89907 10503.0583 18229.71625 12837.29489
Nicotinamide-Adenine-Dinucleotide 113861.3146 80634.57813 86448.82247 81769.42592 148493.4522 134297.9494 113207.4816 104303.13 76652.69909 110417.2195 70688.29445 73034.79917 77815.75547 42268.18436 65151.89119 39676.6787 44263.72233 36624.7635 13665.51966 13922.68832 11863.02348 16574.44998 17861.70315 21527.92999
NAD+ 9239.090728 8840.221282 9254.247219 8470.399588 7950.231822 9462.834785 16512.00491 13996.23777 16053.58316 14763.25052 15230.64879 15492.07439 32.62736426 62.39694756 548.0854655 526.5430288 500.835182 708.3849066 104.9189396 117.3656144 19.19246988 47.00037379 13.50582422 112.2116982
Promazine hydrochloride 12.9113868 40.63103199 61.82014826 33.39273227 38.1991249 47.39625164 49.43459938 191.6667224 39.96751561 37.63736975 9.219241529 56.16866943 11.5406032 0.79590657 5.792409746 9.387251295 6.367244541 1.591813103 7.189652951 6.694429295 0.69862842 2.140096759 4.169030753 6.437996341
Methylprednisolone acetate 690.1638667 157.0340561 960.1103727 282.6428936 721.4862193 883.4921102 556.8766122 559.01572 281.3228257 222.9902639 817.3478468 337.5887733 6134.80817 5856.998918 6066.571874 5612.397456 5894.034228 5980.336953 48493.07098 41441.40685 46182.06746 43934.68278 43932.16534 45042.26379
Dihydrodigoxin 1496.009171 1037.259067 845.0196786 1254.260654 863.6448537 1123.598623 229.787412 172.0642551 221.3395222 275.5399507 242.7047721 382.0260087 10435.706 11210.84744 10213.5407 12143.21024 11256.58303 11286.78096 6305.454298 6026.317481 7925.17476 6273.808282 6027.634375 6027.395591
Pyridoxamine phosphate 173551.808 173255.7469 171788.0836 175139.25 161569.2879 154183.0149 210310.9438 220921.6956 213374.6468 198295.477 218382.0878 197923.1237 4417.314617 7749.163726 3768.506749 5549.528039 3967.354983 4861.480026 1414.742553 525.6625817 1269.405864 2230.51765 1130.518336 1634.36383
Euxanthone 146849.4338 158658.807 156267.2502 161032.2329 147567.4073 150738.7384 174846.6795 179387.2422 179431.658 176882.2011 206595.6673 187459.3498 339.0318506 8196.534323 159.3619112 6481.061432 764.209164 1669.83167 3635.761806 238.9182723 137.605162 128.1305068 3234.696167 62.77040208
Genistin 1278.52388 1795.830211 835.00637 1388.73162 1570.763963 1996.07975 2599.332509 3173.508437 2108.462469 1963.433025 1569.206131 2489.101457 25255.42714 13385.4806 17088.15977 26190.95697 27028.41256 26035.09475 66261.72964 74144.25904 66549.04654 85005.53923 64838.94368 72069.66737
Naringenin-7-O-glucoside 37457.75146 10567.71117 32073.46231 39621.62833 39448.58596 19129.82789 18809.9305 8150.364306 16364.43768 13328.25805 20559.66822 23306.59466 180521.2553 170238.3266 187635.5828 179198.4171 160420.8743 168587.1712 176819.9579 184346.5058 190090.0603 180752.0408 185151.8481 182475.4048
Sakuranin 177.061901 171.6855146 80.64916561 153.763634 133.9766553 158.3718478 120.99139 110.6697263 32.25949888 68.90800575 139.1331688 47.25538334 114.4410933 132.2841688 88.61608731 79.07768766 2.715727151 72.0376176 105.1349393 62.4462693 65.45811792 93.62989699 48.24620256 100.0363395
(2,5-Dihydroxy-4-methoxyphenyl)-phenylmethanone 29237.50047 40073.28514 15418.12107 26161.05008 19260.43255 4152.274416 102569.9056 99718.36476 98302.14932 98864.61318 106972.9582 112027.9279 423971.2738 390299.5081 631682.6331 383404.7016 390361.1662 377437.2451 357027.3319 348098.9813 353909.0909 347292.2479 341055.9285 381770.0243
Fisetin 67619.88225 62272.25542 67721.36552 64432.7803 63111.91551 61569.00528 36491.01789 54841.76554 58170.3095 54569.70762 46652.60469 44697.57595 35151.2416 34309.85312 33242.79714 26480.44501 33283.10266 32310.46961 10534.25733 10818.35985 11661.75331 13413.91864 7824.144892 12335.16931
Magnolol 2391.481342 2098.534164 2591.196575 2715.318504 2393.360332 2491.620586 1938.991022 3004.380779 2600.973751 2332.878186 2155.16015 2146.794104 17612.85823 17349.76024 18083.10701 17227.10024 16786.63874 17308.18784 27775.40608 29604.35451 25455.2468 26780.13567 27030.05828 27280.28516
2-Fluorophenethylamine 382.7026353 776.9541628 303.8561935 325.437495 341.2657491 353.1050322 100.891076 433.3311678 601.9193588 499.0477874 176.7305251 287.6445391 2066.874824 723.5616075 1200.628163 713.8262126 792.2250194 756.9346385 3737.181948 3661.183622 3965.150095 3700.347723 3886.793161 3670.902034
Copper gluconate 12576.04262 10133.04854 12633.98681 10693.54328 8715.38933 12352.60432 10115.0031 11937.7111 7293.10465 10873.46697 10333.73924 9791.412552 14514.72143 12256.56199 11740.67539 6861.094428 8494.963696 7267.18287 9286.014718 10116.37828 8795.663296 11424.209 8978.582015 9116.404018
Deoxyrubroskyrin 217632.7614 234996.7748 195946.0596 212182.2827 205722.9292 191623.4183 152416.3634 150792.0688 185445.6916 168981.3881 158871.7739 177018.1718 3447.221271 7517.27064 6059.451671 5845.989682 8861.884847 3487.706766 911.7063162 999.0135739 1731.895874 3006.289904 528.3645511 2439.025085
Galactaric acid 1806.009914 4450.447856 4523.19221 5001.710854 3962.359096 3401.547263 5582.756792 4575.988126 6258.266228 6056.696884 7464.223934 3512.598476 37752.91103 36537.26311 40274.5264 39405.5612 45484.91924 39243.82223 26958.80682 28292.44169 28302.56436 30721.63661 28799.11511 29186.88801
2-Keto-L-gulonic acid 2099998.731 2154426.552 2162868.279 2228886.344 2073548.385 2065981.44 1380144.135 1369765.557 1304819.719 1343080.844 1390637.432 1238204.418 7599618.836 7499317.167 7425121.735 7296129.635 7537029.885 7383323.648 4631610.362 4435188.849 4548417.697 4616259.755 4653676.883 4844578.599
Tryptophol 20851.47249 20599.91124 19196.51812 20479.73121 19854.60762 19750.21574 32055.69265 31512.14196 32153.67009 32821.63304 34025.14959 31791.83141 10510.06107 10710.31624 10885.2614 11379.66084 10347.32538 10222.19749 3201.717894 2638.151254 2482.015029 3171.759447 3124.002246 2483.3897
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate 26078.28308 6576.966529 26446.45374 28556.0324 25415.26435 27160.49452 5148.485958 2879.40498 7192.548848 9186.620547 1911.936416 1581.89954 564.2113327 2996.860877 1269.203658 2949.379626 2041.189648 1929.017605 14194.97782 15009.34582 12718.64033 14227.43251 14763.92328 15535.88333
Peonidin 3-arabinoside 2700.100765 2526.836871 95.85581066 3084.796156 838.0788285 1446.151375 618.9171405 310.076212 635.3984171 778.01082 839.6515319 182.8635268 17.15481389 103.2387918 267.8167037 35.03290546 186.7717967 95.43639314 223.9881288 7.130619064 156.0757253 23.91634231 133.5696742 148.0529509
N-γ-Acetyl-N-2-Formyl-5-Methoxykynurenamine 16584.6881 6440.610946 14562.90607 11515.85748 13510.15248 11134.23895 12442.81956 17526.49298 19169.91635 20119.15849 19906.55126 15749.91597 9251.047539 9695.487954 7955.973054 10719.19102 12416.18915 11907.77179 8896.4055 10364.79127 9414.252924 9324.820015 9438.369139 8932.262485
1-(4-Hydroxyphenyl)-5-mercaptotetrazole 239.3115219 329.2425033 34.62129325 164.6663713 267.1775488 29.38619876 106.94551 120.3078819 92.34931386 117.4368327 171.1836759 69.4670162 358.8794833 182.8194451 40.78601281 191.6844262 30.8216535 138.5712396 2796.554973 3646.518148 3228.897233 3384.610001 3558.23418 3434.427564
N-Hydroxyphthalimide 131.614441 659.9101521 646.5997545 532.1574112 487.2921881 664.0451398 1065.445986 451.0404272 834.0208986 961.225447 85.62478709 1792.883699 2251.208613 1570.697634 2736.573743 3447.068955 2693.966388 2343.007514 2281.849179 2183.204535 2439.686182 1239.823752 2672.672491 2674.201031
Wedelolactone 459321.053 446524.0152 438461.5294 432825.751 440080.5653 433864.1153 115571.078 107307.8191 109223.4728 107254.6357 108756.4055 179838.4595 175742.7704 184530.2802 160207.7154 180734.7908 204985.5424 180830.8075 88792.74718 90682.70973 86485.52567 87810.0599 88319.76995 90587.28934
N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine 347.0105496 1404.942641 341.6512659 784.0977149 218.4923195 279.9150693 972.7008307 575.6012624 3087.016285 1151.107052 626.4778702 1460.902233 43032.8945 44680.28973 41571.27802 45972.48375 48805.77829 44782.45491 74665.04459 62900.90384 70435.63956 68920.1764 70839.39665 73810.78887
Estramustine phosphate sodium 869.7903945 1588.268446 1852.840135 1875.401451 1810.445892 1677.633015 4636.80317 4270.503871 4357.225453 3988.199769 4385.57902 4820.648507 314.6353854 961.7630349 597.0159545 16.86621991 547.0693445 324.1651416 269.5538393 350.7952628 399.602979 335.9311664 631.4917912 283.6532059
Fosfestrol 1892.132182 1638.705691 829.479902 2990.706262 698.382237 2049.293182 3282.81522 4803.969653 4034.957646 4415.304939 4542.070992 3616.428455 13392.11905 12388.22502 13305.10448 14935.44748 14155.85087 13924.15999 7717.00064 7735.66148 8053.419814 9234.529114 10475.76979 8912.228028
Quercitrin 5132549.478 4826904.135 4730203.213 4826824.3 4609170.918 4701013.4 3283643.748 3283761.152 3343687.808 3105661.127 3236364.948 3125875.213 30592409.56 30152380.69 31078636.2 29685588.19 30211898.42 30797365.81 34523341.69 36188500.48 34249256.1 35201284.19 35191754.25 36769950.59
SIS3 free base 4738.05669 4955.642032 6737.883055 7017.13625 6055.524914 6240.67269 7419.821519 8477.317533 7825.305854 8419.334195 9126.617533 9407.17804 2801.652443 3863.845294 2936.944794 3378.225207 1901.59337 1690.426804 2261.8448 1652.761794 1394.092752 319.4193805 535.9893901 4969.744478
Ala-Arg-Gly 291.1917212 184.1423804 245.4703163 331.4978706 563.2889712 348.6068219 507.3754811 468.9618643 823.5666988 766.0200987 24.30406142 506.2973897 4028.922662 4316.593993 4330.62899 4214.049172 4053.928003 4473.823879 8593.014004 8960.027939 9509.202353 9111.851297 8207.081788 9521.359857
Cefsulodin sodium 679.2711884 903.6316262 792.2612582 663.4005285 319.3929667 813.3571776 761.9417482 1349.698317 938.1258884 685.6334873 1619.99297 847.5544573 2192.85004 1273.452955 1148.141709 1824.449926 2679.490398 2197.837878 861.9843467 552.4976792 639.4454861 1596.097798 999.5168593 892.3250696
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol 684.246791 607.9928134 118.4913267 468.727628 89.03780803 491.1978535 3034.339612 2217.20754 1943.21962 2384.801228 2914.586445 2346.755451 12633.81465 10411.5304 9958.986429 12192.85813 10063.59164 12130.06488 3205.867776 3515.519704 4117.873753 4103.607947 5045.49403 4643.342407
Xanthommatin 20.46003097 13.85307306 31.40327574 58.7688073 44.52913803 31.80881567 36.64473336 17.90245116 90.77881804 13.21370976 23.76325472 23.79990869 123.9847686 82.34581268 67.74681777 123.3986137 72.43534112 76.53817878 7.34459493 52.16176054 49.40561998 47.87300687 50.96333071 89.67159372
Vulpinic acid 85882.16958 73736.77075 69110.99924 88224.34735 84214.74682 84700.47218 49988.96667 53689.97876 48652.5493 48042.51223 25161.68836 12426.1207 346494.6791 338667.7136 427919.2091 478200.6638 480888.6415 356884.9056 147050.5829 135815.5073 91476.29594 89651.9605 84478.47723 90350.63864
Sciadopitysin 11158.28183 10426.73552 12231.03215 10115.07869 10699.00693 11187.3545 7320.470826 8588.777542 7882.886391 8083.601387 9103.728791 6914.650741 3195.564929 3983.51706 2897.357348 4052.882207 3723.956458 3751.743651 747.0661052 1736.001229 2518.443564 1539.195449 2018.33301 751.1045357
Apigenin 63343.47898 11316.40213 40835.32806 229129.1313 27458.08598 9089.024521 13627.35971 31309.65239 41601.96581 340344.3247 56803.75225 28966.28285 1522382.911 618783.8885 711500.9155 683268.1342 699543.1364 530623.9831 664841.9154 199773.6214 1139647.749 2061256.14 1154103.833 1015508.193
Diosmetin 73379.27268 74364.75628 74282.03675 74218.06131 71172.55858 70774.48816 59526.3274 64240.76998 62450.58831 59592.56679 60772.59006 59768.30908 152533.2969 157741.2224 147577.2221 156947.4135 156139.5814 147929.0659 40867.10499 40068.07296 42656.07939 43106.75133 42377.6996 44282.18479
Hesperetin 14500.83688 17491.57668 19075.91554 16724.1279 16746.19808 16018.88797 12776.60584 12196.12596 12520.8784 10334.37735 12716.75799 10578.8115 31147.49956 32799.26057 29292.01251 28447.15572 40071.96603 38432.94129 23181.79998 21192.6483 21018.38007 21660.62289 24021.76547 24970.82564
Tricin 16987.56116 17943.76258 20137.73626 20984.96777 18096.10608 19130.46314 18551.35787 15279.79094 17874.29354 15394.9783 15733.0697 12750.07595 352.6629018 122.8954339 22.64170354 89.59797517 468.9842306 168.055832 502.3514367 177.7424736 149.409133 82.93823503 559.2588381 143.2181135
Tricetin 39619.13603 38926.02634 38526.53616 36946.76013 40524.99883 37855.28638 30957.57613 29304.76688 28718.61398 25771.92293 24753.92008 28231.27401 7106.090479 5968.588987 7381.553656 7661.369959 7537.893104 8525.491205 5992.274023 6177.427735 4458.880997 4899.645316 6197.384257 5532.96779
Norartocarpetin 289520.1765 317131.1539 320664.2341 305203.7769 293311.0775 276567.6554 649857.2817 648330.5071 650958.734 656724.9618 696644.9603 649110.458 904724.6049 924235.572 846963.8208 954860.8249 902548.9003 892499.8529 728043.3051 193122.3871 208459.3429 212459.3256 553513.4999 215327.3083
Methylatropine nitrate 1259.008583 1213.394334 1250.300071 1789.466642 969.8172822 1667.997557 3156.169297 3178.142371 3136.574122 3203.243987 3512.57876 3130.567723 71.33868518 157.8562515 199.3700666 131.8458642 107.7569063 127.7456297 145.0427759 176.5633752 164.2619812 97.63501103 134.0245503 125.4393005
Verapamil 1042.77451 544.5418997 658.0761868 722.9187929 639.5844255 1798.001974 730.6758479 747.9356229 1185.358528 871.5209719 18.45842051 683.137266 13612.96773 13717.96831 14131.64263 14630.67589 14164.81796 13469.10217 7619.016555 8228.073539 8894.262235 8151.538284 8048.916006 8928.51823
Atromentin 179.8947239 117.6352145 206.0148525 377.3466257 438.5044368 385.8233919 526.2386873 504.7277356 444.9338233 209.4712243 352.1056213 308.7015515 6326.97214 5956.015101 4780.614181 4942.051443 3662.641209 3992.172707 2411.262425 1896.321279 2685.304573 2128.038588 1878.580764 2539.939264
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate 3434.864771 2119.73231 1716.159323 1620.44022 2601.482397 3075.638506 9606.471358 11189.80621 10781.12739 10609.9799 11600.89372 13148.79887 13905.0928 13053.44727 11438.14823 11124.50838 12624.25864 13588.39926 71884.44206 69503.08467 83533.17461 73616.99969 74178.08015 71109.45416
4-Hydroxybenzo[h]quinoline-3-carboxylic acid 50318.19546 45802.44959 51056.04327 41077.6571 40871.52482 39900.12749 1283719.282 838737.9882 1091280.025 694594.5644 1372658.762 1375491.537 358950.2156 455845.1391 490291.8766 486850.3947 609415.3143 594121.7023 27929.1247 21325.54396 25062.55888 19760.14899 23333.88477 29577.00418
Shikonin 151505.0087 161947.2064 155152.6806 159925.5751 149640.6303 151026.4404 129442.7697 127909.6109 126926.2571 130793.4225 126845.5095 123854.5827 1304.754921 120.5828917 15.35953089 41.26420287 69.00271646 2643.779352 1783.112794 1388.428504 2211.269693 2441.606394 1950.205577 2014.344827
Sennidin B 639525.5509 637890.2534 569579.0689 641873.9452 565957.289 573059.8374 697060.9817 681855.4797 683391.0159 666312.9121 732117.0345 714600.9216 6438.33211 11037.08547 6638.370918 6746.844331 2916.091753 10228.4475 14292.22527 1929.368045 2701.627658 488.1331496 904.0395267 644.3411883
Sennosides 861102.2084 868027.8661 807730.629 772552.8096 774965.7602 777356.211 661940.6093 635156.0989 694492.5207 636474.4465 580926.4141 580346.8255 275454.5375 271344.6601 252569.0267 261277.8534 246621.9331 250449.052 86608.1052 85759.48313 84376.41369 89614.10257 87537.14546 87452.17374
Methylmalonic acid 572302.8894 74440.22489 565846.6733 543759.7868 516435.5471 587454.0392 567309.7973 294826.7874 466183.2134 425665.4579 505159.1067 519468.9535 1190242.104 1000205.549 1053578.095 1000469.124 891551.9423 955706.64 230052.4983 236632.3662 293293.6915 298715.1498 242181.828 222093.9095
2-Hydroxy-2-phenylpropanoic acid 69501.87177 70231.34073 72411.59882 72437.65446 69215.69329 72701.80687 116886.1107 33975.76485 36505.28817 34357.84476 36233.45152 34567.39335 117144.0045 237550.4315 108767.2209 243025.5961 238353.2136 242248.8029 15673.27651 14646.6735 20481.76628 13146.66095 15735.53991 15414.20231
Homomoschatoline 2273.58788 2058.922849 289.9426077 1344.589203 1279.146722 1577.406893 1858.339575 1419.524239 379.4211104 1529.766726 2025.057613 1834.119847 22228.60861 13301.36901 15947.76426 15609.4292 20476.29186 27738.57012 28309.44278 39657.04077 37246.4145 31705.66013 39671.00299 31266.11406
2-(Ethylsulfonyl)ethanol 629.7030022 2320.399916 1100.99291 451.2081718 921.2788275 169.1768713 6988.297716 9578.314848 9918.972532 11321.5166 10109.53879 9480.304315 7757.343222 5023.56474 7689.114935 8615.979144 7808.953797 12267.95968 48360.0793 58561.16105 44250.49399 43909.19941 57525.91762 66713.85077
Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate 4853.952181 4836.994846 3849.737928 6099.354956 3926.49461 5604.468786 11749.46958 14699.9895 9311.889127 13067.70485 13247.27185 11244.21443 40951.99125 27320.84509 33403.17804 33631.92863 28125.87158 28995.79375 4161.930279 4119.9026 3475.733954 3738.28023 3335.526871 4268.796777
3',4,4'-Trihydroxypulvinone 4688.37304 7781.296521 5743.192838 6312.428778 6880.945704 5071.377536 582.9999265 844.6834496 408.1011108 700.6637918 424.4188974 314.2575597 4040.032333 4661.370643 3650.122381 3974.471371 3443.921576 4287.091909 2833.090492 4383.114989 3517.419387 3215.664397 2963.805554 2339.981632
Apigenin 7,4'-dimethyl ether 189948.1491 123315.5965 162422.2394 148066.8286 150324.5314 145527.9408 3831286.594 2820878.767 2551987.134 3453069.81 4116067.719 3962644.377 1146237.869 1077887.245 1095079.673 1064874.483 1262109.041 1049203.57 33669.28028 32947.94056 43085.50865 41047.07421 31657.48155 37194.5855
Gallocatechin gallate 62125.7554 64500.6196 60846.3728 57095.20177 60023.7753 56753.9051 163883.1157 164298.2941 173954.6451 166197.0866 154887.3846 161063.9834 16800.79753 17377.97905 11739.66835 11030.62082 15935.23739 10330.73018 4630.409428 8138.502571 5973.84389 10378.1648 5613.511883 4228.228737
Amsacrine 1120202.148 5916849.618 5663446.81 1189779.096 868092.676 5247261.062 3355150.691 3407746.609 4397060.808 3474445.813 3638973.36 1354782.953 1365556.359 1397272.899 1294394.639 1410847.257 1382248.714 1300926.27 699626.2659 589542.2901 637340.5849 1633926.414 609676.4072 677774.8222
Pridinol 990.7282065 1264.448357 339.1861509 1103.072382 314.5081213 514.0022661 319.0309535 232.3776183 253.0332822 479.3422172 333.011351 129.9798388 7072.538809 5492.387091 5854.503031 4431.274158 10085.99598 10620.32154 12800.56462 15584.59411 14450.8057 15030.84168 13227.69515 14013.70738
Ergocristine 168.1016109 262.4325573 29.33078856 121.3151381 156.7081462 121.9403669 119.6370928 90.83972612 138.1962072 113.9387504 316.6725858 45.34705628 290.2605662 259.7585589 26.91520412 289.7855941 311.338044 291.2422431 2267.530036 2123.414673 1977.84507 2635.902114 2283.3186 2349.03924
Hydrindantin 2936.121637 3074.630256 2770.38296 2564.770388 2932.406921 3440.249931 2094.758403 1925.282563 2529.477746 2404.218471 1675.693603 2100.325561 2614.50773 1556.741115 2371.138384 1910.116977 1755.278075 1967.682905 4159.250871 3876.551163 3972.490789 4095.49937 2577.823643 3991.443556
Amcinonide 31.33699916 218.2821028 13.59013122 9.156921472 162.8476397 25.90097804 201.2746114 240.7957285 164.5910838 223.6761312 252.0553542 176.1900123 1099.445866 1038.094254 1289.703736 937.1528754 714.1932701 1495.623109 490.0403839 247.9774022 536.8054074 346.226977 720.4805023 334.315635
Norethindrone acetate 15428.87885 6531.958691 6675.700343 10344.79888 11062.16608 13113.31526 11012.30113 9885.850875 8336.330116 8567.203996 6228.871499 9060.275164 10625.04315 10334.55824 11742.98911 9681.502117 8509.041826 8866.394188 9695.783293 7576.125414 9868.41586 12051.70017 8081.525732 8783.90971
Homatropine hydrobromide 1239.076023 1271.332915 881.0405728 1372.401793 854.0583002 930.5807576 225.515203 339.0038166 1210.38648 243.7770034 209.0263877 464.1556934 1771.892714 6074.363686 3292.240309 3879.092848 5168.841013 6082.791772 8298.222264 2974.879488 2677.825262 9411.389878 7081.363523 7777.832125
CID 12000883 53018.34403 57821.76759 33521.94722 40407.80951 57600.44084 48179.63624 63976.90735 58317.27894 56177.00959 64755.44575 54451.84595 61850.8088 1958.028286 1798.815088 2918.514108 1182.259989 2875.644277 1482.09284 1225.118789 1345.86324 1594.234368 1187.580562 601.3769293 1922.477497
1-Heptadecanoyl-sn-glycero-3-phosphocholine 122292.1191 119754.7205 119871.3553 119674.2281 114438.8539 111474.2141 136842.1309 138058.3563 148568.5893 146910.8749 146292.9039 149994.5109 127303.7024 129273.545 136986.9124 135056.8348 123955.4133 116845.5784 141801.7407 148744.4483 142073.6276 147283.9405 144975.1661 136700.1735
1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)- 498.7467535 515.0800236 762.9550694 611.0999697 485.5623772 559.0162724 78.97879793 506.0525438 846.633401 917.5814769 507.2634019 1089.077632 85467.28313 67510.81271 81778.27644 80856.93854 72855.60529 81164.44492 214876.3631 202061.7058 207320.7488 204029.465 190742.844 224811.1668
2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 109439.0716 122638.5891 107018.1363 103248.0114 90660.69719 101941.3848 85249.22196 81307.22362 80718.99188 80492.55518 68407.74924 69176.52339 2668.188168 4745.699215 1821.034403 4496.515439 2330.915079 1463.782389 3981.132107 2642.441028 1760.1836 1830.066815 1162.67929 789.2574569
Irilone 4'-glucoside 3090.865453 2917.3587 1328.999459 6197.739719 2854.333307 6554.763371 15523.13645 23064.11473 32255.76119 27669.84641 19572.16145 14797.99273 166379.9526 140215.9969 137169.2868 117877.1997 101363.4543 154973.4637 79285.42263 81348.14635 81510.09505 79644.59619 72717.69391 64828.61293
Purine, 6-(o-nitrobenzylthio)- 8092.678227 8701.211219 2311.134052 7802.813732 8034.650318 153.5547091 373.8899308 1581.936934 231.5304828 1104.872726 1062.181037 1817.547595 517.0444832 217.1353378 455.8654546 369.6420505 627.0065726 87.77397098 357.7770783 1943.282272 360.9047458 234.4155645 1074.627874 2358.461161
Caryoptin 3.565019434 0.749432107 0.808824813 20.36718384 3.857728577 15.05178812 4.296869685 9.673073988 2.340081355 0.867445645 17.43972937 6.982403152 37.39083802 8.694656594 6.193149672 4.417927242 11.70294228 28.95853335 35.23223373 23.1285129 21.00025378 2.965454305 31.56074822 32.52857178
{[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}acetic acid 7237.598695 3441.125165 4242.327525 24241.02423 12053.53728 626.788799 685.2611399 1586.667838 854.0265519 24134.72792 3257.756099 2347.678924 45558.22412 45097.6322 44479.57995 51898.29878 48039.04125 45471.09957 6580.824796 6411.496659 7670.814439 7033.564928 7274.795969 7342.230728
Coelenteramide 1749.385186 1907.098399 72.16233673 1963.730429 1294.937745 1707.754901 1863.772185 3114.759547 1965.851845 2502.814236 2795.420265 2748.250751 7735.49476 15069.71206 11690.27801 12886.00398 13617.78441 11133.1481 28143.70743 23717.02838 24174.80951 27081.01367 25019.19556 26376.24399
Hexanoyl-coenzyme a 1566778.249 1423377.778 1361347.794 1391368.624 1444557.171 1370519.176 1337385.426 1335575.21 1341605.271 1348388.032 1339069.398 1301588.105 92452.55702 42729.76461 4051.477537 17042.88874 8348.891522 12886.49576 10892.38525 3143.154084 19612.04196 7517.434933 6974.868137 3872.806983
9-Octadecynoic acid 2455.536831 2824.928164 2669.559524 2467.320239 2262.717684 2380.509642 2169.009505 2277.883683 2552.502758 2413.526876 2759.388768 2686.034934 22545.16364 21228.66569 19732.78449 23340.91948 22832.5296 17673.68623 27837.13981 29651.57463 29605.36623 33396.89063 32732.25699 29803.10848
Suberic acid 185528.1264 183039.8731 187237.1751 195708.5369 176110.3305 178857.388 86660.73532 87860.84733 79875.66778 79947.80731 92687.85886 85064.0917 2132.138113 675.9485525 705.892192 780.3772964 180.8081424 1731.95495 484.7188117 1516.686357 1096.130872 2592.996256 1203.877319 1985.754946
isorhamnetin-3-O-glucoside 95844.24362 103542.9512 19559.04761 34572.78798 15542.87528 100075.3851 123598.0744 112828.4488 114085.9565 115931.9859 132558.2105 113119.084 121747.823 171327.5789 168263.1688 163272.2876 155632.6062 168683.8093 51317.66615 44536.94397 60281.99733 57139.28376 58497.46458 53670.35161
Isoliquiritin 61736.37771 64656.30492 58297.4011 60594.138 60837.90435 55706.069 12156.57746 105938.9749 105490.9518 111980.9182 103618.4885 103874.6468 63525.01048 91311.87739 92024.44797 93497.49014 89337.6042 93845.44466 44649.97248 42552.6925 41388.59452 45366.04803 46553.5608 42526.15577
Kaempferol 3-O-alpha-L-rhamnofuranoside 156535.9354 153533.9209 154085.97 70164.67025 150284.6157 165516.306 163825.5551 163655.6907 115130.9223 157231.4831 156660.5447 153217.602 39823.36132 36947.28285 29739.47904 49652.91274 39879.17523 43140.38759 12917.58634 10598.68026 13995.63751 5080.865998 10267.15771 5147.533364
1-Bromo-2-ethoxynaphthalene 8155.040757 8958.78125 10363.56304 10519.63021 9735.925137 9357.919464 4583.850426 5030.21728 6138.597059 5805.497013 3592.750178 4145.223122 454.9543249 607.4367846 878.5540842 448.6815936 1391.236444 1339.865274 2490.781916 2003.383854 2464.832789 1788.326207 5551.21665 2650.508705
Hydroxypropionic acid 1507063.325 1394412.141 1440178.648 1454198.478 1381312.377 1503322.923 762678.9439 767021.9112 722466.0847 806749.9177 788893.7091 776180.7483 1219952.999 1153133.561 1253108.613 1184232.435 1341875.02 1204391.232 495331.4546 472950.2159 488167.0433 507200.6659 459397.8309 518537.0071
2-[3-(Trifluoromethyl)phenyl]benzonitrile 9322.813218 9332.588239 8814.343168 8453.398117 9255.024676 7494.00476 9382.114162 7764.906857 9010.830711 9159.499401 7860.45852 7948.549756 4056.143474 4485.735247 3969.848628 4430.922752 3995.69463 4702.861739 3406.900401 3915.348557 3783.30612 4222.302631 3873.316383 4309.462263
4-Hydroxycinnamic acid 31175.17767 31784.39979 34455.06637 33357.38582 30791.54686 35508.50482 31445.10947 30965.21895 31446.61337 28080.21269 28493.7858 29320.79738 73563.33928 119177.7262 119844.4581 121379.7797 70492.12904 114541.3533 68250.54946 63625.92922 68742.94241 67138.91949 180746.701 64182.00246
1-Methylhistamine 80.24182274 23.28880455 294.0408764 8.509388722 270.7813088 125.8470834 13.73439172 284.4832577 162.4127931 259.627768 369.5505846 300.2617915 2568.949595 2697.037636 2938.619822 1853.675794 3068.983633 3178.439229 1939.388626 1634.691865 1551.763183 1824.438042 1723.225005 1728.300282
Caffeic acid 23374.41381 24662.63347 23597.44073 23541.50565 23041.95209 22766.99875 16195.53157 15937.13615 14488.92141 14767.85978 19236.39705 16075.11749 1587813.025 1595883.83 1607452.491 1668192.495 1583297.323 1595075.163 2944716.995 2874218.88 2906662.696 2894216.733 2897541.553 3036513.067
Rhapontigenin 17284.61713 17143.99828 17130.20343 17305.2184 16262.47003 16640.61196 3029.086376 3774.845461 4003.311949 3791.919732 3733.394078 3439.089982 1390.608643 1868.391483 9.881187238 27.79073023 1507.801547 1066.526395 1248.447583 789.0451765 830.698834 935.7099504 861.4007563 641.7400112
Floxuridine 14333.93693 14230.50394 15984.68067 15121.39043 14732.91215 15064.16482 27636.15279 29319.82222 29808.10956 29187.76434 32100.3075 29711.14836 26482.48474 31583.5957 22118.48357 33659.31556 22403.0981 18236.51202 24472.23474 22179.45153 25081.66934 23572.43652 23703.137 24511.6402
Ascorbic acid 225.3235443 1735.991483 1677.05079 1511.128879 449.9509141 630.9499295 30559.45778 26744.10394 28957.03554 31057.73162 34578.65426 37689.25212 165643.1616 155594.4473 155483.5554 154049.9984 138166.5571 139789.2231 197787.2723 186579.1473 192543.0668 196766.6425 180193.5749 247547.2955
Reserpine 95.54516088 127.9922408 114.5362948 168.1508263 148.2048549 178.8981251 50.81775798 126.2500041 113.7462715 41.53513796 30.00491422 104.041659 411.9405625 246.3775368 559.5661819 316.7214555 177.309305 303.0150906 3645.14391 3201.489713 3825.028041 5121.547464 3941.502053 3300.774828
Chlorpromazine 58.72538139 80.98653918 449.831808 167.1194782 78.75511718 27.22529573 103.3202526 201.7004879 100.6542605 70.9636912 59.19784591 174.6511345 3404.89471 1395.495165 1054.970324 4574.256191 1949.335727 845.0436474 14758.81706 13866.42972 8860.062668 12695.1599 2822.003948 10458.63729
Imipramine 475.6001667 1284.562764 447.4334162 1602.575411 459.8453902 666.380106 414.1601985 561.0962222 26.34134028 949.454196 420.5720625 430.9362576 19753.97342 19420.64126 20234.24205 19825.87692 19669.21261 18899.96932 5966.298867 6793.950116 6989.243316 6851.034442 6733.066584 7790.308461
Thalidomide 3318.135445 4049.383336 4158.148499 3663.774385 4639.927937 4214.337585 6651.292905 7188.454757 7502.944649 11210.68067 9667.153607 6209.693812 29700.6694 24926.42309 26456.67509 27136.22474 23525.21235 25577.05269 42633.94364 41271.4006 43450.69128 43731.80343 42903.74031 44279.67004
Phenylbutazone 110638.3884 108515.4361 108444.5164 109412.3873 104715.1177 104698.4502 87156.06531 84578.65328 84344.10312 84857.90242 88619.76968 85207.91566 283371.3693 283127.5085 288159.9522 289319.2172 277584.5281 280225.5243 323497.8664 305334.9998 328830.5742 327692.8497 314685.4209 324482.5446
Mitomycin 7488.747067 5825.361147 46622.79841 6457.635376 8998.308265 5551.487492 5374.606885 4190.092973 7436.644909 3898.431307 24.72051969 4821.37929 190899.4615 184971.4716 176379.812 191110.3131 181876.8209 156352.3118 72381.10723 72317.74696 82785.55898 77475.15018 83197.07288 75132.71991
Phenobarbital 57297.57217 60460.12238 55736.49211 59060.18301 57578.1015 55885.49441 48320.4412 45066.10076 48080.81323 46884.55599 46954.22192 47474.42702 7397.91221 4064.797157 1882.415668 3226.614735 5302.509812 702.4365953 816.2473184 7431.679968 2629.153381 10803.33184 1046.742233 12610.21783
4-Hydroxy-3-methylbenzoic acid 3329.543245 939.4624615 966.3905428 3759.434356 3091.078691 727.6142372 17191.88412 540.257639 19277.50836 317.8841893 522.0815812 515.8761211 400084.3053 372142.128 369536.2407 371233.5137 367048.6214 379993.0649 141145.5687 141600.622 153222.5528 147615.5304 148015.4033 151691.1274
Gluconasturtiin 1732702.72 1439177.887 1490124.743 1504232.452 1343713.982 1623526.383 2897250.534 3684254.13 2615080.653 3580315.382 3060723.415 3325949.506 141213.603 131451.2771 233189.1687 128628.1142 180601.6297 215090.1662 269082.0637 253390.5427 428677.8395 469707.1002 254549.4336 446828.8752
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate 1353472.127 1321180.766 1406750.189 1405862.894 1276940.633 1326258.798 1299734.363 1331253.718 1235511.459 1317325.507 1344732.947 1347442.106 195130.6671 194863.2153 184192.6268 198694.5851 193752.6752 174669.1052 111103.8679 102834.0625 113752.3066 103066.9659 98381.10518 110605.2689
Levoglucosan 624376.212 623087.0523 618548.3788 591204.4133 607355.3149 583244.0638 491881.4299 506282.4726 796903.6913 497590.1607 505525.9779 501379.1207 232093.5082 250698.7693 211197.003 189930.3519 224057.7837 306099.6165 192387.6257 173576.9748 180770.7484 186469.8779 182076.1838 190687.8396
Alpha-Trisaccharide 17.13147368 462.7403585 184.5533337 25.37748385 367.8622275 630.3577452 500.6411197 319.4328381 117.4277499 256.3491471 175.8305096 240.4260072 7135.970379 7612.487447 8303.997722 9327.383147 8170.194261 11248.879 21649.01993 21286.74859 22205.22046 19793.17683 19798.03476 22055.63921
Metixene 72.59982868 139.3060965 100.1933025 248.6080362 917.6728421 118.4095738 396.9458581 393.9388083 344.3798941 158.3502796 291.2030816 1424.963663 22527.31725 22268.8022 22230.49742 23590.52067 25102.90247 23826.96396 22324.49294 22710.01182 22251.86717 23326.52668 23777.19884 25851.95982
Aspulvinone E 35936.47845 20068.64346 33668.45936 32587.60048 31100.11603 31830.2521 30948.93308 32246.71472 31062.61793 33076.37269 32814.63979 34292.61431 364213.4081 324739.455 386009.5962 339669.4464 331361.6707 327623.6354 197642.7585 167535.6355 188234.1192 190353.2045 175504.6557 189993.8963
(2S)-2-Isopropylmalate 174.786142 233.3551705 419.2877159 606.634206 333.0592549 686.1284804 688.999279 367.0863529 909.5434897 224.3121075 614.1628851 579.1728071 25305.56369 28631.83339 29226.48598 26702.81064 29838.88198 27151.24224 82582.14309 83890.38357 87571.91894 89161.52537 80775.66723 87783.38968
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone 31838.60745 35218.74182 32390.22204 32259.05947 31446.37603 29138.94121 27341.53396 25588.62453 26338.95591 26525.82815 24889.8464 24031.07869 7883.434068 13168.24931 11279.767 6297.90587 13638.63411 13129.21564 9869.660025 9278.381845 9261.159572 9326.79991 8737.603962 10377.48096
5-bromo-N-cyclopropylthiophene-2-carboxamide 5471.496998 5751.045693 3233.35541 4742.914765 5177.300345 5255.240841 654.5879293 778.9839573 881.9373363 766.1057603 560.3004419 847.4410902 5497.690132 5310.503738 2636.546128 1782.215015 4145.662411 2225.584561 3777.018064 2936.30921 2966.751764 3372.904821 2976.660582 3616.55401
Nodakenetin 36958.80046 36101.11753 8010.460064 34972.04143 34854.5913 33661.38894 110959.2314 115676.1753 112896.9289 102220.423 95757.68148 90708.83197 60.67681423 38.65129224 117.2326178 87.67572696 249.9537109 27.41706018 141.3895699 229.3493845 92.86214933 59.39777799 160.8576716 82.63132565
Gentisyl alcohol 5671.975026 5762.931806 5109.794924 5479.26874 5574.430239 5160.587584 3178.461391 3502.747815 1673.515194 1975.450185 2981.881757 1989.503439 96526.14488 92171.78989 94888.82057 94363.32273 92133.46042 92730.36594 30068.05596 28338.27083 30836.09961 29937.38251 28235.44226 29265.52372
8-Chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-benzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide 215313.5509 455514.3188 233964.6295 228365.1969 398969.3285 217359.0938 186620.9194 217964.352 189828.3891 203428.8252 180446.141 93636.85456 32334.35083 99447.63168 100101.7153 102811.439 99869.695 97362.4588 20708.1528 14767.13356 17456.42889 16720.09403 24317.9632 16220.80927
C.I. Pigment Red 149 3163449.136 3106306.947 3215560.807 2926281.423 2930312.653 3089228.847 2038602.081 2058697.839 2068238.559 2058302.624 1975999.183 2093615.028 373263.7112 164657.5541 142621.1776 334345.4901 152064.101 152569.7881 45906.94192 51991.26171 49854.88781 56048.23627 53886.3448 54254.68886
3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide 5349.840664 4400.356306 2965.08303 4218.957989 4006.385308 4976.878268 4019.556022 3617.545228 3222.458779 3411.609938 3352.371319 3019.694911 2564.43889 3184.070387 3872.962792 2944.403304 3804.826196 3607.691925 6066.930353 5788.040337 12588.83787 7743.40435 9334.591006 6100.346443
Glucovanillin 2986.964453 4148.91683 3466.564649 4364.974925 2155.558687 4520.182002 4041.712248 4429.149963 4937.061095 3648.23288 5599.875257 2479.086662 48493.59015 45633.46323 48767.23626 47779.11636 74377.32088 46695.79426 82771.04101 86934.80294 89166.13199 84990.62875 83844.74869 89869.53938
Urea, 1-benzoyl-3-(4-chlorophenyl)-2-thio- 960.7286484 669.5644394 673.6267766 231.3390843 146.3371135 439.4171986 19599.95684 14297.55945 24036.23166 11544.59844 21088.97241 20448.82957 5126.234275 7667.756313 6754.139374 9138.577557 6582.972007 9152.71889 1125.183369 1611.006877 2755.40747 1214.599393 1876.256326 2461.096429
Butin 2990.663505 5121.802724 2019.714583 2856.370489 4230.904045 1422.406107 382932.0421 330069.7259 357371.2037 403188.1268 417412.0758 473330.1774 2157379.903 1962764.425 2101739.747 2052887.585 1836137.186 1925529.976 2593908.608 2484593.964 2603947.392 2536316.43 2376775.842 2479246.35
3,7-Dihydroxyflavone 64765.08293 44420.49412 66687.6118 65022.63344 7020.590277 64198.69002 48040.90207 49604.12156 51382.97042 57384.76101 56620.95203 51117.17523 140537.459 144866.1682 148967.8957 145567.5523 143057.6603 133217.2385 142189.0284 152250.4013 151374.7885 148805.5693 148797.1429 151433.6398
5-Ureidoimidazole-4-carboxylic acid 8538.352984 9056.338395 8650.795108 8137.973408 8305.925742 8265.251562 4953.64537 4534.033905 5169.194207 4153.925762 3109.938425 3786.566942 1480.69638 2409.349098 1806.160814 1920.750546 2039.228247 1996.188455 316.7701126 323.9850617 339.4500349 291.7564424 602.115013 140.4709238
Iridin 134642.7294 129984.8074 127915.2112 130390.1676 128570.6368 107153.4468 91400.91758 110003.4876 79161.73666 85331.41438 69448.55914 70310.2626 124929.7879 123468.579 130726.6543 128259.2073 115573.5776 120409.5606 229538.4437 190113.2523 240875.7959 201344.7095 237197.9897 201780.3579
Emodin anthrone 169600.6416 170321.2987 172869.8851 165361.0325 163397.5231 167460.6175 98362.94426 95218.79077 92919.28803 96521.27047 95719.59874 104758.2897 161683.8317 165583.4135 168130.07 148473.4815 161618.7718 152667.912 198788.7089 191284.496 211044.2467 193523.8602 199099.3924 190732.4574
Phloroglucide 9830.628137 12257.19323 10604.74025 9251.99451 6141.871998 18725.92176 16288.27679 12178.27878 10972.43771 14202.01697 14632.21147 14517.12252 1892.733871 3303.725294 7172.394923 3637.293561 2005.348203 2055.115338 1340.531677 4173.70788 1318.207478 1192.479259 1971.479423 2941.048812
Fisetinidol 209390.8995 184030.6253 178588.724 205469.8975 192500.6939 198442.5163 111053.3576 109560.3158 112861.6734 109973.823 111069.3902 111855.7886 392802.425 409264.1011 395067.8053 385171.516 398572.3289 400184.7776 88911.81225 87106.91709 96969.52131 93735.75192 91178.97944 101487.9285
(-)-Epicatechin 9345251.757 7479990.266 8024519.008 6912348.242 7154000.607 5868905.894 5943036.297 5434872.562 5544992.578 4582197.301 6010110.087 4075322.768 442040.8243 627348.3882 621898.2623 534214.4668 546500.1327 581170.968 94014.54417 105248.6005 95637.04612 102277.3219 110473.8039 105169.7825
Robinetin 26621.63558 24310.29904 25456.26773 24219.20831 22640.12434 24043.05222 11841.09866 11280.25536 8577.396653 9472.309866 9060.75424 9169.757909 67271.88073 68435.10061 62402.23078 59886.40133 69237.90581 60009.74741 52001.0719 48369.03282 49578.53281 48412.13472 51040.86738 53277.52339
Protocetraric acid 207.2875549 391.4970781 5755.87474 7698.693398 4966.61036 6814.627828 5597.110585 6775.342861 11354.94127 517.9067962 7581.058351 8222.127206 64429.7602 68140.29917 63394.48616 68535.81997 66196.28354 66335.71873 64771.78121 60552.43295 67502.01077 62540.43321 62160.70546 63187.06819
Arabinonic acid 27949.38786 31960.43493 25719.3472 27267.91698 30491.41375 22345.93639 28859.79219 32591.30252 28211.62086 29488.13181 30802.31558 27376.77587 3846.515242 4432.973983 3551.411534 5125.690329 2494.06217 1911.093079 3793.57548 3190.283616 2249.56317 2171.548994 1892.078265 4073.500882
Butein 886.8642157 2219.260817 1240.352505 1641.478328 2147.460717 1863.153109 18971.93982 6990.596107 9639.360299 10829.69383 10299.22773 10059.03889 73632.64421 114401.6482 75230.24625 69798.84588 62679.01382 101893.6991 117895.791 105400.9411 179288.3361 173879.6205 101314.5259 172657.801
Ochratoxin C 98683.11439 86712.94308 80883.84933 86575.51123 86251.51918 81374.0034 71407.55035 67079.36751 74176.71242 70456.54714 67888.05693 65247.50465 1813.265421 4929.980411 4053.20054 3217.936139 4085.950553 4339.533728 308.3603455 349.9690167 561.1370865 521.5741874 380.0281667 238.342913
Ononin 12939.55446 13865.79823 10727.62727 19077.30573 9028.01922 12981.72532 6430.718485 26794.22877 13222.0976 26222.50295 28084.96061 13710.28688 117683.9724 108764.2247 58269.37037 84753.86532 46970.4706 78330.5135 68083.76891 15369.46934 54480.30471 65025.37342 62213.46945 82719.2166
Bergaptol 4407.218102 3791.624451 2411.717419 2912.037248 3114.894332 3385.266482 544.9914281 502.7246016 735.9209989 876.7331605 722.8100864 658.4035666 22424.29687 12876.55605 11985.34895 23917.38546 14106.79122 23699.90019 15577.16441 9019.924999 14485.69065 9279.464617 8995.074863 9558.075729
Daphnetin 158.5441135 92.98182372 99.73649631 85.39241317 136.4132273 142.2481204 27.89457012 50.09641639 386.0405944 75.29639531 341.2109428 355.2294973 138879.0942 139162.7209 134832.0644 134114.9938 134576.5204 138030.2696 208327.9259 237012.8261 219879.1866 217844.0286 208050.044 216113.1042
Procyanidin B4 698695.1585 673151.7068 655043.891 700821.7064 665838.5747 670278.2142 580068.5532 595967.8356 578712.7082 587391.5408 583514.1783 570432.1325 338941.9442 355202.3646 328780.7347 339060.3013 337268.4993 340460.6317 140163.6629 114349.4135 128413.9506 120538.1936 126877.0319 114046.6145
Adenosine-5'-phosphosulfate 45818.1727 36673.33552 30969.37351 39030.5629 29699.24692 41908.40811 22538.40678 23455.4481 25968.4263 23820.48608 20078.76436 20132.23682 37350.02281 36450.12799 40665.56798 42820.1949 42342.64752 42547.85685 5551.365829 7159.535785 5082.07921 8162.735047 2652.406211 5672.134109
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one 12070.58537 12404.23168 12574.52924 12865.35051 11168.03946 12662.64246 1891.998903 2176.625541 1833.476183 2094.597158 2170.103892 2024.742228 557.977767 114.2722955 201.3947596 508.8260594 304.0149263 340.4992745 105.1820247 371.5137949 69.61291652 93.46800504 23.37706356 53.74515369
Osthenol 34074.62223 34806.76042 32770.75443 32344.18054 32611.96563 29264.82872 11944.26931 12061.88314 13153.50484 12745.09121 10307.90841 9692.574134 1747.262441 1400.459081 682.2998799 1695.237704 1026.985789 1542.178141 804.6347312 185.4365319 914.1471047 61.47424586 76.48800718 653.2913157
3,3-Dimethylglutaric acid 4437693.469 4427980.346 4404492.789 4592706.567 4242233.169 4357128.113 2748932.227 2737357.948 2630981.353 2698407.657 3009416.511 2789947.005 386560.4289 392495.7983 388357.5887 432346.3702 384347.162 397612.8639 403059.8333 375729.2522 408077.2417 389213.8409 382948.0801 405612.159
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 1558.162409 2687.281045 1905.301676 1634.408261 1559.774613 1684.160083 1816.791356 2885.152812 883.7677199 1763.858214 5184.411245 5033.611684 5968.138336 11406.78133 7614.162913 3778.196056 3764.718202 13067.79017 29724.6635 22621.1043 29876.75385 7567.709509 8359.379488 28451.86709
N-Phthalyl-L-tryptophan 17567.9336 18291.84319 17528.34595 16942.56815 15969.12675 17694.99358 13240.86089 16079.58846 14470.25027 15281.02999 17476.37648 16290.45012 792.754736 1137.69564 1431.54958 51.74869611 1124.385899 998.4948743 165.7079033 289.0455857 882.7460638 90.88653981 149.7213902 201.9853989
Dalbergin 144085.936 139976.1453 86577.44735 85360.15617 83946.76779 85902.57432 34423.68336 54899.65384 32537.51228 38872.7777 32752.43016 54006.3533 10415.53767 1091.975018 10155.69817 12162.41505 12736.995 11064.42837 12917.76486 16906.98449 19995.7686 18677.35689 18782.97961 20073.40463
Imperatorin 5820.82054 2534.125818 5907.430906 4926.382693 5518.066407 5814.711567 17363.50452 15933.24132 20700.5144 14770.79507 11908.54591 10798.68562 1439.464689 175.6453591 1157.908046 1440.053565 250.7357547 1099.616978 348.6795301 842.3008813 1032.191822 74.43719431 46.14252209 86.19081983
Kaempferitrin 118640.788 110859.4167 105320.9014 133819.5036 105147.4132 103535.594 331846.4887 325846.6407 320850.7322 326190.3942 363398.3821 338245.4045 92328.13562 86455.64074 89919.04629 96111.02501 90666.93242 91410.11084 33600.65399 34135.42353 31016.96503 33878.57401 33073.98245 34411.70773
Isoquercitrin 4968.941337 4200.314866 3270.283645 6992.104328 3156.025298 7828.418429 6969.633971 4205.535365 1546.403026 4603.130467 6495.968032 4979.778458 65094.10761 57793.77168 94793.97076 48580.17951 54719.63867 77789.37903 74545.04502 81731.76016 87870.11874 93276.57749 87125.63673 97183.91528
Chrysophanol 59328.73973 58046.35609 55214.37206 58187.58507 57575.41014 58741.32218 88120.5531 83192.9104 91079.22433 90304.79997 98279.5084 91389.98401 295.7510899 201.0215288 123.1480567 268.60006 29.73852341 163.4670507 131.2507315 1365.144458 216.1768327 249.5371159 1784.299858 172.3317877
Aloe emodin 27996.13888 21846.1857 29111.40024 24628.46932 28301.66823 27112.75823 83623.67348 81326.14403 86605.40842 110785.2666 80218.25698 111590.9073 2944.815304 6637.059935 5387.362453 4103.976169 6036.770294 14716.82673 1930.65468 776.3757965 1874.229302 1524.350517 1058.87717 3059.755393
Ginkgetin 28452.47242 15070.62693 17654.19614 20638.9809 2339.739903 17654.25021 23972.25304 7279.182003 30235.95957 25094.05245 53202.16842 31418.81634 346168.7704 345095.8711 331030.5454 357999.0603 340310.3658 342263.7445 180548.8206 173403.6591 195524.8757 182228.9068 184977.4712 190676.9363
Juglone 46141.53404 176405.9714 41750.51311 41733.24607 42880.35987 42601.92349 31551.4887 31651.92556 31670.6132 30327.01728 32901.76651 29575.27927 85483.36155 85259.15832 83851.01302 86237.27055 87607.35564 83921.17961 26448.06845 24421.23137 25871.6698 26023.57058 25837.68539 26950.10194
Santonin 57.3492784 26.09627671 11.58576979 27.48513742 25.8082814 6.4807402 16.1823987 5.318689358 30.71014624 5.777973765 7.539573014 17.83106752 40.12766824 47.40645258 190.5775784 14.21011936 4.868026894 13.48570447 3285.754886 3199.952151 3339.289155 3341.109583 3484.565359 3387.937633
Lecanoric acid 200621.1217 203571.392 198960.7696 204816.895 193484.8041 205705.4958 358989.4013 372674.7221 340173.1178 370214.1389 371532.1036 379380.1685 70968.6477 68040.82827 68855.7439 63979.86052 65650.62822 64507.15686 23229.21831 25466.72822 24311.49565 24607.6056 24632.6776 26409.51369
Acacetin 24049.06782 23982.29709 612.9146966 10424.59229 7546.732216 20509.95311 7617.141186 8090.066127 10123.51188 4778.10292 7895.732144 4235.158187 133655.4353 130078.354 141942.1863 122868.1899 122629.3399 123133.8774 64659.65244 62778.81795 68902.63797 72848.06811 71410.17796 78338.90055
Chrysin 3719.93508 869.0956871 4857.197439 4382.142187 5209.394805 3652.333391 3.024047006 5605.36848 4581.87481 1802.436674 3724.042707 274.0435568 33.03977249 108.2732259 2221.99614 182.0104672 17.61289132 1391.224918 103.5321971 729.497231 623.5643226 924.3082548 89.90405549 34.42910882
Taxifolin 36397.08618 39665.26253 41225.56076 39137.35806 38289.43896 36807.80479 40328.15961 42072.84987 40410.20069 43736.18712 45773.43937 43501.47785 234.6140963 764.0533839 51.3171639 232.8100369 411.1263156 99.57437355 88.27457773 611.2673358 25.50165785 402.1856833 279.2660322 398.1856697
Aucubin 2764.599777 3520.760751 1090.88432 2002.833877 2665.973657 1239.010947 9077.01977 12562.55462 10323.07866 8605.600815 9428.497332 12857.34152 271972.7702 264957.2497 271737.574 275661.6996 283943.1608 277110.554 79972.10264 45754.0597 83720.32215 77124.57823 85849.47009 88665.12878
Artemetin 347.5541507 9714.264663 8506.323817 10360.34293 22.76069327 515.0740988 1747.010272 806.7544171 2971.102285 142.4814637 4897.662101 241.033708 15387.36617 12219.68509 25595.74291 11523.19619 11175.02484 11460.31693 5422.799875 5994.154893 5416.606521 4684.012255 6703.931021 4461.443326
C.I. Basic Red 9 46.1253732 86.48196419 6.905696484 6.983458772 69.61952931 37.63607248 54.2131137 54.59701304 104.1813044 26.1496702 35.59001671 40.2401467 1264.274908 1722.941981 1214.77335 1443.892919 1715.071014 1275.285645 52.9847566 123.9725918 219.8105336 174.2681258 119.6301846 51.88931818
Thelephoric acid 3366.201559 3862.439088 3681.686257 3709.684529 3283.363104 2165.974021 4384.069544 6931.071027 7032.609176 7260.847488 5530.050598 5712.168219 26770.10571 22563.77009 22219.9569 21465.15375 23410.0639 23779.18229 8897.416152 8126.848526 8278.84308 8615.335479 10242.95388 8609.107895
Indirubin 205703.0676 211042.5729 214506.5493 201073.7756 206485.5821 204842.5446 222286.1632 207330.3638 202683.6182 196708.3998 215973.8839 199635.9025 15003.30873 13016.41838 11290.78556 10581.98218 11840.37051 11857.94717 22265.00418 22144.84821 26900.21273 23720.19501 25709.80883 24757.12988
Coumestrol 99550.36755 105223.9 106105.5761 106362.4676 102133.5365 96713.73865 67621.82833 63072.08789 62850.09083 64277.70313 63760.60184 59734.21725 337099.2776 332231.7801 324080.3913 318640.9034 330792.7248 319690.9339 204276.7422 192740.0645 200121.8173 204980.4291 202951.2152 218124.7373
Rhein 315097.5013 313532.5887 328048.3169 348937.5465 291611.1469 304879.6596 264457.049 253621.4995 259922.7929 250287.8024 191600.8637 161080.8243 3961.586439 7047.000349 7774.772677 7869.446873 2931.654839 4465.035389 22648.67668 22030.53585 23762.16029 22497.61783 20807.41401 21761.43865
Lucidin 22399.49486 5802.352533 102381.4862 105624.3295 53112.63081 104049.0062 53800.29434 70980.02314 56809.96849 40149.9194 96057.20083 31140.63667 104561.4013 106966.67 111241.927 98882.4514 118312.1815 75624.61885 133433.3789 141284.1583 140087.5783 96319.04614 108422.309 140579.6872
Nobiletin 3471.267706 2458.227726 2195.357617 4031.103526 2188.836365 1848.523137 6256.042978 6596.48031 6878.377654 7414.548822 7830.001695 9392.391504 10966.86626 12390.36178 10559.83265 9132.061192 9883.855913 10323.98637 20761.08207 21029.17158 22458.4154 21965.96148 20242.39154 20840.79061
Demethylalangiside 3927.964028 1063.276336 3911.180156 4003.592814 1329.250827 2608.321261 1617.420077 1797.736224 2652.554474 2767.661935 2407.084409 2755.459852 1809.49365 1252.528069 1532.737433 1209.030902 1186.863928 904.2784376 1162.304152 1807.973507 1988.614666 2209.715491 3027.580007 1337.030955
Talampicillin 3427.033878 2725.726599 3503.002564 892.3623726 4343.68933 1242.599168 7381.770531 5668.535514 3149.325945 6643.410191 4999.126707 7124.292897 115111.6313 113778.1534 111705.1304 112756.2831 112529.0631 88371.50855 131681.1932 128316.5003 126360.8565 136097.8984 127306.7725 131730.3265
3-Pyridinebutanoic acid 15860.55567 16555.44377 11755.84075 4611.590236 9260.82723 15584.09879 22377.53401 21717.8656 23658.7326 21486.67439 21500.69901 21626.98073 3829.368855 397.8563525 295.2286551 2035.110946 277.4785961 923.1178927 2937.13993 4154.069418 257.6231412 2648.201023 2444.317588 4067.61761
alpha-CEHC glucuronide 58.3073394 272.6955239 104.8145995 248.9964228 29.15371347 842.9335662 615.1018816 479.9454788 287.5702982 684.4158038 471.41795 596.8556774 4353.370905 5469.158683 4402.457317 4676.349214 3662.235796 3095.443618 23865.70655 21187.89901 22030.99274 20550.11052 20836.13147 21850.87264
Bergenin 399.1290652 672.473961 358.5257802 934.8278664 693.2608602 515.6374831 2418.561461 2220.801827 2028.495404 2022.285433 2836.597623 1465.367997 31657.21528 31663.46527 31963.49807 30287.81066 30286.68434 31402.56215 8428.46724 8561.996062 9426.118285 9863.805441 10601.54073 10159.8509
Podofilox 79293.57074 60549.86183 19.3212036 125.3461279 29.0609756 27.89483598 39.84984693 386.4220488 48.90674912 502.3100495 38580.73916 26.20419111 67277.60956 62768.3005 72377.95976 67705.64159 70206.38296 66372.72268 952676.5255 867646.634 926198.2209 1010060.348 807266.053 1009172.517
Colchicoside 3829.443381 3628.810139 3865.023636 4302.052783 3369.15631 4163.047438 7073.60559 10044.82344 7516.092096 5696.987561 8932.281452 4907.929411 205.766671 856.2770365 647.976182 430.3413914 962.6833811 322.0230067 580.1076971 197.5346745 616.855712 471.3487638 170.3449682 473.8475004
Tetrahydropapaveroline 226.2358988 700.8058305 350.5869145 423.7489623 381.2128526 472.1746695 2129.570654 2158.922525 1903.229425 1599.352196 2159.413988 1567.645934 543.6762936 690.6739865 503.2912761 868.7762038 616.3971719 740.1500645 1146.191106 774.146597 1061.718942 986.6127803 878.7887942 727.034987
Mesoxalic acid 7975.961696 8407.468871 6630.712285 9098.693029 7514.855154 8721.464391 8064.884012 8033.302244 7776.743662 8498.442121 8753.584497 8319.923609 8164.982473 6374.095158 8755.255734 9098.414655 9151.873616 8922.909874 10225.2175 10978.65716 10882.05537 10865.77777 10516.40454 10222.3257
Betulinic acid 15.77742725 39.31571356 34.71064441 91.3390675 64.3036087 38.05772784 31.72549503 143.9582949 123.0637454 118.2026502 26.77895588 121.8696465 5754.307392 5798.244442 4978.302141 5836.877804 5646.089167 4936.319618 1311.201255 400.8310395 570.716617 358.8728748 228.6452745 463.1744005
Biosone 23966.67457 21333.14765 23414.71131 28412.55608 23502.30776 21742.37056 37241.166 32266.41892 31867.23682 33245.11178 36854.92429 40595.26592 1391.471501 2216.220463 1570.163244 1565.940638 12.21263235 1490.618492 1317.182321 10.42148257 22.98852831 1212.730186 12.21270366 1280.280952
1-Kestose 596.7828564 1197.980948 381.1149651 311.2523003 1253.07514 756.1385063 1977.826895 523.4223762 961.1547717 969.5229519 1160.842997 616.2643323 21847.42054 24899.77937 21480.35179 24799.09982 23372.1531 20863.77018 30859.475 32675.07036 34629.83195 33550.72038 32555.98149 32475.18735
Carbenicillin 7556.452625 17894.55976 7431.914602 4911.597701 4095.04654 5693.556564 14006.32822 4227.994644 17375.63789 6739.517661 15318.88559 8996.484702 8896.573571 15503.30845 7565.245098 18185.44193 11659.96381 20496.34863 2320.96902 4402.933103 4678.403702 2470.026776 6194.78891 3804.463956
Acetoacetamide, N-(2-benzothiazolyl)- 14222.15824 16957.89804 15885.49528 19120.01655 15495.25712 20157.14507 3071.123269 4265.42792 3365.679655 2412.953651 3682.546851 3016.800196 9688.367653 8358.720074 8597.430501 9951.914229 9748.697407 7495.327505 10444.57049 5900.204961 7397.071105 8590.109223 9644.255533 11562.22264
Guinea green B 104721.6296 175706.6472 108706.7648 203317.5269 102926.9049 107405.2651 159627.4819 156125.9892 150696.3806 215306.1942 187162.2516 170124.6104 73507.36873 84982.63991 93269.69647 108530.4167 77762.15875 73865.04295 5593.362462 916.282285 7509.695737 2674.457659 5382.191055 16285.14812
5H-Benzocyclohepten-5-one, 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy- 305244.9323 297800.8511 296832.4238 297552.7562 281885.6377 296559.524 169627.9863 182412.4765 164713.977 181310.3067 143172.438 139759.5804 15993.92648 14272.83865 4941.602758 15496.50213 15061.11474 13620.78205 7031.002163 2614.811127 7798.572528 4802.577867 5475.346728 4038.515493
Isopalmitic acid 4781.910245 3801.911296 11008.46439 4149.074157 10862.31472 3610.840544 4471.814277 4408.834792 4745.773579 11513.47597 5132.390428 5531.900968 10469.03619 4264.311551 4174.807939 4732.366027 4091.751934 9694.095275 4957.685558 3826.32739 5582.70978 4391.606757 4004.810455 10661.55578
[(1R,2R,6S,9R,12R,13R,15R,17S,18R,19R,20R)-19-acetyloxy-17-(furan-3-yl)-8,8,12,18-tetramethyl-4,11-dioxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-20-yl] acetate 151.8523063 114.6548037 94.81897171 106.676668 68.91146053 114.1314364 9.539582879 433.2034428 1107.6858 316.2091992 1655.340367 39.14116692 3413.99044 2787.804831 3357.359577 3959.191632 3291.16354 3768.14441 169.096016 248.6818891 390.0936122 492.8584382 354.9713425 255.2764361
Aspidospermine 169.3609874 112.6617722 252.5109785 40.25386435 46.88098769 80.50785285 84.68031604 154.5206977 210.0233183 128.2574223 337.1947536 221.4145864 3473.525733 2894.087647 2876.297707 3041.362855 3235.417036 2737.258078 2218.623857 2744.096051 3308.257011 2569.614188 2727.685186 2996.875268
Proscillaridin 1380.722121 8885.099052 10888.78123 10621.62081 11586.61995 10014.7111 8851.103572 9273.208618 2430.094167 4839.698975 6169.275542 441.5411299 3756.947928 46272.73625 46105.66993 48063.92307 44795.81713 46047.54028 34496.47506 33471.24558 35569.84665 35063.40683 34367.07536 35490.49701
Hederagenin 2686.937485 2555.75045 1839.566293 2995.517092 2219.205957 2253.784939 8032.412734 3460.757051 2407.200112 2568.59006 4426.369059 2666.572655 31.05266379 19.10922268 12.48472923 10.70118252 16.61668278 62.10542714 164.8172512 33.4410595 43.79193104 12.73955137 118.6371485 20.77109799
Ibipinabant 4882.161259 6726.509758 6942.136346 6793.588903 3894.71943 3739.310734 4361.569582 3469.777946 4174.915808 6413.793483 3834.979227 3879.868481 19.96592394 57.53003809 150.6689816 413.6626612 430.60765 24.6051044 73.39244155 99.23735452 503.6339666 86.37692942 834.6652209 103.6573428
Asiatic acid 60569.30182 61676.59434 58202.81766 64122.07594 57822.49562 52851.37452 93731.54566 95394.96576 96232.30878 84628.79466 80222.68585 76157.03182 8421.217487 13598.44698 10517.96275 12059.59989 10904.93435 12477.46926 6459.157671 7602.326448 7930.967894 6777.969034 8684.87514 7469.48188
4-Guanidinobutyric acid 256008.9196 256515.3413 268005.0421 259876.4692 252144.4345 251477.2474 204295.5922 193085.1685 210756.0988 206985.7673 205214.324 201387.4165 206188.9556 208981.715 211617.3515 204399.3474 183270.2673 193634.9083 306465.718 315821.6358 325225.9629 314502.2461 322500.8271 307319.0518
4-O-hexopyranosylhex-2-ulofuranose 89400.86587 91088.59492 97320.17889 89702.32427 90870.38312 89761.44292 85514.59804 81889.21796 80187.12075 76158.89085 84388.99043 78065.44009 21202.75719 21043.15352 21345.61874 23044.79238 21037.01456 21481.36598 18349.35287 17791.18506 16481.76075 15819.3092 13426.88417 20223.5836
Curcumin 42449.47236 39569.1324 41628.24935 42176.98862 38724.72143 35484.51546 39520.53117 36024.3596 38625.69774 39379.52524 35793.49163 33706.87765 3376.566838 2845.976914 150.36727 4623.368564 3551.611045 3529.135285 1716.180704 2493.969508 1244.786703 1415.943501 1369.933836 2065.036637
Adenosine Phosphate Disodium 2398576.031 8174.649334 2311028.398 2360521.812 2226523.543 12139.20236 121160.8927 123208.0758 2528987.454 119193.8699 193204.5522 155955.8878 1909407.579 1957689.715 1950621.535 2033470.58 1895204.77 1948162.207 1459464.04 1416089.063 1504875.842 1483449.577 1453989.442 1501518.747
Brown HT 978.2426681 4042.057502 858.6670626 592.247396 469.0126088 487.7575019 615.7335436 200.4070376 311.8768429 2904.657506 823.6644395 902.7866089 4857.093993 4671.460626 4730.55171 5977.831006 4487.051831 5105.265852 3512.991258 3315.511944 4197.048398 4210.279809 3436.66945 3761.043589
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 211573.2285 204400.6086 208112.18 212571.7416 204755.5049 193626.0309 217420.7069 221575.8612 210137.7004 209480.7046 233970.1382 173267.7467 692021.6585 696651.9516 656637.4176 699667.1027 684656.1101 691047.3439 1057077.91 1005315.477 1097106.606 1075862.231 1080430.051 1053611.654
Succinyladenosine 1804.274159 1936.353506 1960.77029 1614.388658 146.4774045 2305.879536 418.450278 1481.956818 1589.337963 97.83365104 1732.986906 2337.839119 46057.97494 44151.83577 48289.89526 46527.97516 45903.75506 48858.95604 34741.2737 38884.85912 33781.32359 35758.77666 38465.45776 34176.17594
Homogentisic acid 5780.630882 6557.113502 6236.184979 5415.029664 7473.71426 7208.522083 6338.44937 5279.756447 6187.365445 6529.955201 6600.330354 5231.446604 106592.7534 111408.1065 109150.3337 109030.8377 108323.9343 106409.5722 65153.2237 59246.73305 65114.94555 60969.09954 60652.20292 66020.6159
2-Chloro-N-[5-(4-fluoro-benzyl)-thiazol-2-yl]-acetamide 22537.90681 24035.49329 24990.31582 21971.02909 24943.91842 23527.22545 19996.39017 23004.05593 23213.40969 18784.32974 21840.2606 22783.82787 7097.763683 7514.788325 6023.968614 6544.528725 3843.290494 7060.474528 5714.684703 5932.271401 6015.139779 5713.162904 5631.68279 6428.753219
Anhydrochlortetracycline 18253.64499 22580.12408 30280.94255 36087.53686 54297.55227 41241.5132 108277.4817 99330.41187 107814.3042 101801.0477 98561.98038 97110.72785 11161.85059 281495.9764 290392.482 282540.0159 337154.8526 254757.1589 114280.7045 109325.1881 117437.5171 121756.8021 107494.8777 119618.5873
Rubinaphthin A 728.159541 738.0187108 521.8139347 658.1314353 635.8809671 1028.254732 561.4969351 249.688506 468.6022698 285.0285983 628.386717 398.3351507 2164.805864 3220.453978 2017.342541 2469.599826 2074.025877 1906.83998 3429.44589 2453.525294 3305.473331 2904.857608 3332.499132 3508.024704
Trehalose-6-phosphate 87264.98042 78149.97984 86363.25781 79889.62534 76598.88002 82315.36107 64823.77869 48037.37505 45159.68566 44213.10129 44968.29297 39244.95521 263114.1085 290764.8601 259115.45 261856.2976 284332.7626 266914.7381 154250.6156 137196.5964 145704.9735 164635.3594 145065.6554 161779.8038
3-Sulfopropanoic acid 235.0990007 235.3935305 312.6552378 176.4089176 153.3952231 436.9183717 750.352624 126.3975315 353.670997 1042.234779 342.5347481 231.9058619 9386.422859 8721.908942 8193.117607 8685.431495 7151.931616 8281.582345 4049.575369 5148.543426 4892.800533 5262.899515 5048.808945 4958.680406
Filixic acid BBB 4135.764828 4220.613783 4927.334941 3902.90814 4229.936221 4250.380799 2129.168441 2521.902592 2074.862584 2335.628694 1597.945587 3162.807375 665.2248594 124.5660931 987.2516045 655.4120756 815.7458141 1238.411955 384.0768019 273.9296167 93.08123674 266.1398775 110.7248021 297.1004526
Betulonic acid 414.3831037 144.9063359 112.8731221 166.8814389 384.7151601 422.1306633 2713.268039 1507.061078 1577.285164 2257.39562 1370.120287 1779.125071 1647.761692 183.844974 192.3941633 122.6127535 130.373216 3.182144443 78.26904598 71.11535163 4.773305149 62.45736623 38.66966421 4.773225862
Homoeriodictyol 412389.7743 297052.1154 280247.278 287779.334 258761.5987 260502.1416 172562.2556 172877.5058 168606.795 181743.1261 177502.0285 179126.6934 3712.146632 5409.837204 3230.657749 3209.735594 3948.488763 3549.657756 9625.424632 9159.329486 1520.14402 8922.596244 29305.57504 23218.71669
Norwogonin 446263.0917 110544.813 98441.1812 101691.41 121288.9302 98901.6472 28191.86981 98813.31693 83328.30011 85571.61174 92233.85863 59560.37415 200920.8466 201172.6354 140213.5018 140239.116 209522.1964 113987.365 844448.6196 876722.487 267844.1128 281318.7986 260743.9768 253036.5185
3-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole 63.60873837 122.3160623 341.8981612 57.95474955 16.25561711 325.9940789 85.40125471 309.0308127 228.4594384 82.26233571 186.348612 99.16834224 1800.327572 1893.286526 877.2664558 2477.457876 2516.887159 1443.031529 2965.449717 2904.701265 3300.610021 2416.001258 2855.311559 3503.815849
Vandetanib 1327995.525 1377585.993 1411341.264 1444999.401 1295850.206 1332449.473 2479701.656 2465172.378 2431520.864 2311977.177 2629728.961 2330316.419 2757787.664 2904293.563 4275878.811 4882018.601 4585279.651 4268135.769 1366799.308 1192992.437 1422436.141 1315442.934 1429980.616 1529625.8
Rotenonone 12378.68818 20031.38535 17693.40036 40327.20005 11269.11109 16035.41169 5054.876745 3825.56273 6901.763544 3137.301201 4894.846515 5164.821486 402.5629992 120.9910776 163.8122516 784.1604145 441.5909502 1073.201269 419.1702433 47.28150183 289.9324659 15.16569569 77.40117767 401.3188516
1-Isothiocyanato-8-(methylthio)octane 253.5886874 556.5232723 435.0719692 218.2221728 130.8923158 131.7486048 69.47886476 152.4399578 287.7071306 258.0360092 984.5650742 295.4319802 7807.36779 8045.678103 7937.859573 8738.206319 7938.427085 7826.987081 4639.058532 4501.356163 4459.644843 2722.485697 4866.552981 4885.640036
1-Isothiocyanato-6-(methylthio)hexane 789.4964523 504.9238331 916.6337585 842.3159011 920.3705886 965.8566848 774.3050215 1975.311306 1154.497265 2891.305494 790.2212733 1261.21073 8235.337064 8078.779743 9786.623659 9094.785153 9352.679794 7566.424683 10499.00758 7850.947513 10234.41088 9808.446536 8778.521091 10782.39673
1-Isothiocyanato-7-(methylthio)heptane 886.375064 474.7647512 803.5958337 762.797757 556.9500956 738.4764414 193.3880862 171.5389585 87.47624143 343.0776531 123.576566 155.3238466 14376.19358 11447.11798 13552.72643 13028.1461 12772.05628 11453.61782 6942.395253 7144.529129 7207.426677 7848.726824 6310.685817 7906.079153
(±)-erythro-Isoleucine 1378842.082 1483666.043 1369158.987 1554833.902 1330399.765 1414389.337 1553644.474 1398646.206 1388757.431 1244532.365 1695290.683 1478559.643 294310.563 264790.9647 254327.0864 271185.2634 254153.1771 259108.4702 77747.95461 79985.24068 80763.88478 84505.12238 76161.3188 82548.40783
Benanserin 368.5686671 111.0492295 378.6820945 231.6536373 141.1752891 118.0168355 105.0908648 41.93714843 31.01107333 411.9087135 98.9765806 29.61899175 1036.52807 1944.611468 1674.857354 1725.37592 1629.181107 1466.97118 8104.849276 7356.112468 4567.215862 3423.971676 4469.067501 4628.38473
2-(4-Fluorophenyl)quinoline-4-carboxylic acid 16295.72456 8967.126574 9025.28192 11341.8301 5086.767693 9760.580086 8559.351204 5975.284465 13283.84601 7456.363141 5206.132322 6394.039046 261.055617 238.0170132 82.07268747 332.9762007 158.9665875 123.0789117 144.7840391 528.8152525 320.581915 57.83939812 138.1861211 246.0333526
KOdiA-PC 4374.904255 4406.144195 4719.532191 5115.129113 4464.249542 4946.406412 4488.564642 4975.597297 4719.569826 4437.631294 3628.761558 5035.358238 29651.29686 17734.7366 17583.99429 18033.78722 17108.11534 28186.85955 16364.81833 15988.91661 17408.17075 17083.87635 18318.2823 19079.93151
N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide 121921.4622 48222.32275 23637.42559 49363.16445 35829.64575 37516.23976 63229.53414 63117.42899 63112.95407 63079.60939 62842.70701 38991.89248 1102.225509 3605.068351 6955.449672 4684.742122 3426.668924 3716.969375 3894.957079 5184.988052 4605.39919 4906.090909 6051.369311 3853.116498
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-iodophenyl)methanesulfonamide 1791.124853 1897.550226 1700.3107 1941.426567 1845.352463 1512.265482 1643.696375 1660.645973 2113.805012 1698.815758 1949.999734 1484.483408 4783.322181 4738.111634 4907.015944 4628.204952 3694.425017 4301.648864 6324.795813 5076.866932 1347.177759 6706.255239 5582.151765 1794.125329
Afatinib 179294.4729 179156.5144 173927.36 175886.5017 172627.9807 166888.1196 152981.0167 146569.6251 149657.3271 147300.8148 142430.4776 139218.0162 57430.61868 75887.78372 81578.27681 72689.42994 124551.3243 82886.3577 52700.2513 53727.37292 57256.22836 39525.30704 40405.41185 42488.74746
2-(Acetyloxy)-3-methylbenzoic acid 415252.9374 408484.1013 402729.7236 434424.2057 404151.4932 407200.7218 224087.4799 215026.0863 208439.7147 219387.7195 228874.8562 222141.1927 842.7143892 1480.485184 3128.996554 2330.040998 723.0036866 831.5712394 491.7758525 1430.55226 530.951582 1381.489172 430.2087247 437.2704221
3-Isochromanone 65689.49731 66194.42408 64558.42296 67573.6685 64282.97195 64402.41454 65769.24772 62314.5762 64192.78201 73638.63904 64885.63604 65348.97948 152326.1212 156546.5004 157854 165025.9642 158013.0413 164850.7325 52532.4872 51692.59269 54535.49129 51467.41153 51678.47965 53046.55952
Methyl 5-((4-fluorophenoxy)methyl)furan-2-carboxylate 181.0795594 63.84528699 89.43478042 1649.003704 2108.817476 26.7793138 2697.361248 128.2008582 2912.159667 319.6372859 442.9191421 379.6683707 36630.62111 34865.23247 32868.28867 38655.99567 36948.44398 40516.63098 19015.96905 11509.46296 19255.5212 19863.92908 18685.23446 18623.75736
5-{[3-(Trifluoromethyl)phenoxy]methyl}-2-furaldehyde 9691.260989 8999.570968 2489.976003 6573.155158 3393.240458 8994.075598 12525.8355 16473.62994 12845.51613 14985.92305 14674.73272 15811.4641 826.011604 23.21534408 4432.793446 58.84877852 28.12169881 891.5926077 52.94841913 810.3581783 660.5255691 26.47595444 46.07088642 740.0425615
5alpha-Androstane 394.0959026 406.4898113 336.6025473 278.9590973 468.2493193 125.3148465 91.75798976 366.7387225 89.11229626 197.9866226 204.7400672 49.29012341 4070.115892 4152.23725 3871.765522 4236.388703 3965.292359 4405.835242 7660.49578 7437.199064 8777.099114 7606.680113 7564.007851 7995.002386
2-(Methoxycarbonyl)benzoic acid 414746.7469 417922.5531 436973.722 432910.2531 426532.2833 419088.6165 249045.5657 259767.8109 248408.4617 235156.8352 258450.674 257452.0979 19800.88425 14026.20675 13930.38117 15945.6749 14377.60871 15525.96339 11918.85208 12424.51659 17031.05991 13707.86826 23509.10941 13186.63554
2-(2,5-Dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol 12047.92941 12064.44646 9258.966389 11866.03476 11743.25508 12615.70227 7165.666982 10604.52025 12045.05925 14721.2212 15362.49372 19018.5422 8973.468508 1784.52553 1373.048716 1232.745967 944.6931303 1145.398438 842.829399 122.482803 900.2313133 740.7599914 857.9870435 349.8315955
Diffractaic acid 397.3171578 792.982107 635.6204321 452.3027142 519.5452016 1044.795569 698.3835573 746.1376423 343.9943224 270.2839659 262.7761837 435.2434458 7398.824606 7567.909582 7839.45533 8250.093446 7266.456615 6835.390836 7334.55271 8267.170561 8573.380527 11660.82269 9787.985042 9019.124593
Indolylmethyl glucosinolate 10981.51985 19399.83253 2145.891897 4281.502214 28742.86655 18799.27 5021.614809 28658.08559 7393.35371 26516.56834 21139.63956 11877.14053 5437.001454 32079.16529 40346.73324 36686.69013 15414.14978 23592.19817 49531.28003 51702.02306 49716.2706 49751.12148 49711.78358 35936.13707
Lithocholic acid 2446.861281 3237.634606 3075.067042 3135.172127 2661.992744 2817.146233 1075.103495 1090.150699 1587.731287 1838.774569 1929.704165 290.043651 14101.9277 13234.68343 9074.726031 7452.287304 8519.298519 7709.735416 9198.341805 9554.472863 10623.1071 14265.41959 9681.168073 14237.16416
Trimeprazine tartrate 11328.56798 12680.04017 10041.87716 14848.48265 13075.6196 12151.24266 2598.298021 761.4408201 580.6210691 248.2266773 3608.594486 1656.83171 689.2537298 243.7411012 168.935121 759.2418794 196.9423812 419.5075692 310.3719933 232.9775623 311.9639312 153.1579836 173.229737 237.2934575
N-(4-bromo-2-fluorophenyl)-2-(4-isopropylphenoxy)acetamide 6782.503849 8404.859977 7100.534983 9548.362301 7770.264751 8337.76075 5942.671563 5593.978309 6066.204083 6578.038181 7368.139443 5643.455223 31275.31344 49376.38181 44433.82252 39644.49257 38224.40372 30280.71089 30783.99095 44036.95799 30203.48991 30182.28885 30726.36992 32058.70457
2-Nitro-5-(phenylthio)aniline 48663.81447 39057.35647 73198.53418 71308.01046 61557.35611 36548.95033 158868.8555 174664.8266 140423.3742 152573.9036 204154.7422 159608.8392 100267.1713 62966.35575 99125.61705 90372.4723 70414.67081 61718.24857 15498.94861 13359.71007 16931.82786 15483.81038 13082.7661 13757.2192
8'-apo-beta-Carotenol 212.1981686 369.8052762 287.2555489 80.87464274 211.2222891 202.1886187 241.9455715 752.0228715 691.9578214 814.26064 797.183346 564.6783904 601.5552853 1127.701365 828.6506895 901.3331693 509.1372689 500.2698892 5968.14272 5454.757375 5678.100533 5689.414798 5597.345724 5830.108112
Triadimefon 184623.3103 166594.3327 154826.388 168621.5207 156798.8572 169131.3883 45724.24196 49481.03253 36832.12201 48493.40023 52528.85535 45032.77883 1440344.81 1392994.056 1498902.21 1395012.812 1356628.848 1326224.991 1828663.376 1663381.248 1831366.749 1853104.799 1639795.871 1917617.778
Ribose-5-phosphate 416.3532189 599.9031081 407.7637826 481.9281065 253.992856 204.8119 1146.184461 1093.067331 1149.741959 1068.585308 1366.426043 1523.092373 463.0987652 1713.677406 963.463325 1083.548047 957.9753963 496.9591794 899.9223631 1141.176921 900.4960551 861.8949173 461.1645481 816.0957495
Tripropylene glycol diacrylate 7631.943635 2573.535535 3127.807197 87.6545031 2266.130229 2345.264789 1908.98654 1515.14594 2212.547663 3347.093708 3016.985545 3246.15911 15875.72646 36726.22205 56608.96412 29468.07039 60694.39292 32466.33524 33560.04877 17169.02793 12109.17308 13091.41379 13960.25024 14085.68914
N-Formylmethionine 275838.9927 295192.3713 380916.298 240915.2532 247512.7465 245914.1293 235114.4502 236997.0307 357598.942 222008.8198 188402.3831 246023.2653 7566.701741 4934.614179 2548.72208 1304.66542 2536.143433 1698.356583 4292.333475 4081.785306 3192.25691 2691.970582 3327.682671 3216.880989
Oxyfluorfen 23958.26597 25344.12855 23944.71543 29971.29167 26955.13994 26788.1578 21576.72023 23574.80394 18542.78805 22514.02726 20361.64928 16695.43904 57.36053306 58.71347909 404.3209954 234.0430727 170.9993944 141.2363832 43.83220118 61.14867038 551.7688701 129.8730294 465.423412 421.8928415
Flumequine 344.8462796 484.093047 268.2985303 486.3680805 544.8773795 172.4129255 194.7249778 618.4495094 627.6607499 658.0835755 464.1437174 478.6564003 243.6000487 400.7429092 120.5407722 281.1329128 238.2988906 392.4940918 547.4269114 296.3096758 334.0222563 475.2179685 431.5132755 435.3102623
6-Hydroxycyanidin 0.646339702 0.860611339 0.473798219 6.237667957 8.812365191 0.826286009 1.073108849 1.250163758 0.513267854 0.77637733 1.340041304 4.693300351 0.786826131 1.798786713 0.742742698 1.466485178 3.31886405 0.548524019 3.643593001 1.308553258 0.401649541 1.54109003 1.206557125 3.277869156
Sodium folinate 1950.91935 912.634946 669.9994951 2274.576156 1575.899398 461.6511583 384.1159575 740.519615 1647.500183 981.0893007 1643.043511 988.8015382 42433.11439 44398.82118 46257.59511 42173.0383 42111.90515 45946.25783 6535.93019 6900.144715 7050.07008 6880.172965 4623.912605 7395.383305
Flunixin meglumine 308.3770229 924.5693245 225.8707925 108.0673414 398.4523431 593.557145 285.5825897 149.1022236 218.7294802 705.0322605 584.7255648 327.7714087 2817.373916 2122.070452 2449.030203 2630.600074 2407.776026 3436.238423 4997.361312 4196.871067 7666.448366 5551.574127 5480.784381 4708.516503
D-Xylulose 5-phosphate 21621771.01 21245326.5 22258578.57 22259051.24 22066702.83 20903226.42 30928140.38 31339061.57 29645587.26 29598907.19 33300203.64 30297417.56 1340622.085 1392913.641 1359763.417 1252149.033 1171178.108 1149547.845 567867.7883 496208.5277 561205.106 531150.985 512901.0034 566475.0403
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide 36049.05082 38371.95988 35517.79636 37534.56514 37069.45556 39229.20439 33995.5288 34439.15729 30460.70484 36021.87504 33092.70817 32975.97 87385.26828 95541.55702 112688.5885 114208.122 109062.0563 116757.3656 87646.69097 85321.25664 87584.85547 94348.74541 84614.33551 97482.61883
Sinapaldehyde 200324.9827 193005.301 189901.7574 193434.1709 180878.0389 178591.5885 149453.0292 258777.6576 136867.8182 132846.551 149098.234 136650.6973 7377.767604 10049.38806 4515.285471 12047.93616 5257.500946 1917.942302 1220.226648 1190.457932 3123.680608 3924.917313 4868.1568 128.782711
2-(1-methyl-1H-imidazol-5-yl)acetic acid 1906.81603 647.4402867 116.3313208 855.4967646 4116.50096 1055.261815 4285.872378 5209.690793 5781.228519 5241.896697 4926.260611 3965.882553 70662.40126 69152.38003 70754.65458 75238.12659 68038.95882 69492.40401 70364.81934 71182.57262 114001.398 67967.20056 114483.6745 72041.23808
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol 1561.91034 1413.488479 1803.676159 1881.66452 1890.631688 2554.157408 2501.155044 2037.413871 2538.972472 2382.220253 2106.811362 3006.196272 282.9673474 525.7820069 222.4054329 960.7951651 284.3313935 244.4731841 268.838996 219.2830546 398.5942132 343.25538 381.9083841 222.999463
Trilobatin 97258.23234 90655.98027 9649.102061 94830.99363 92011.02855 86977.292 197683.2277 199611.2076 193954.9797 187639.2117 201538.9169 195523.8248 377581.0449 373236.3723 374987.4851 390544.9618 395682.7546 406625.1052 81365.9101 70730.26294 74438.47549 79046.56657 78020.90909 80016.4897
4-Oxo-4-(pyridin-3-yl)butanoic acid 2228.824908 3452.717966 1435.556666 3142.198931 2445.023689 1988.380759 127.3458084 477.7146539 314.8201853 1089.80831 537.2014557 796.845281 1000.50144 32409.52518 34777.93486 33411.93202 29723.26498 33084.16047 5362.57071 9854.685189 4449.681793 7250.901187 4213.787789 9013.4307
Bezafibrate 20921.53787 33907.24029 3168.086089 20640.45327 20059.59629 19750.86161 24249.02324 24042.96861 24756.0888 24194.92494 25192.54988 23488.52724 227231.9739 220200.5081 212022.7403 229583.9335 219864.6903 227041.7032 107268.1686 108325.7255 110035.0114 112626.6679 114462.673 113920.8219
D-Tagatose 56438.38348 54754.47362 60709.29645 59075.65506 58709.41037 56421.23982 40628.74492 36304.64222 36216.51712 36807.08367 37077.49368 39660.72505 141698.0694 144717.9443 145940.4935 137368.9866 137996.268 144032.3981 101422.9401 95385.72121 102489.6021 99392.37436 102027.0954 99655.26409
Bleekerine 2489.160131 2005.815036 1082.881237 2379.047986 2114.626246 2093.646212 80849.35435 81997.00863 80000.66296 81255.88124 500.1647383 81074.90263 60401.19808 61928.52985 61704.93876 64325.74201 59951.91387 61627.14167 46167.92 44795.81713 47604.45326 46926.66595 45994.73955 47498.25667
Dihydrophaseic acid 5495.186056 6493.195523 5727.377186 6019.42268 4704.93529 5995.279311 4137.854685 4475.139108 4953.134539 4648.237468 5139.433996 4339.413058 71597.48442 68164.92639 68906.79486 71353.19253 67591.67672 69092.36736 38199.24109 36627.35159 37471.83453 38551.80016 37270.33489 40253.61782
Proanthocyanidin A2 1669688.76 1644740.557 1636455.723 1640791.835 1642914.122 1941100.432 1745374.145 1771805.616 1763889.06 1945991.379 1763389.35 1971552.731 147861.1731 148864.9662 140025.4082 222722.9215 211533.0121 143124.9434 56237.85099 42455.10135 43344.97761 56404.83141 60090.09099 48226.62193
Aurasperone B 75875.2964 8264.873345 7182.843734 8346.373923 1313.568344 1221.891234 80849.35435 81997.00863 80000.66296 81255.88124 1609.672373 707.6545455 60401.19808 61928.52985 61704.93876 64325.74201 59951.91387 61627.14167 46167.92 44795.81713 47604.45326 46926.66595 45994.73955 47498.25667
Aurasperone C 1665.249755 1625.155741 1545.614463 1722.66893 1261.885255 1130.813559 249.8672588 263.6515496 280.2376486 81.70157896 112.3525188 377.2909651 227.6181549 58.27734079 27.17763664 99.18399734 205.4300388 83.8303619 79.73938344 171.0224297 63.37723938 206.2135876 133.7030292 92.2916581
D-Ribulose 5-phosphate 644.9769563 295.5335208 1430.72786 812.9127585 285.1060587 165.1795816 846.7519588 848.1947576 510.8831607 31.67817341 700.4702902 113.5297203 15727.08688 9946.061291 13739.18746 12725.6467 16732.98559 10986.58259 7384.82218 10778.64947 9963.165426 11816.81887 10848.9896 12581.89165
(-)-Steganacin 434322.5192 466715.3241 430034.729 431221.3325 395923.7401 390517.174 252750.8628 274618.122 272659.5301 252719.6826 344019.715 276952.1439 10042.2111 8596.698677 8511.245398 10305.39275 7658.624895 7583.659592 4812.528819 3469.478069 3350.863537 3953.130035 3433.469025 3779.468777
D-Galactose 9623.43173 8812.166624 9301.575955 10088.15902 8799.012799 6362.654509 10529.72051 8695.350361 9184.839156 9483.926577 9813.209327 10284.69241 4099.804496 4427.521138 5239.788687 3997.861014 4280.767739 3732.415905 2761.546897 3772.745882 3131.871233 3276.708904 3490.280721 3582.904927
3,5-Dimethoxy-1,6-dihydroxyxanthone 10467.49992 7821.199469 22015.76089 21342.10149 22700.60091 10682.9408 6595.653236 14850.93806 13463.52767 11144.95714 11547.97648 5693.129951 42732.33682 36344.9235 30325.24685 29192.49663 17879.0685 28693.94653 34286.10066 8597.517229 35341.71081 43104.6958 68663.8204 28224.56093
3'-Fucosyllactose 4323.682773 3752.237446 4843.809471 3108.562075 4922.550456 3596.353298 5216.812047 6717.897709 6713.733364 6605.353744 5767.445556 4239.077675 27456.26016 23721.8779 28148.65803 24057.48518 19665.68275 21751.90586 52241.08535 49737.5375 54322.92476 56053.03555 49327.85831 55103.42705
Resorcinolnaphthalein 1510.310539 436.4649959 802.6369706 772.7309313 800.3810839 692.0161544 452.9591362 210.404611 356.0024389 205.6560494 97.13501029 493.601518 3814.459869 14768.89833 18331.6508 23680.37061 17509.24502 18749.46319 3387.822608 1718.710585 4282.609917 5321.715314 2774.474559 5388.358452
Bussein B 1063.351882 991.5049292 879.2992432 834.5311666 550.7926837 1108.034788 426.1278234 789.6427011 457.3709705 608.1944753 682.1085784 607.5608846 11745.3516 9033.182118 11070.74902 8220.462452 8208.404643 8040.064703 13643.93977 7756.726098 10555.39127 14673.34027 12842.02193 12140.05002
Ile-Val 1598.281832 1747.302255 1358.36532 1672.636935 1030.002458 1341.945874 802.0507229 1035.408281 943.5422397 945.6332712 1034.174181 1014.231009 2254.02443 2489.407111 2081.607225 2650.153547 2251.449022 2244.382062 435.9045633 794.4700587 883.0136572 1021.430577 800.5152892 1010.114041
Bromopride 2554.199012 2923.874157 2805.288006 2833.491028 2428.550648 2974.559927 186.995346 17.77524535 18.13807647 229.6666361 14.41123282 165.7882497 407.8093691 562.4843365 78.64467295 606.4820609 467.2655419 261.2342922 44.98234078 282.2746733 97.27532881 91.216936 127.8441281 18.21603968
Met-Ile 2159666.843 3441794.902 1895693.281 1926788.821 5180094.14 1766443.228 2862173.663 1584812.459 1430430.872 1475869.383 5019661.843 1359976.502 7804.823341 5800.889389 4646.178127 3842.162887 3297.826479 2800.890515 2557.913666 2616.290923 2180.209309 1832.247741 1828.321333 1585.816077
Met-Thr 18333.63733 9575.653473 17982.27696 18853.51138 17484.43837 18643.60513 26131.44835 25509.08434 26407.19524 35195.96181 27862.27675 28863.53785 6556.01629 7327.534469 5749.463294 1246.299279 7407.818726 2366.477775 22088.64203 87132.23508 34013.00964 32877.32279 33797.01706 35952.28797
4-(Methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione 10960.81357 9655.314051 12234.27363 11729.00605 11437.06873 12710.8476 7143.97307 6888.774875 6873.773134 6092.702052 6058.45392 6387.351296 59326.64469 55040.82637 57036.88906 59151.48757 80228.0204 59178.61509 60147.30082 59222.27034 57472.68612 60966.88431 57297.64131 64570.39286
4,4'-Thiobis-2-butanone 426.749438 446.8500482 111.7554023 606.4533599 499.6774952 248.6598647 144.4822981 250.9982993 41.91874417 174.3745799 78.85538085 102.8218029 2286.212305 3747.444443 1943.12925 3470.775083 3373.51029 2325.639458 7585.430288 5441.050526 6262.061008 7247.288995 6282.547305 6862.025973
Doxefazepam 967.6507347 655.6841644 1808.310841 2776.665714 1199.039158 2896.682235 1787.610567 917.6177301 1700.294076 767.7675542 279.9750225 1100.6555 5809.725132 4662.393299 6422.091004 6448.552943 5527.803754 5707.500598 6028.167126 6636.603147 7768.22409 5651.20507 3433.318621 6828.733393
Biotin sulfone 4566.772418 1300.718389 644.5759687 850.3069444 941.214585 669.272759 9886.132452 6952.796717 7847.977947 9605.697089 41301.46704 6132.21947 221150.6586 181501.9979 186677.6872 215529.5448 291226.9184 211396.3174 97403.84584 92368.57988 100715.6406 96629.02865 97115.16288 101692.979
4,4,4-Trifluorobutyric Acid 51016.89092 66252.1304 87295.69146 86558.12853 91049.61034 40915.63751 58496.72224 85639.07308 254432.7406 101089.8939 59405.69268 58765.39445 121387.6706 575406.4315 92652.03653 94357.89696 84405.50984 74577.44576 255861.0717 91927.09291 111198.9024 108844.9361 122513.6212 93656.99973
15-Keto Travoprost 58202.9458 53156.30832 54862.33536 51816.37891 48487.37431 53578.31185 50517.64074 44669.2993 40159.45821 49129.40959 51251.30787 51301.79652 513.1072626 6036.257806 3522.431132 4027.856643 4632.248544 3981.967009 1339.006548 270.6110643 1029.911187 346.5318626 2316.709039 49.61209268
Bursehernin 5912.771756 159.6386102 151.5062432 8000.538331 8450.621336 137.5221326 7358.259853 6354.223386 7504.54284 5824.181744 9862.640701 6646.760711 85103.54063 80380.82257 83159.6307 79024.56395 83184.30007 78607.90538 67940.0176 66253.92938 69404.29168 65359.53405 66474.88899 68001.47486
Z-Pyr-ONp 1063.196613 2596.988193 1108.318644 1716.455499 727.9577995 667.2502716 751.5402217 244.7347748 150.6635309 734.712044 237.3407128 218.2210305 41729.38668 46649.66844 40635.94322 50603.14347 48754.26016 35650.38956 11518.42921 9120.915582 17380.456 19380.07006 15605.37985 15194.16001
Glycitin 237439.3684 176889.8614 216582.0843 237841.461 209787.4229 218508.6189 247877.4447 251115.2155 891127.8478 249127.9889 929270.7858 247092.2644 6532.776608 4559.036534 30022.01462 32890.4291 4921.722991 414.3206325 6797.774191 6297.397454 7893.33954 7382.94114 7041.050954 24.81030305
Nitroxoline 220988.0002 226475.5031 222126.4632 233982.9851 225105.099 231719.774 211954.1832 226344.8683 227165.3226 222962.3695 230743.3247 228758.3358 19764.79011 18318.55724 16300.90682 16312.92809 16262.2498 16359.5674 28933.05573 30541.45934 31797.35779 32436.8704 34006.65511 34643.48729
Syringetin-3-o-glucoside 12472352.62 12353347.08 12233406 12281717.88 11875986.22 11598915.86 14700004.03 15027227.44 14418970.76 14560773.89 15759834.45 14389539.05 5263499.805 4707923.034 4884094.966 5168447.589 4717497.907 4866326.155 1685839.287 1575468.765 1735996.385 1664358.659 1650074.328 1796579.589
1,4-Dithiane-2,5-diol 79.17739401 1268.8868 282.4529498 117.3611909 1729.656769 1445.380806 340.8532472 1125.807499 303.7874197 112.0259217 734.5824174 249.7892327 29548.94922 28709.80861 31074.34426 28624.25208 32388.05769 28993.94625 25138.89936 23159.84548 24605.61725 25157.29757 25243.30615 28206.47826
4-Hydroxy-3-prenylbenzoic acid glucoside 3640.746334 1379.885803 2285.197106 313.9878096 237.0318892 2824.697556 81.97213828 2699.309998 2467.28365 2023.289355 133.5447238 595.9778407 37447.47978 32717.64036 36521.02496 37041.58186 32090.22755 34500.16498 35105.92702 31289.64221 36108.16774 31468.34521 34011.58565 34927.85495
Fluticasone furoate 67529.87625 81740.31621 82239.85353 89292.79671 79081.86994 74559.70213 133786.0821 127326.0148 124820.3151 114540.9574 122317.2166 122950.012 46459.59451 45621.4794 54015.91232 45291.88456 41912.73377 55407.38762 7.625516024 32288.29742 31004.30977 30387.97697 39371.6036 30139.51342
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate 2912.655361 1948.804134 95.92660632 1963.931258 2387.012669 2311.042264 2077.575245 2362.232943 2044.991359 130.9144729 554.3764816 136.0836834 7705.103541 34013.77179 42493.21669 53351.81026 52841.73624 52655.5016 6216.470554 5393.98404 6289.49211 5687.083502 6073.3538 366.8933996
4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline 55157.40252 161442.0874 145612.8921 122657.3009 149092.8634 146827.2755 136237.4175 113138.4068 113655.5921 69283.25037 128343.0814 68312.76022 334623.1231 285615.2775 192381.9094 295316.5046 257890.0421 161470.0154 551205.1024 594173.2237 575587.9992 569915.3804 550562.6512 540894.7912
l-Alanyl-l-glutamine 277310.2727 170931.9533 130760.7393 161881.8568 18675.74266 212818.9185 75441.86619 75925.01839 82677.59347 78424.81047 79045.52149 79375.7836 6416.296862 5323.283149 2018.157024 8607.724346 2251.392495 4318.478645 6740.958334 484.6523627 7935.807421 6703.632504 7595.404653 6368.984149
Cupressuflavone 30743.37968 28991.87619 27260.40476 25824.51942 26321.22392 25820.3788 49918.82474 43737.5284 48104.65561 47272.40409 49482.36331 50410.86623 101.7701918 48.62528661 3677.042174 3957.577361 17.9473622 108.3067817 262.2769786 338.6598979 189.570034 253.9683211 90.27358828 88.20706037
Eleutheroside E 608.9608287 768.2392998 691.1925612 1435.354616 1809.287232 680.8211917 689.8966663 579.5124158 212.6175724 754.5331586 255.5849669 250.0283151 17331.63954 16675.42809 16814.19136 17599.30907 17193.40621 17612.84215 19644.25798 17933.29668 21503.9871 19386.43078 17956.52249 19473.70559
Dexamethazone metasulfobenzoate sodium 54443.50752 49485.60876 50961.98133 100505.8517 44901.71646 44865.14155 22732.93722 22500.6054 24152.21247 22406.34119 22890.12896 24358.38415 863.6343717 225.8226455 205.6347308 515.2402169 445.0110493 861.615005 1204.172397 152.1338835 1157.373333 1123.720434 469.2373678 629.5927516
Gal4Me(b1-4)Gal(b)-O-Me 1305.102267 1623.698592 2471.300701 2001.233994 2172.018681 1222.212284 6015.667071 3871.257621 4807.974977 5744.137301 2308.768636 3642.153105 10056.17994 5359.305462 9463.458365 10796.14376 7750.244574 9724.011966 12226.4026 9405.554199 11612.90279 10722.26466 10204.03055 12673.30163
5-tert-Butyl-1,3,4-thiadiazol-2-amine 1116.952627 965.2990981 437.0214323 907.6533009 887.4724151 741.7094932 662.5513424 274.0394976 503.3645407 266.6869948 182.7373769 278.305008 211.224488 158.9202771 108.6305282 64.45641919 158.4504418 129.185834 260.4863147 204.2788655 187.0923224 290.9953928 315.8898127 126.6257104
alpha-Glutamylaspartic acid 31902.74454 30824.87043 30924.08302 30719.94951 29400.16318 29212.30604 26029.00688 26577.50573 24424.55253 26283.66482 33093.88658 25766.10097 155.213941 34.56515154 76.13078313 1595.233705 71.97417964 1210.04371 116.4929842 29.53342456 86.92356977 91.88282 49.00386463 34.56516356
5'-Fluoro-2'-hydroxy-4-methoxychalcone 5257.41062 4488.497253 4471.53892 3781.70768 4850.864539 4184.814932 7375.999222 6556.739722 7676.017169 6942.973478 7110.758735 7497.525997 771.5853679 328.790776 325.1112747 314.3515764 199.1503593 298.5389302 627.0667759 689.8094536 43.37461483 551.5209341 41.80338567 42.76584594
9-Methoxycamptothecin 29857.77203 29792.44024 30507.1578 27941.57643 19910.07791 23802.52484 59433.94526 16363.97307 13794.54746 16090.28821 16450.2407 51234.74369 4804.202161 4962.053156 151.8302949 4072.866612 5202.478084 4465.437076 2239.910716 57.26989348 2240.919865 2206.546115 2202.330598 58.6015804
[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate 1102.615203 1105.90621 804.2537928 490.0294343 484.4749009 465.083234 610.7444436 378.8713904 426.0806299 533.3201179 424.7649356 424.3747079 6824.995498 6503.634254 6225.130121 7257.196627 8289.277921 4981.819653 2042.699572 2178.209028 2139.510959 2005.627642 1792.379947 2053.179162
CID 91895359 12187.67502 11810.1017 11130.9982 13770.05753 12941.24706 13708.20518 8921.045975 3792.382253 6498.521034 3680.858649 3898.92617 6519.366175 1078.57852 4448.432576 6549.979872 2568.205372 1201.245927 585.4445347 14770.21569 13441.75893 13700.8528 16536.74143 12103.25125 1580.978036
Fludiazepam 36113.43731 43349.40374 23055.33808 46939.26158 41433.51314 45346.91732 27420.91891 20475.32994 29158.65227 26136.49921 30739.64385 29307.18709 41017.34532 49222.19902 54676.13022 45645.76574 49109.05219 55882.76587 1019.002282 14447.07053 12311.91571 11855.76965 454.2826254 38.22241914
Derricidin 227.3090256 252.5189774 274.6164513 491.3428368 351.5465794 264.8063488 231.8581875 228.9645738 199.5026208 174.7846823 323.7320696 314.2082694 156.5368505 141.5810876 224.2389653 274.1871643 400.1467282 28.24964925 4991.456478 3573.551197 3559.254557 2712.803498 3689.728992 3164.506476
Eriodictyol 7-O-glucoside 3037.617252 5282.336693 2258.034645 2572.744941 3093.316003 4716.251786 10224.9598 9977.41197 10372.89982 15776.02009 16907.22714 20362.603 123232.3189 117530.8552 125918.0459 121673.0349 96619.33489 101696.8304 2443.474828 8719.69007 5140.813286 985.4190334 584.44812 1520.044712
beta-D-Glucose pentaacetate 127.0662448 206.7837863 587.743662 457.2634115 725.4097128 251.7227184 780.5092496 342.8454185 671.7562802 602.6405815 914.8402463 305.3348024 8864.203114 8092.103736 8752.192634 9044.161703 6785.364471 6311.170625 2421.304793 1761.853237 868.5401878 1549.030459 2404.900867 2162.097079
Mucronine B 52.78911479 28.10853113 43.13278957 81.04634962 71.19407069 102.5567801 89.64849118 85.42950697 168.6252848 126.1531026 100.6961313 204.2730648 1703.29024 1160.702307 1804.241803 482.3641135 472.0178089 1567.817507 1360.828306 828.4295018 1578.890455 877.9104517 1079.683169 2078.855716
Lapatinib 63324.28234 66741.24879 69725.42501 64847.58878 64481.02142 66864.68648 26900.40458 27126.83997 26630.65014 28600.07753 27987.67891 25979.26778 4608.036365 4678.639509 2327.165755 4771.306539 2359.736045 146.7113605 2039.368798 1489.945485 1922.341162 1559.704265 1039.035107 635.0420189
Lapatinib Ditosylate 51513.01611 40606.41693 39042.88071 26933.21211 38450.96511 49562.97157 27719.04864 26628.5447 26624.35362 5230.569308 17017.36376 23124.43029 1323.787062 1036.383826 1063.547196 2038.180959 989.7421585 238.6638042 203.659537 479.422077 150.1874518 1141.445558 379.3504987 1276.03981
Flunixin 43241.91702 43423.51344 44117.76726 44115.4241 39323.95997 49890.6923 36420.16841 33522.5878 33326.95382 40521.3792 43538.52878 35740.87435 11239.07409 10611.17636 10425.46379 9998.625825 10019.13747 8907.244113 10183.55547 8435.284442 9826.699175 9486.076081 8918.890305 12464.281
Thiaburimamide 13811.0815 14523.87449 18707.76514 17917.79329 16271.55022 13701.82312 15230.68394 19425.74711 12486.18937 14796.14633 15473.60128 17588.34 9266.497609 2719.263795 1388.235077 2696.645768 1376.694523 4114.593261 4216.344256 4164.011253 4899.592329 2061.284225 1093.386529 5477.099463
Brilliant Blue FCF 17943.31222 8775.032782 7953.246613 17204.587 15987.33349 18223.64737 18551.10578 16847.90332 16615.5904 17557.6619 18855.85919 17134.85502 1321.650938 730.6521419 353.112022 341.026371 102.9909771 871.439305 613.3820946 190.4795926 642.1066145 615.5203634 802.9125863 275.0811564
N-(4-iodophenyl)-3-oxobutanamide 10751.93528 9417.477393 8955.446973 8572.357556 9381.900037 7946.888749 1240.958527 1460.277591 1681.43317 2273.233969 1968.490269 1611.088437 5146.676569 4462.052917 2816.920769 3591.640853 2759.378737 3413.668241 1320.832124 1026.19425 1046.355485 1552.411399 948.9345022 1825.706362
Aloenin 28296.13552 24631.0795 24375.41965 24840.2466 26588.64055 24877.90693 27167.63577 25002.07106 29413.64524 24215.08624 27973.23339 25512.25068 12739.55256 13844.10916 13075.39474 14443.101 13898.39334 12827.14074 11856.31235 11540.46564 8581.088408 9340.040682 7160.826688 14360.65505
(3r,11Bs)-9-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid 309.4146668 150.618954 218.3766241 126.4529907 11.96501985 39.41406027 542.765603 633.0915039 251.3814468 655.2604063 1650.932636 376.7805004 2158.149987 2252.47382 1934.338513 2364.962979 2308.650132 2917.121735 3256.225648 3632.419939 3422.715252 3751.952706 2832.535151 4082.352381
17-phenyl trinor Prostaglandin A2 4547.028221 5135.004454 4410.770102 5704.859093 4408.265491 4245.013319 7664.118839 7415.365876 7618.129291 7891.922528 8235.187887 8385.814695 22.89580396 929.7657232 775.7163441 1108.976395 858.3646282 853.8526361 1539.084958 1225.278373 1196.98118 1412.090308 1323.851525 1080.216811
Phrymarolin I 509645.7639 492675.1184 510353.2978 480346.2505 488038.9218 505624.8841 495173.6173 491763.4013 517586.1119 511475.5662 523280.4586 513509.8336 637923.8296 664075.9943 628309.8725 666009.6156 653674.0709 621088.7067 1069353.283 984906.9231 1105034.577 1053038.633 1014232.924 1120841.523
Desoximetasone 619.9672481 432.1102257 153.9445718 292.4069424 354.3715081 363.5345864 1754.60229 1360.470565 1137.248423 1695.921298 1848.844943 1778.221516 14271.49677 12621.14941 13397.43995 11619.6389 13591.00966 12629.66116 15838.82286 13191.80399 14980.03282 15074.49478 15059.3331 18601.86418
trans-Sulindac 17199.82652 18405.7403 17498.44108 19353.52842 17672.4612 17534.49113 19037.32454 18177.65665 19901.83444 17412.38782 17034.194 16397.79595 4195.636077 2664.264318 3142.791102 3358.01194 4917.484522 3981.311462 1435.335831 1662.266991 2556.209545 1810.22239 1739.667079 3750.336616
Piperacetazine 10810.7667 12556.61589 12567.45683 12597.67676 13186.04043 12579.13806 9325.084133 9963.682352 9963.88486 12309.50933 11070.24953 12653.81909 2340.545526 1068.036471 1675.461773 718.036224 948.6231314 4458.324021 1697.475857 2649.783772 5372.33641 1790.045431 3683.32704 2281.898269
S-Acetyl dihydroasparagusic acid 6998.525711 6609.906406 6609.248294 6158.846329 5743.769039 6353.347184 2525.095565 2997.663738 3912.545055 3211.313345 3939.98847 2102.802658 211.5192869 275.1487352 69.96613677 272.7141355 375.3804756 70.37790624 25.00257186 273.6071868 55.56150887 188.5568196 13.89036724 195.0179157
Oglufanide 485.1747664 390.0509828 439.744363 537.8373721 531.8114626 38.07567242 464.6541799 645.0913793 1227.972193 190.5796096 193.088704 1506.294296 55024.01522 53857.70971 52512.11437 57144.73172 51432.55133 54093.37043 32107.18465 32504.17998 34725.59 31540.96832 30289.84881 32443.75439
2-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 4769.409346 13175.11634 13940.35604 6852.291161 13176.95093 15328.41924 20599.22633 21345.34658 46983.28829 66798.2531 75968.55177 72033.52415 222279.9154 219786.983 217256.4665 231603.5624 230704.866 223836.3941 47549.73894 41258.3368 44547.01572 25552.08371 26538.08282 47385.71134
Saracatinib 1768.60967 1477.466098 1731.007074 1417.454823 1163.210687 1337.018119 8509.049032 8098.538324 8330.629937 8110.063959 8123.926604 8351.297058 162.8093499 607.2864651 694.6125644 200.4105822 410.3928794 144.9149796 225.2842897 262.8598846 377.1471994 77.85776821 273.2792361 246.4090608
Asp-Gly 7039.084791 6850.844572 6708.973492 6365.399076 6256.598401 6043.692205 659.7357966 648.4833371 737.8552319 475.6246162 411.6505081 322.6328262 8335.563197 10505.99159 7282.787805 9304.912608 12525.09332 11655.17155 5392.589947 5026.74256 5573.159295 6040.606892 5413.653206 5726.47198
Nepodin 1710917.187 1520140.154 1482287.479 1469086.682 1402204.099 1497011.616 1156213.523 1260155.033 1159143.081 1072498.784 1051252.693 1017918.208 17550.42931 3811.653746 24172.13936 433.3926686 17309.5651 926.6062975 972.3540284 14834.43784 5271.233473 953.8180861 2868.874919 1971.753622
4H-1-Benzopyran-4-one, 5-hydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-, (+)- 1260.621533 1204.789287 2773.099849 600.2322208 1344.965259 372.3653647 14497.18035 15353.18963 15903.2175 17703.05629 15419.54085 7501.386378 2756.559063 2746.537258 2800.328924 1561.211963 2721.166466 334.8140647 1890.337956 361.7514584 2707.422083 1911.765921 983.0444283 1742.191419
Tetrafluorosuccinic acid 1833.988441 608.6580978 942.1751914 365.3357592 1154.528193 2388.140461 4442.904195 1562.553616 407.9561882 4580.807212 4479.633943 4970.013742 908.1248409 950.9336592 895.9666403 1932.442388 1462.605303 274.4881462 5738.902881 5261.364291 5374.854161 5215.503729 174.7347573 3541.647785
Val-Arg 2320.139666 2088.439474 1176.924412 2775.286809 1518.316563 1612.639808 347.0837098 233.5052508 432.3617399 1782.413131 446.618455 83.56596308 8065.388985 8807.930807 7868.385679 8556.434393 8281.081163 7873.570009 1450.380437 1734.660583 1351.995076 1977.512048 1983.560272 2440.305546
Maraviroc 4459.466655 2969.555708 2453.800074 3282.648402 1792.652043 2915.131833 2219.820681 3347.539788 2334.67007 3393.415813 4830.188451 3756.396721 8528.262005 9849.326084 8957.923693 9450.23076 9869.63509 9816.413115 28864.844 25058.97958 26006.85239 25755.6279 27901.18637 23616.55049
Estradiol propionate 14698.68083 12252.7959 12605.46722 14196.21824 13184.3726 13373.62272 16759.64361 14263.1696 14082.51727 15275.77042 16819.42201 17163.99623 1646.189688 985.1230228 2878.849808 1860.090174 3931.674001 768.2211507 1573.024991 2404.84908 2665.316917 3366.100106 2470.223408 1859.798427
2,3-Dihydro-2-(3,4-dihydroxyphenyl)-3,5-bis(3,4,5-trihydroxybenzoyloxy)-4H-1-benzopyran-7-ol 87766.38586 78282.88817 83897.36799 96546.33266 71196.60709 85080.35486 93676.08282 100715.5122 98380.01515 97758.54537 100390.2734 92034.16703 478.8067648 7235.431398 5486.619527 6098.802901 5217.961178 10429.25389 1144.40352 830.4715782 132.2098763 1787.469698 2121.753439 2701.929941
Mandipropamid 538436.1905 514616.1683 532968.7069 708668.7745 518720.8014 515757.3398 642622.9625 625097.927 808594.2271 628902.4121 613532.9997 630190.9825 99827.52965 172157.2502 153079.4583 104080.3549 56014.80585 99590.45854 43516.43746 38048.93597 16108.1419 66769.16178 75167.8964 15624.10608
N-((3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-N-phenylacetamide 66822.20756 62839.47514 16709.99077 33352.92564 39220.77999 78462.0886 51221.26484 59577.08206 78320.75802 72301.25311 70519.3033 69369.19351 76334.49102 89081.45165 95223.19831 91590.87732 56996.30012 92664.6491 104212.9024 120974.0192 125421.1635 122802.5942 120860.3253 127977.5907
S-(5-methyl-1,3,4-thiadiazol-2-yl) 2-carbazol-9-ylethanethioate 3899.67304 5577.177042 6152.380057 3063.068019 5761.271784 5301.821146 13509.85742 11438.25803 12665.30953 13368.49499 9462.470313 14658.02973 20688.75368 20489.58426 18079.7716 18093.45716 21132.98489 18957.9604 24716.19606 24461.91446 23983.93964 48030.59635 22946.24398 24237.60948
Paratensiol 4403.563572 4792.038148 4690.35507 4740.630434 4617.199315 4313.243253 683.3469537 1023.072942 747.1066356 995.6270257 641.7602951 403.3333631 11.27429549 35.36460948 4.517359666 10.41797763 8.505845272 233.6427532 20.17666718 73.73966555 4.747423344 133.5094306 4.130169693 2.505597821
CID 119470 4745.471852 5048.306848 6492.834049 6379.711934 4717.838844 5479.059531 6387.085238 5310.851005 5510.51446 5579.019747 5803.709838 6121.282544 29766.62465 27261.02213 26029.81262 26704.42652 27505.71439 28967.43097 61905.06777 51492.41556 55297.70267 50313.07768 64274.52823 54645.61575
2',4-Dihydroxy-4',6'-dimethoxychalcone 19586.34133 21355.04891 18936.88058 21729.61157 23211.517 22088.53817 30089.46131 32029.60634 31667.32328 30705.52983 32696.1035 29785.85953 13852.24391 14593.6145 10797.08782 19903.19967 15352.59613 16896.23051 4556.909289 4833.197104 5683.026752 2233.719266 2204.50699 6502.557807
FFA(16:1) 5353.258849 5561.733041 5240.401717 5758.72286 5039.440299 4407.397174 8946.375763 7478.442682 10312.84344 9440.069972 9958.091316 9593.238941 10669.27135 14662.39162 12687.68067 13105.99002 13166.14924 10974.80623 21197.03507 17952.07298 25934.08144 20483.80875 20480.17671 15540.74296
Citrulline 838.8474181 1151.223531 1004.489532 1881.499 385.6350297 1281.364925 267.516509 329.6179534 491.3790988 547.2409333 458.3343025 2930.906056 9274.343421 10180.01937 11101.29044 10676.47157 10880.16164 9652.849192 35827.20271 33703.59384 36502.07834 34872.29059 36191.61834 36139.53681
2-Oxoarginine 4347.067038 4989.525289 4398.892242 4939.524604 4484.77013 4313.83728 3152.136211 4024.469742 2817.561468 2801.820268 3765.978664 3586.460959 7985.581139 7711.499897 7528.507067 8644.003315 7304.251506 7926.17311 2094.244659 1616.464208 1883.957916 1857.142308 1986.592396 1973.244317
alpha-Hydroxytriazolam 25142.10355 24718.60315 24882.55454 24925.75553 24273.73851 25391.50668 40524.59792 38553.26955 41449.12257 40825.29136 45631.99236 42741.90377 21.36982652 2122.730329 1952.151842 1072.001605 1817.270025 2080.19815 1665.395223 997.2937066 18.7989511 6.877683035 1134.575928 1051.861875
Oroxylin A glucoronide 165450.9263 162952.9983 150456.3722 141431.0222 151414.5862 149257.8232 113795.2792 114340.7718 116007.4057 107104.7272 94346.32793 105180.2864 146084.7519 147757.1428 138448.7341 126599.4099 148524.0467 141529.9371 71936.55395 67446.10681 71367.69313 77698.51191 69585.90853 75615.46864
4-(4-Chlorobenzyl)piperidine 1888.111541 2564.052332 1837.32742 1687.748102 2363.066773 956.3821927 8867.350139 7277.122808 15062.03568 10441.55519 15236.5688 11050.61746 62378.89234 56219.43359 95304.53614 55705.90874 54820.37885 54443.18547 52472.56809 50880.91408 55262.85865 54073.9704 52356.55612 62326.60796
Galactinol 100857.3649 98198.61802 95794.28504 77788.42051 53942.5303 95499.52019 67822.72999 61850.27873 67146.05481 59277.05365 67914.84876 68776.84501 1347.395068 262.150407 734.174369 335.192765 356.7028112 325.1857249 1910.585324 332.6889222 1269.229661 424.242048 50.83874792 61.58285245
Glycerol 1-propanoate diacetate 22573.62552 21674.95774 34839.22218 77191.70592 68186.95983 22051.98529 28370.80676 14052.64033 26823.20604 6793.35297 26381.37224 25289.92639 264735.9636 328698.0268 349826.7657 393172.6379 452969.9339 297990.9999 118750.5147 338803.8788 367127.0294 354161.3404 372942.9533 355054.8579
Cycloheterophyllin 135.0098824 340.7056411 156.1632693 123.8201973 817.8302894 206.3432996 420.608861 177.2776291 319.5412399 356.4240314 207.7466536 282.2538321 1205.621098 1507.663555 2725.649848 2097.144229 2338.805837 1765.879594 7966.90398 10021.53728 7036.718298 5797.180056 7122.604694 6906.069412
Pyrasulfotole 6009.767912 5828.282596 4588.648967 4766.645598 4432.508764 4464.61968 3244.980657 4532.431904 4577.935106 4094.460525 3244.67723 2995.683755 4026.015101 4080.824233 4077.537327 3582.358805 3266.357076 3772.204486 1440.589435 2491.452208 2804.773103 2785.54365 3283.130692 3396.596554
Desmethylalborixin 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 2631.044841 2643.256762 2498.668544 614.4884965 1332.941559 2246.813369 5444.081733 5117.695677 7155.680878 3997.68806 6417.449084 5576.539025
Thymidine-5'-phosphate 730.846413 8184.33655 614.4616659 153.1160064 2798.309346 1711.406439 7657.154079 3664.522345 3711.517367 2473.884912 8213.891095 11990.77795 10605.60266 12180.95691 9052.422653 14653.70296 13991.24376 13634.21347 1409.856062 2448.678137 4619.777976 2732.078945 2916.50347 1801.102003
Methyl 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate 3472.662364 3754.662286 3587.423474 3890.153822 2910.266371 3253.636245 1320.067456 1318.87526 1091.827444 1907.799167 1471.462543 1040.081744 452.9148405 296.7922412 149.4281197 11.22904341 128.700865 229.5037908 103.0492492 150.9417279 3.56891793 126.599927 104.8216077 109.2526969
lividomycin A 825292.4951 825823.9579 795169.4539 812198.9509 766093.3596 796916.1936 879394.8274 891877.842 870159.1915 883816.8325 928528.4642 881848.3991 656981.3607 673594.0859 6092.889336 6785.646673 652094.5148 670315.899 204249.3989 215092.8044 213035.8471 200191.2117 203971.1529 204651.3624
Monoglyceride citrate 7513.141928 11069.12132 5454.210967 17937.93353 4183.400355 10967.58665 18182.36818 16126.47218 42669.59493 24408.95307 21844.68657 35680.16705 61428.96393 65888.65024 61193.67998 67139.33645 61740.74675 67261.21995 61700.79866 60719.00765 62130.63454 61625.98963 66065.77083 66966.51203
N-Butylbenzenesulfonamide 2148.520517 1887.06066 1884.683595 2052.300924 1833.929639 1820.040496 2906.648194 2975.889701 1968.783048 3314.719402 2833.450209 4187.991837 228.3643815 84.11193165 206.1171405 222.5821022 39.81302995 178.247726 138.1419016 94.20525787 38.69155661 209.2952786 143.2254342 247.5697488
Bucladesine 2202.507865 1994.450466 2030.64303 1956.015623 2048.935393 1836.475536 65.22916329 131.6149856 105.8307866 115.2184503 101.4185799 60.09179331 80.06757803 48.87062062 45.51099385 155.6708274 48.97987715 39.60855185 81.84657494 1.904595698 165.1482036 26.5207449 199.3103998 201.1849787
Pterin H B2 21959.86787 19057.00081 20803.24907 23224.38832 21129.75105 53109.29603 20400.84094 23511.47728 22121.99892 20297.7481 57511.30168 22316.74612 1057.655496 2265.615391 2223.509513 1687.737629 2152.078906 1461.325458 1951.464203 1526.71895 1636.538849 1974.80734 855.0198321 1590.893154
UDP-alpha-D-xylose 52.20029886 891.2493362 719.0594724 694.4672721 956.5489857 558.9350185 118.937226 90.51819651 1080.509939 432.1394594 224.8629424 403.2581535 2863.344956 4655.164168 5112.856681 4628.995017 3221.039951 4915.212122 15632.51053 15979.88738 18853.25234 16428.93305 16200.37659 17168.62237
Rhamnose 1139960.716 1154552.198 1149352.337 1086749.726 1109822.017 1106408.155 1004326.56 970338.7445 993703.1581 967789.2787 980977.5826 962084.079 765330.6989 764050.3013 707087.2033 772243.8096 734999.3321 743442.3467 666342.5889 710623.2285 706906.3723 697079.6723 703054.2136 690299.7847
Ascochitine 123466.4833 166984.0629 156913.301 130514.8172 123114.2606 123924.4863 138485.749 137084.6695 136228.3731 182577.3432 149398.6368 146302.4331 200.5847632 10341.32035 9780.472631 102.3350124 6126.867184 9396.846372 4362.764895 404.0452775 3411.430851 221.7576267 36.03097814 4214.97583
Vaccinoside 73491.62213 73736.9642 66832.32661 78897.19988 71669.34674 71714.50451 84605.53031 115671.6284 89334.58604 98565.75116 103933.9773 81049.27123 109057.5621 96168.56268 88782.61098 83887.32889 85515.76076 81636.84528 14274.60609 33637.44116 36122.19944 40575.34249 34027.18772 36285.45027
3beta-Fluoroandrost-5-en-17beta-ol 1882.909449 6550.567291 6980.808377 7525.640759 5648.567945 6391.05389 6431.481836 1786.787782 9293.163443 7325.863843 6718.961765 6941.799584 10652.09149 9687.410477 10199.71427 10260.94684 10576.35313 9608.442701 11402.27087 10005.35366 11660.83898 11563.60147 10834.82866 11375.48475
3-Nitrotyrosine 31247.31247 17952.27766 11083.43163 20902.11337 24256.6311 18706.38097 7999.18781 2740.792451 5078.240098 8682.626253 11083.2595 10057.82065 75929.14009 68495.99584 69109.30003 69356.52551 75946.76414 72239.87646 4599.963642 5780.333909 7764.011058 5314.548329 5962.618939 6609.951039
(4,4a-dimethyl-7-oxo-6-propan-2-ylidene-2,3,4,5,8,8a-hexahydro-1H-naphthalen-2-yl) (E)-3-methylsulfanylprop-2-enoate 200.6217725 645.9871168 159.9812743 649.9131233 496.4472291 368.461836 245.8656848 1494.173017 803.8300406 435.8217987 1105.610729 387.770904 13535.78303 11923.14068 13926.54079 12862.11731 13160.68772 13425.26207 23357.07713 21558.23068 24068.52998 23148.81738 23716.10905 23029.24348
N-methyl-L-glutamic Acid 743.3680467 1129.736818 409.4348878 1493.116571 520.981312 406.2821977 2019.410345 1974.34431 2235.747666 1824.670229 2619.411467 2431.14338 20758.2058 10636.69602 11027.44975 10647.00728 10956.65638 10641.81976 14862.90486 14717.36825 15687.89457 26615.12324 14381.71133 15840.93211
5-phenylthieno[2,3-d]pyrimidin-4(3H)-one 78.97643454 14.96066904 22.81464863 20.73719495 41.07356609 54.77694227 41.354559 55.52003067 9.512122243 60.85442 3.024929141 40.95601392 27.69820075 20.99217673 28.86013807 14.46888525 32.81923927 12.60998312 5.97696796 18.11329768 24.1083493 1.712908792 10.05886922 9.184127652
alpha-D-Galactosamine 1-phosphate 3171470.287 2571492.337 3139180.811 3206836.168 2437223.324 3022000.676 3017060.231 2979791.543 3028704.957 3050150.896 3167362.742 3022233.375 32770.15909 44383.00082 41192.06235 42298.85772 42535.38367 27489.27351 331.3906732 23596.06514 19299.87198 21728.72997 25708.81345 495.3113604
Dithieno[3,2-b:2',3'-d]thiophene 25.95631248 10.63650238 242.3500225 40.72069061 426.2734067 243.7543229 289.4229939 193.3991763 275.012492 238.9299971 487.3859292 208.1556257 3179.667524 917.8706506 334.6509254 675.5737359 567.1435909 1203.624731 4248.313915 4255.568131 5190.942876 6568.696921 2752.303042 3577.359354
5-(6,7-Dihydroxy-2-oxochromen-5-yl)-6,7-dihydroxychromen-2-one 7055.547938 3677.529707 3756.413655 4186.990427 4421.246407 4721.773953 1139.903894 3808.032173 1629.511708 1014.143399 2957.421853 996.5191803 588.7246551 405.4254823 290.1102959 1125.683638 642.4758824 475.1088496 43.82298013 244.483835 231.1576307 80.72632654 491.4046665 235.1306908
(2,3-Dihydroxy-4-methoxyphenyl)(phenyl)methanone 4066.153589 4724.378178 1859.831532 1799.497125 2390.563291 2049.75768 13123.29618 15331.21783 14610.18243 12928.10601 12710.26985 13067.62641 119048.167 128127.6254 134570.4478 39392.72062 111621.1049 114561.3854 120966.2521 129007.9926 46984.72589 113155.5192 132948.5792 46011.08218
Isopentenyl pyrophosphate 32837.9656 32524.25617 33965.63341 36375.29518 29799.58585 30622.55931 20061.15623 19659.70609 19552.73459 19236.84977 19545.59552 16866.6935 83.48259606 69.18208605 845.6122592 1162.588293 18.33069633 826.7900072 157.9644768 41.4650993 70.34163517 13.91366881 27.82747077 93.05380679
H-Cys(1)-Tyr-Phe-Gln-Asn-Cys(1)-OH 57839.47527 53581.8146 53875.72709 53459.43118 54605.44396 52179.14639 44017.18503 41571.22354 43582.11572 42681.15536 43101.59334 39876.40293 1815.833093 2267.001967 2222.308918 1010.654518 871.0182357 1867.786786 669.7723858 1016.789496 3307.857361 2678.136089 1269.066123 2166.846302
DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir 73.85854425 112.0028343 93.67420915 88.5851923 144.3152109 58.63956376 54.00984627 86.88675511 64.62256383 28.09676064 135.3560032 178.3622102 1777.407354 1774.277483 1475.072027 2567.523183 2308.724901 1851.848303 4417.914978 3817.305696 4040.733372 2897.213098 3723.92556 3230.343457
Rubrofusarin 96970.46227 68199.26463 6598.506806 3402.492504 15627.31524 72294.46258 72115.54749 73115.69503 96008.08592 103109.3743 77835.21676 74560.36707 48630.12351 164609.7105 118234.9937 119164.6786 84599.36283 102034.0812 120518.1914 77830.97564 127565.2206 135283.3127 177761.1728 133172.9934
6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline 1258.224757 1223.362182 1393.950179 1129.704687 971.5463405 1358.012992 1235.21393 1433.306881 1362.893982 1176.424088 1890.55459 2134.523899 5774.390223 6024.261583 5138.441153 5885.121282 5627.404494 5983.360764 3319.516903 2309.797386 2041.948001 2560.924548 2280.744848 2601.730004
Fluocinonide 1884.235641 2170.79516 1932.236685 365.1087998 1460.930863 922.6959156 1728.249323 7163.442374 8552.556868 9316.143024 5379.719324 3148.547788 13943.37602 15776.4758 13259.41776 13355.00622 12888.79301 13650.08932 32050.93409 26323.03813 29405.61351 30625.62123 27667.30804 27756.96386
Azamethiphos 682.7493938 688.8561594 997.6646541 918.8800032 629.0596654 900.8048143 1055.708707 403.9366674 754.4953683 763.1630755 1122.091404 397.82838 1644.672978 1775.91598 1577.169449 2193.638551 2535.568815 2036.298793 1471.163168 1169.258362 798.3382753 1403.252658 381.7989048 1154.092987
1-S-[(1Z)-N-(sulfoxy)pentanimidoyl]-1-thio-beta-D-glucopyranose 21429.38179 19934.44223 22533.24015 20912.1587 20538.11133 20661.63876 13203.13137 13086.21561 12417.83422 12135.63876 12830.64766 12576.85667 64821.77489 64898.64301 60401.36685 60019.62327 62416.01369 61098.95449 42615.80261 39066.07553 41519.28473 41065.1817 43824.90436 45259.80424
Eprotirome 1812.486515 1970.737926 1702.874473 1940.294446 1939.072796 1818.501603 2259.798401 2116.117391 2588.787516 2272.592609 1880.387188 2260.638664 1554.523718 1418.401582 1308.504256 1778.059264 1463.382604 1883.70402 1690.475259 1713.077222 1573.637953 905.9761367 1694.112314 747.9417568
Hallactone B 29185.80869 25727.61042 32823.9655 47901.12347 27857.02302 27984.88855 50607.15232 37612.47056 52328.39847 38805.6052 51203.77486 46792.34231 2695.373078 3203.740717 1581.44099 480.5959663 897.7198604 652.6755636 7498.619598 5313.378538 4025.492059 1416.171766 5739.330904 7472.95014
Ethidium 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 446.8173013 294.7362376 344.1943452 124.713369 136.2646702 102.2831895 1477.443092 1546.109731 1888.252751 1747.876175 1597.500445 2231.729901
Bendamustine hydrochloride 13185.26797 12550.9905 12712.63532 13179.61095 12777.78503 14359.94974 33261.93443 34459.63376 35343.39424 39201.34358 37494.76348 32835.67055 94449.02665 95519.19841 93533.05914 94230.01441 94549.40466 93218.99167 56025.78034 54775.52456 56592.96011 57511.66758 59894.58667 59633.03842
Hesperetin dihydrochalcone 37900.44824 36536.74839 35890.68895 38187.79815 34694.42598 35967.19978 32250.7509 32019.82631 29057.4549 28383.50363 34049.98537 30719.67345 22349.3593 20827.28953 21908.00883 27764.67438 24267.21528 20103.8185 12652.66231 11170.69144 13218.09074 12668.35328 17468.64379 12104.04287
(2R,3S)-Piscidic acid 40221.76619 43927.20965 40342.18675 42799.25148 42422.39968 38473.41027 27090.64207 28133.10069 27499.79347 28435.31762 32335.9395 29061.21554 2223.979168 6563.550926 6434.180083 2317.792974 2525.684521 2706.464003 11969.42532 11143.48612 12251.15074 10821.10928 12377.69989 11937.65872
Diflubenzuron 74289.18373 75845.19602 70512.13671 76074.08176 69294.54874 71073.02204 46753.09575 44668.93054 40071.60149 50858.54095 37280.86083 46767.06849 31506.79683 29860.37225 29191.02077 32786.91906 29877.1644 29322.39315 8157.613662 6632.376871 8385.495327 5532.499908 8632.694792 7565.558817
Disulfide, bis(4-methyl-2-nitrophenyl) 294.8604108 469.2845288 337.7791793 422.5050277 217.0285112 235.1166833 22402.72365 19142.92786 17957.84952 25379.29251 37482.89502 46763.77371 42334.61626 34176.80464 42570.59017 39601.47891 30122.46955 35333.67155 1615.76294 4120.027541 244.0490972 177.4201158 5058.525104 1485.796685
Perphenazine maleate 180365.4282 179557.5844 173817.0644 169299.9517 163091.0536 160162.7197 139573.2742 126836.5606 124634.2612 114270.4133 130417.486 122467.6079 28945.02037 66654.50927 74048.62407 22319.67982 87464.5795 71765.53315 22511.47087 15854.0304 20159.08188 23794.17923 1859.842302 292.8367348
4-Benzylsulfanylpyridine-3-sulfonamide 1529.297951 1876.006597 2031.546527 1772.305073 1807.891789 1729.573096 1610.158688 1938.327593 1721.103402 1700.799521 1786.197622 2051.454053 2879.053849 3118.184154 2272.171608 1570.931383 2665.91443 2217.440163 1408.392867 1912.701772 2005.29386 1619.091519 3329.93602 2184.72325
Kinamycin D 272066.772 273817.2864 268873.7519 281223.2459 256916.3413 260397.3444 200397.9116 192508.4811 189208.6607 201530.0088 217826.9291 194459.2271 901.9862801 2298.225943 3336.171547 803.7674687 1626.378671 333.4479015 262.6470027 765.6612339 4510.921862 1079.752352 400.3022565 346.6528506
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone 2.734655393 0.27668152 3.289729542 3.554297564 0.154380452 0.200493923 4.243891563 0.116286381 2.478493178 0.300739931 3.674236613 0.106261117 0.116286093 0.843153318 0.824029342 0.274676965 0.690699652 0.158390015 0.097162325 0.27968785 0.458822418 0.240591703 0.120296251 0.157387375
8-Quinolinesulfonamide 1428.413567 1444.241006 1382.732587 1485.872479 1615.851749 1079.131078 1034.933758 694.5398171 1436.950464 1314.176198 1528.610861 1270.800415 2297.326797 2446.135634 11826.19543 2234.894324 12178.35023 1280.832419 5846.292576 5421.843271 6300.258751 5917.8864 5071.477479 5614.247328
3-Aminopropionaldehyde 2505.132221 3005.757858 3103.459428 3699.424172 1090.684625 3453.039098 2406.137604 2378.62196 1783.571482 2243.534674 1756.212228 1724.862897 2202.425881 1898.448749 2269.660884 1750.553944 1523.08697 1457.657984 9068.52098 8631.543283 8798.89083 9496.670665 8269.605613 9329.266704
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol 128201.1251 131317.1694 105401.1656 108373.2411 128386.6996 124477.4058 28847.7145 35527.58836 29745.12537 30999.9247 25160.26818 21848.1556 20775.96195 40557.19614 30704.05833 24316.9525 18779.35023 19462.80528 7508.423684 5635.785123 5694.049094 5816.247919 5570.534735 6632.236538
Naphthyl-2-methyl-succinic acid 62.98084803 48.31140716 134.2809473 84.03083311 132.5081398 88.94351196 163.1207088 68.68605596 201.9184522 79.81788233 43.04767786 121.5005094 261.4366316 679.3756871 377.80764 568.9213064 670.9322306 558.544514 985.191824 602.1304579 765.6262743 479.1124995 402.3130658 560.9242776
5-O-phosphono-alpha-D-ribofuranose 373708.4667 264505.8856 258369.4509 264308.5267 257578.1733 265699.0019 213317.7813 210660.1831 143259.4341 205539.2476 201583.2505 195330.7354 61245.63735 62791.81488 56063.8656 61753.41561 64590.75466 56809.84371 20709.9899 18930.89539 20471.83024 25690.54866 20136.68627 27559.4951
5'-phosphoribosyl-N-formylglycinamide 3958.780381 4763.456003 3742.363892 4739.097307 3726.739295 5971.23959 1941.019821 262.2642177 577.2076105 1155.592418 2883.213851 2003.667145 34892.3681 35424.89232 32341.74021 38276.89243 32026.03739 35801.48001 46832.52589 51470.93942 54721.78507 48966.26026 52011.3121 45048.53938
Hyenanchin 1452.304336 1970.093527 2277.199535 948.8049975 2195.46828 1113.26987 10031.75677 11451.28498 9311.420765 8742.502825 7556.937594 8414.688482 1566.89429 1416.794648 1804.463914 1222.106005 1364.73792 1271.05469 196.6282902 753.6510934 269.7320625 523.9270789 762.3515355 577.7642533
Hydroxy Dehydro Nifedipine Lactone 11326.29626 14250.87085 14132.29698 12207.88216 10110.48583 13571.88705 6637.104018 14326.22858 7999.984666 12730.38806 15445.4484 12242.58004 1880.675112 894.0985463 403.8764853 884.3012153 163.6668846 1430.166484 686.6694486 129.6699578 140.9396677 643.9575894 229.1088803 430.8487937
Prothiofos 307.0530132 1156.311268 2482.069104 1049.146863 1473.668874 1860.468605 2090.917378 311.0427791 340.3844075 856.7959846 68.76455101 86.22202891 7856.393498 12134.59495 9654.887438 12239.18837 12034.26498 11512.79246 8190.678548 7907.319534 11526.15452 10414.15752 8523.445082 11847.53339
Deoxybrevianamide E 242.6158037 272.1240348 134.8472084 197.4747031 87.81392485 152.3288186 400.4512125 242.0592185 260.8963167 417.7271449 1224.638694 310.8289369 977.4406528 1897.537723 371.1588177 706.9511066 870.7981487 1294.158384 3022.087121 3354.176213 3105.637586 3646.069422 3324.268292 4657.447885
Fenoprofen 21176.94321 22427.45876 23636.46769 23372.49327 22006.41129 22064.86192 27883.27419 25900.61849 25251.01507 22737.3609 42468.07242 26446.61661 1250.109313 1345.860226 281.2816986 244.0433207 71.53019851 1769.649638 204.9133399 155.6832335 1285.458337 557.5161344 229.0030188 468.7356653
Ketotifen 4161.652498 4300.794475 4019.745006 3949.098491 3045.735799 4755.013927 2495.387037 1676.784224 2845.033393 2231.543936 2530.250286 2323.01417 1027.012539 1818.830545 2032.546708 2255.390017 1265.37823 2156.257008 5166.405851 4857.992162 5574.647353 5439.449536 5027.855516 4797.42727
Loperamide hydrochloride 984.4659833 1379.296268 1124.716456 1238.615607 961.0126802 1523.997126 462.4468035 403.7331417 189.0754923 168.9786344 284.962967 207.8788662 283.1591129 285.6653909 223.9724207 61.72770295 182.0638661 249.3658891 23.0118142 52.06017943 14.63925527 136.3897851 14.12976667 8.456220462
Halacrinate 2608.206346 2514.921629 2429.701388 2292.548142 2564.629391 2307.555607 1550.206067 1657.16876 1892.959444 1860.163412 1884.104782 1600.103835 1433.263029 1074.029451 920.3529817 906.3407701 742.38248 780.3179156 222.2297819 220.6390892 293.7736701 222.7549919 147.7243697 166.0638235
S-Isopropyl 3-methylbut-2-enethioate 59.01814639 149.963586 71.58096195 130.238387 29.76197004 59.35517796 46.54074317 129.7509746 43.42093613 260.3181711 198.7212703 122.2502236 8208.452906 8484.529248 9085.182196 7510.623505 8623.847775 8035.878136 1974.366323 1810.832502 1792.555929 2366.523601 1571.652703 2317.22145
1,2-Didecanoyl-sn-glycero-3-phosphocholine 69463.28519 65110.59499 67116.99717 64570.50134 66552.26773 70958.03308 69899.97685 67537.06183 68652.81714 66931.2047 63948.54746 69058.90261 94770.06552 97714.50341 94801.55604 93965.90239 96616.07171 91813.83785 112858.2758 116641.1143 114724.1733 115137.132 116823.9175 118931.1376
8-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 9957.93253 9474.973202 1883.081072 6834.034966 9129.979418 4409.620221 7178.273815 11726.28559 8024.463543 12830.61542 32265.29249 24322.28036 44455.30791 34947.82748 42917.51379 37604.341 24240.46174 27118.93491 3842.185713 3996.788537 2447.766439 4543.958891 3473.352225 3822.686099
[Ile3] Pressinoic Acid 131362.7429 140659.7164 130739.5523 145030.8245 133615.8271 127200.3076 115217.1349 113030.2976 114951.5713 108486.0482 119685.6586 118647.2349 158285.276 161224.3998 158645.5104 170881.1843 164686.4793 162897.1879 64327.80783 59288.46465 63100.09827 43798.7249 58637.47904 51349.76314
Glucoemodin 1384.633311 1463.140137 1454.174446 1729.747818 1584.74643 1536.668883 18.0750913 1.784301727 3.064519709 5.905024868 6.427100415 1.80030668 3.953174507 4.416765829 17.77103448 19.70738994 10.29773689 2.664451037 3.136561017 3.965751931 14.65852146 1.760298976 10.86586337 2.79247451
Angiotensin I/II (5-8) 31.11393324 5.923292367 38.96704094 31.94912502 23.74109802 3.744039069 11.84653019 15.08367849 9.72489772 3.955242463 11.5585142 8.304048897 22.80985517 6.201676193 10.79045032 13.01507982 9.605209293 11.48169352 13.93671807 3.667226713 7.751727077 11.90413132 8.160089903 3.891228725
Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) 568.4369321 1044.914506 924.2834925 895.4413351 647.2516475 1265.20557 61.30588402 300.7849186 841.1343714 247.4876673 320.5600811 420.8143799 2463.931302 3112.147062 2441.20218 3323.043073 3443.994336 3231.926394 738.1815974 1104.374681 1041.630361 985.4920151 880.71101 833.6349903
Propylthiouracil N-b-D-glucuronide 7899.903913 6883.575403 6374.011327 7716.133776 7511.257217 5986.25006 1918.366189 3246.63713 1528.858147 1978.284534 836.7342625 1502.401338 7503.23783 5976.668798 8183.877667 7813.729857 7937.878413 6804.784175 1495.453104 1047.153325 372.6146913 1760.868902 1336.649508 740.093369
Citco 285398.4034 270054.4167 247227.1745 293061.118 263932.5684 262208.5156 58648.89752 56463.20567 53948.89085 64382.81381 58980.66382 56783.93325 134052.5973 92256.09792 74018.14285 81185.48709 71012.59203 81372.27832 24408.8363 37245.7288 36698.08257 39196.36262 35655.11264 37530.26513
Isoflupredone acetate 280.35874 298.206548 244.8729735 214.9937716 708.351267 563.6952044 875.2626283 1351.140393 1217.023059 1594.241697 1796.012202 992.1175153 8417.990251 9579.757784 10314.0758 9263.187472 9401.720224 11876.33953 6186.607944 3628.620565 4510.397046 7001.743807 5126.362849 6662.938542
Oxalate 3235.933627 2239.556512 2677.328609 3169.246994 210.0999229 2574.281416 2606.629359 22.45871955 1666.640342 3907.218111 223.1412292 2687.346706 69316.31761 69511.08159 67716.2123 71749.99577 66531.11711 73733.20281 37638.7769 39995.05798 42645.77877 40930.04502 42060.25904 40706.64831
(-)-Bilobalide from ginkgo leaves 225753.8768 219047.6015 215519.7373 222272.5965 213564.4242 212897.903 214243.2141 215072.5684 208781.3615 213711.3335 215569.4845 208424.1888 484266.5206 473272.4492 467174.2415 496544.419 482806.2868 473801.6219 555373.3468 545231.8027 562185.8028 561743.2773 555006.2042 563845.6597
Diflorasone diacetate 32.87800493 3080.259528 3425.936464 24.97070296 2188.772537 23.41001265 10785.53399 12852.81101 10863.59468 9857.570111 10277.28458 31.52544027 21876.45897 21349.95661 22315.44988 23294.28119 23206.77466 23951.12629 3890.681133 3987.735936 6862.19393 6252.989984 6774.673986 6625.624856
Fucoxanthin 127262.1788 132793.9682 144764.7136 136428.8151 131402.9547 133620.6219 75111.37256 74034.79886 74078.93138 77794.9279 80082.49522 78516.91942 77152.32546 73495.69986 77587.562 77948.05114 75122.16787 72671.25189 56413.35812 60166.0747 75034.08463 58016.90457 59805.36906 63520.31554
Taxuyunnanine P 282.2369122 188.694658 308.0408174 99.99255642 59.0678415 57.70148815 5223.092242 5382.359035 6869.999469 6639.778048 3505.954063 4802.720298 5046.395452 2733.048472 2019.596649 2901.992797 3288.639396 3053.188534 5971.2855 4581.75957 5711.062238 4764.426953 5915.405862 6298.124495
Methylpicraquassioside A 68868.33277 61843.86313 64233.13026 73777.22899 60513.02579 73121.76438 122981.8408 154131.8448 114081.4011 141372.1117 136707.9114 157424.7078 15622.99721 14525.93777 8111.634502 16007.56816 14912.35431 15452.38923 17714.2412 16414.4787 11254.64064 23136.85661 15939.26833 19435.10948
Etoposide 106208.4761 109612.7685 113275.4999 109844.0668 92083.05415 115344.3474 59482.87335 71901.94541 69428.48215 67868.90154 74057.03349 66036.40057 135.4014879 1197.291885 40.51368373 454.3568643 162.054764 5319.442772 576.7886596 1067.217285 392.6996683 135.4010487 193.6836266 1710.264931
Phe-his 230852.1999 210146.7312 198140.0046 202709.4499 208228.6851 192328.89 207601.5907 182183.1115 205574.1321 205809.7631 211910.8383 200474.2474 90408.55282 275512.3512 283550.2231 94791.30936 94850.08002 83917.98837 46315.15019 50895.19807 57352.26897 56573.03817 47269.06904 49554.13384
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene 1218.102419 1725.58741 1670.395758 1574.292666 197.25541 1238.7602 431.3856671 72.02152666 1420.874621 615.5240495 879.9788788 644.4808961 4746.921615 4345.996634 4165.628297 5586.561336 6097.663471 4828.812766 1454.426666 1669.840566 696.4500714 824.783594 186.7889021 1563.470172
Diazinon 660.8910143 912.8319146 202.0470943 731.0942152 1842.983626 9815.724254 179.7962261 2837.371484 4480.795535 222.37669 125.2120483 499.5394498 10590.08125 9347.660454 6687.356643 10672.27309 8469.471104 3212.447044 16997.07457 13181.55121 14760.05936 15021.2837 15025.09051 10622.9769
Rutaevin 8554.341907 8514.346143 8258.889058 7539.216974 7274.761652 7553.437051 13018.37177 12193.99711 12771.44864 11866.23035 12316.4545 13047.00132 12.81582497 854.445505 349.1094996 318.9531625 39.6680414 288.2674226 5.18735697 14.05811253 11.59523514 314.399742 463.1862497 21.51213196
Glucosyringic acid 4.702731224 3.585320697 123.2296488 2.958298973 2.009718991 1.398758811 26.62962719 2.869856411 59.16765883 72.70334779 1.574666684 6.318593586 304.872638 270.1449415 343.282411 433.3249267 199.4269893 289.3814788 10811.71031 10471.35344 10990.05447 11824.8849 10611.87106 11574.47338
Bromamid 35756.37697 34837.44258 37328.11444 42434.85275 36749.16956 39752.29023 18249.45956 14816.73383 14790.75673 16840.07357 18988.77818 17418.79438 1111.384476 932.6736607 156.0543415 85.68496968 1477.141907 328.6643552 179.8859765 335.4038343 272.3594094 413.0492568 263.7653655 226.6624971
Betrixaban 180.7435132 137.5889466 233.1000589 230.2822182 116.6879652 125.7790429 174.8121701 114.9537108 130.7096361 178.3092747 167.9224435 158.1947178 999.0130216 1182.63038 2714.453191 1332.425698 538.440384 1755.629581 261.5217212 66.95555453 126.2588597 379.1571447 305.129447 246.0925915
(3z)-N,N-Dimethyl-2-Oxo-3-(4,5,6,7-Tetrahydro-1h-Indol-2-Ylmethylidene)-2,3-Dihydro-1h-Indole-5-Sulfonamide 10898.77196 10313.11409 9848.30972 11770.53873 9450.05218 11969.63241 10670.57532 12068.85785 10650.98211 11774.93372 12294.50737 11736.75087 17616.75309 16544.666 16889.56898 16392.28268 16974.81553 15871.01248 22963.48911 22874.41113 23684.09458 25265.915 21819.75235 24511.45363
6-Carboxyfluorescein 518.4653605 844.7827362 1406.768261 1012.436334 490.3794125 3149.823844 3321.605676 3750.293449 2140.279011 2123.163764 2867.708952 4672.217111 17767.27604 9565.363095 12019.07243 12101.03488 18608.28202 19884.2874 18496.62995 16375.96376 19777.02746 17712.03034 17894.48831 15275.87096
Ferreirin 11562.00076 12838.82641 12391.95318 12097.08986 12074.72985 12223.63657 30367.70988 30830.36402 28729.87084 30189.08899 33004.9025 36089.51111 626.3050882 167.8817987 218.8309103 365.9798353 211.7634575 272.2213738 1502.280342 1768.917474 1458.730247 1613.367013 484.6012762 432.8080821
C646 2195.975152 1614.826867 1429.425155 2340.566735 1730.236654 2108.898549 2456.75466 2179.041033 2209.688227 1623.575723 2668.608763 2079.043379 248.6324167 81.16241549 230.4315782 83.87930606 123.2542463 110.9615844 210.738594 145.7319638 17.49993392 15.08617454 169.0225126 20.51723629
Oxoglutaric acid 29832.19642 29240.49266 29824.4194 36072.95086 27040.34251 33300.83851 21700.62582 21791.52225 21223.77494 19655.09137 23506.6337 22813.76902 79554.75938 67164.6133 72758.50677 141244.7033 70548.13399 63214.12127 62945.52227 61779.98034 65873.08775 70072.08254 58488.39174 67619.75847
Oxalacetic acid 6414981.896 6371382.541 6072949.279 6498642.928 6060842.258 6043108.151 4000651.698 4183007.832 3711444.973 4285493.934 4121033.296 4200554.345 4090889.711 4101267.247 4158511.139 3982099.39 3702422.909 4127371.621 2113033.338 2065366.631 2238413.295 2156313.299 2090390.873 2283096.772
Lorazepam glucuronide 19307.3135 16131.38292 17122.91948 17245.04249 15296.44365 21333.71833 9646.221316 9048.521551 9712.12214 10135.07856 14041.5307 8203.897286 6246.272659 6117.585504 7110.431865 7491.629011 5552.273924 7647.650927 28.33392001 1383.754701 40.00080961 45.74155142 1574.504759 1757.87919
Tricin 7-glucuronoside 31503.81723 30357.28025 33663.36276 30754.92534 28879.97166 31782.27984 34497.38345 33732.17932 31340.16392 31657.49389 31868.99695 32756.56898 14492.67924 7467.888019 2222.54601 9537.882697 5628.148411 12962.45539 1566.633267 1486.263816 466.1482282 2198.103717 1319.25659 4308.116343
7-(4-Fluoro-phenyl)-5-hydroxy-benzo[1,3]oxathiol-2-one 997.0494826 509.1995919 282.2849001 254.5691179 351.2169796 261.4954486 1529.549977 1564.265573 1405.236693 1301.618315 1583.372207 1506.202354 39.8400159 79.71235407 119.073562 154.9639708 80.86727188 113.4024439 84.75399185 50.19591737 67.23787585 54.19209218 45.05226878 39.02150028
Ethyl 4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylate 840.4661417 327.0799702 644.7636855 528.1469674 572.0238762 190.9962368 1952.668917 1713.1659 2239.140235 1859.710642 2357.924672 2185.927044 182.152206 8.567883821 203.9385891 6.676258411 45.34977038 163.5983968 90.81226341 7.010076847 90.93896146 64.97079951 257.1351459 139.6646999
4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione 4170.659547 2710.219031 3919.731547 1821.582982 2682.673092 3046.873593 2554.674881 830.7479465 1863.784755 2946.182747 659.8883324 1856.755987 1658.307399 881.7614972 2535.560513 2709.44488 2700.122526 1394.538899 4881.702077 4866.794349 4423.67388 5034.265601 5444.112031 4404.820681
1-Oleoyl lysophosphatidic acid sodium salt 468.1676156 907.7534626 743.2852576 177.1319194 467.5603266 440.627934 1987.130056 1921.207399 1895.811653 2783.278885 2569.904824 1853.0026 6036.446525 8371.352038 14939.56016 7806.22167 7236.570338 12438.96815 27478.16868 49543.00423 37831.70747 32726.3854 36461.29562 66233.27898
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole 54116.00171 55349.50705 55140.58158 30315.61254 53019.81343 52342.59608 50167.8992 50599.54514 51106.57802 46970.02086 50676.18237 54510.41125 2339.853867 769.4468497 817.2968392 896.3252372 1567.368043 1311.374716 738.7308516 636.0208528 744.3156259 1678.588041 720.7167908 427.0151738
2,3-Diphenylquinoxaline-6-carboxylic acid 1236.083457 1388.022802 1099.347046 1481.083786 1057.562142 2019.938261 422.3784627 611047.2823 1543.284297 5576.579689 2087.100731 889.6477789 4424637.883 4340332.047 4380654.484 12601289.58 4455820.602 12296149.3 8154354.818 7973926.155 8335160.69 8141479.842 8233044.018 8270262.068
Ser-Met 15779.2699 10131.40483 6034.823635 8483.243925 1597.261712 13252.34327 10202.98683 11217.12722 7993.394842 8030.001207 9688.5879 6551.690286 283120.4285 338581.1938 265919.8698 295568.0657 319350.2257 310183.2363 68583.72972 100658.0529 105486.5722 66665.95427 102677.991 70449.07015
7-Acetoxy-2-methylisoflavone 1166.819293 755.4342067 1612.42775 1156.518214 765.1861452 1391.997498 5108.086738 3342.392622 2270.89409 6358.72995 5621.957915 5971.216905 6897.340948 5966.91684 11674.10767 4243.729974 5865.195698 9585.211968 33488.0881 32887.89379 636.3957817 43241.72242 45361.16168 7856.788859
Isocitric acid 11063.67061 10658.57239 10838.64397 11717.00976 9845.62373 9148.063522 2549.657765 1171.223464 2121.581521 1335.367489 2050.38181 1794.983809 7026.270891 7097.225707 5887.678482 7551.224211 7426.933594 7009.076468 9547.824765 8871.298986 10226.30786 11979.63685 9562.743458 10278.61231
Fenamiphos sulfone 348.6087459 276.5266393 41.21387518 357.5106561 244.7545298 216.9592048 212.6563796 223.2957717 230.8422275 197.7946229 225.8850664 312.6820908 418.2669716 1020.937827 703.3465836 601.5149308 972.5508815 371.0813107 1878.733236 1826.365711 1849.433236 2277.997482 2177.281966 2097.911349
Axitinib 6794.439793 4617.960739 4369.970099 7747.364074 5652.544389 6861.267088 4836.353526 6091.356072 3137.182727 5425.732474 5526.107675 6384.475867 5869.914619 5044.911974 5729.599465 8977.647062 6383.821429 5145.242071 15157.92685 14776.70209 17149.96767 17210.7097 14135.7416 17996.14326
3-Hydroxyisobutyryl-CoA 28504.63561 103103.6719 97009.86661 128654.7891 136601.1283 142189.5756 177392.8455 226075.26 189146.7744 196222.5078 210711.9678 208701.6277 221.3935304 12399.98866 200.0326709 415.9262865 9296.976738 198.199695 152.7288746 6890.370488 6350.819465 6941.059831 5741.374315 7829.651889
Oxoadipic acid 23963.81827 89469.96163 69868.80977 58608.61308 90294.46886 24656.38209 101098.1017 86977.78521 81983.77992 109070.9558 27418.07876 345452.6917 56434.5757 119443.4014 125687.6026 97074.8041 120590.6588 48015.38368 210007.8402 222017.3195 212442.7499 218026.874 227289.8585 216112.938
Eriodictiol-7-glucoside 9528.733234 11413.16281 10147.28834 11489.23673 10696.7835 11446.72202 3632.650866 5554.822517 7941.226121 3912.783423 5431.334987 3955.878837 1367.675526 1367.962088 1070.371893 1371.745832 2004.081104 1463.607702 2372.095933 589.1456986 1033.771996 2439.839269 1015.412768 629.6297645
propionyl-CoA 4774.745128 1329.843411 2057.252696 2912.92235 5030.777632 3236.465668 1250.895732 1466.184887 991.5809108 3762.955446 2461.68362 1831.074969 38823.18632 38498.28046 40683.76717 43962.48437 47442.51742 46131.9354 15137.2949 19598.06057 14372.85646 18390.50105 15813.59483 22658.93127
Aminophylline 198.8326004 348.1513357 186.7764941 135.8489546 300.4316132 317.3650454 781.1759567 247.0676432 727.5398139 250.4028189 1347.782496 202.83184 23761.24013 24061.78475 23685.44618 26714.62088 24581.1913 25646.755 56059.87044 52099.00042 57507.42277 57229.31398 53365.57423 55568.19711
Thioproperazine 619.666168 367.7669905 369.4349025 47.8389126 200.8975995 317.1431319 295.369404 172.3615094 504.069138 319.2073412 207.5960843 26.97875464 3263.666126 3168.168583 3341.821184 4234.981778 543.3329807 2097.131442 1832.763114 1335.593834 1585.218731 1630.973826 1974.054232 1006.426212
Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate 368484.8202 359449.5873 360689.9519 380948.7317 374330.9342 141809.9158 402079.6939 288975.7128 285778.1351 300455.074 474768.6897 302435.2146 1046094.335 900313.0516 1077276.268 1030391.844 993779.5955 990706.101 76837.95523 72075.87843 79603.70513 75373.66526 77240.79953 82028.02907
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate 1824.236714 2223.727615 1555.11725 1328.875213 1176.76065 1874.041241 1764.097921 2858.444151 2177.990684 2428.715957 2038.171028 1921.827256 9453.828225 8173.407841 18443.14702 13745.63062 18220.35115 1266.86508 19072.23672 29746.21527 17593.26334 21658.15463 22698.66308 11418.27813
Panasenoside 21186.95668 10561.68644 10987.67583 17708.13897 11059.62237 10261.45357 5934.656621 923.4713997 5835.981778 6396.315967 6283.653677 6225.924744 1229.739159 9885.547415 12134.20581 9535.520365 10356.90996 10945.6173 3937.140127 3156.999371 1472.513304 2676.246082 1384.154367 3245.793174
D-Glycero-D-gulo-heptose 9024.52521 7634.304007 6300.190543 6661.786434 6896.377779 5200.1322 2054.051189 4629.035724 3586.931054 2212.402891 1917.095036 1972.161543 104.9430246 253.8610247 197.9918309 69.46739486 429.82958 553.504803 1644.639048 1463.09014 1358.195585 1405.407214 725.5038598 1259.799898
Etamiphylline 862.8551243 567.403704 531.0884504 582.4585722 47.65829156 113.6565591 577.2862804 801.3592828 853.9369149 1198.94204 922.0420164 929.392459 5629.807405 5269.697071 5700.171237 5287.536162 4753.703112 4127.045693 3937.117721 4355.637738 4600.142751 4468.960166 3795.104502 4725.771058
glutaryl-CoA 294599.7735 628696.2335 139397.6101 788817.9127 779901.6223 160063.0879 694620.2656 475413.6887 806499.8216 1043150.31 451089.3641 948145.6999 86681.2142 2410.954024 1855.850135 2543.32124 1936.810202 605.3667019 1358.597991 1500.9641 840.1740112 906.3817387 1397.058953 1338.231584
Aristolochic acid 882.9588614 23373.5172 3254.136642 6012.157865 10854.31538 11092.94742 37542.52221 28751.98772 31741.68133 43234.12513 39299.22112 54037.75484 220105.8679 244750.7592 235551.7589 201949.1357 197609.819 222920.6586 329877.2963 361142.6359 337775.2383 378914.2292 355759.8423 353979.3199
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol 769690.3166 788601.1911 801738.5869 738771.3474 795481.2173 777981.1066 682462.0177 719296.5865 664070.1091 641072.8638 697286.611 684416.4333 305481.495 310935.2547 277384.2711 297787.1905 277692.4553 276529.1244 222844.0454 253158.6243 255312.2321 227875.6709 254073.2296 230107.7722
Dexamethasone phosphate 5282.780019 3966.569978 4601.824767 3901.103921 5463.65594 3800.401915 2775.552927 2584.002556 2081.224149 2517.003918 3209.305867 2198.929185 11.50976344 252.5651699 12.55615912 187.2235579 1.380599223 260.381005 7.324443653 444.1896586 159.6205461 345.2939681 1.307939836 278.2027067
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 58054.70842 1089254.749 1307048.814 1457903.107 1658427.516 1537151.685 2333963.798 97163.53478 72139.85768 47859.04596 34380.06221 61722.51601 112964.7041 99632.03829 148734.4131 99589.00377 105044.4171 146886.0079 137030.2682 67038.81429 84848.88541 61379.38535 72197.45661 49162.13158
Isovaltrate 9037.784482 9139.167211 7224.220021 11090.94118 7557.966791 8574.789024 64054.72547 64963.98048 63382.33057 64376.80558 67633.58339 64233.42119 47854.21223 49064.27529 48887.1302 13.74152547 47498.25667 7.067078674 36577.57647 35490.49701 7.067075893 11.77844506 36440.37035 37631.56572
n-[4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide 4438.62993 2736.706503 2070.714315 3117.016113 2870.621842 1023.303091 15428.0028 15458.46545 13459.4105 14855.60836 14088.82277 12875.65661 1236.12309 321.9008717 1591.143838 1039.342144 1349.590649 1560.992522 142.6635805 390.7604508 1162.853963 1020.009745 1599.781019 241.2875498
Dehydrorabelomycin 32045.24676 37136.61944 30772.86748 28683.55757 15501.21686 35705.08605 15264.86072 17390.7702 16862.00466 17046.85468 14048.90848 16736.2628 62677.77672 112953.8863 67056.24786 66824.13538 178921.4807 66791.04038 23429.93736 4463.817063 21721.32787 19700.82599 33645.55748 34098.29631
Halcinonide 1952693.117 2123008.957 2172744.859 2165243.557 2257303.301 2265149.705 2159931.415 2270100.112 2315472.708 2234091.619 2133616.335 2274452.094 55922.30819 44685.31199 42584.75487 42045.69571 40030.94701 41446.0224 101200.5714 96112.59444 99005.52738 100282.308 97331.56987 104727.9723
4,11-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione 20138.60826 19707.43873 20815.92836 20025.98782 20089.80087 20703.27835 19748.09155 20319.8453 19525.84747 21018.36705 19404.90471 20508.48905 25442.57969 23456.20106 23799.75582 24003.67982 24802.30365 24614.99987 23524.6034 24618.33963 25071.15675 25979.0253 24952.46222 26729.23118
Aloesin 268050.2532 264363.8834 261030.8686 265004.8175 260808.948 257772.6786 246482.4982 243973.0156 252633.6168 248117.7154 250449.0745 246442.0316 290702.8642 259792.278 260378.962 265699.4191 265263.9222 266826.5882 97264.09357 91801.05806 99312.51089 101013.6326 96918.61997 98814.75918
4-Chloro-5-sulfamoylanthranilic acid 130529.0876 145771.3296 127999.0084 178146.9261 154322.6407 146932.6032 47100.01093 63991.21706 51548.41791 70864.32711 43280.73947 57817.72104 438.1528435 288.6418743 293.2743105 175.8780509 414.4248783 223.0931956 185.3480594 305.8229274 432.5579048 178.4246718 203.4985915 281.114251
4-Oxododecanedioic acid 1033.75425 368.9743997 592.7891035 407.6003639 834.6242487 367.2602601 796.1875664 803.613035 814.9785344 1521.067849 480.3423795 490.747299 7399.946627 8652.990783 7921.492808 7661.925067 9099.873302 8886.000066 6088.2631 5384.721579 6686.511027 4927.703989 4864.991333 5779.431417
2-(n-Heptanoyl)thiophene 488.8315879 485.4533961 722.0469267 352.0032903 1049.132986 477.2779091 488.877108 437.5964298 73.32389107 421.938381 187.5020358 457.6029783 1102.668269 1906.056941 1181.50956 1114.729427 1739.47456 714.4968835 3181.128606 2982.496755 3422.74755 3396.348311 2449.900753 3030.80498
1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane 3607.253231 3609.47767 4020.017079 2856.90638 3873.550855 3810.338731 4058.353975 1758.975985 1538.650014 2118.60225 883.1620688 2185.146896 635.8272404 659.8537869 278.138941 396.1706677 551.3967266 112.4161781 432.2628509 212.6773866 292.1332431 243.2620294 168.2337822 233.5194386
Withanolide D 3651.573667 3686.168419 3543.614743 3931.688771 3441.336409 3138.482082 5993.23996 6914.681298 6913.005095 6356.555723 6114.018462 6461.641706 48874.12566 47155.90659 44791.19948 45488.95586 48839.06966 40857.29002 61748.10741 67055.83024 66816.24963 69072.98712 69919.02618 60126.68114
Cmp-nana 683.9294851 815.5520417 1079.306775 1079.243377 537.7998798 597.1143743 315.6117135 221.1246323 94.62947757 77.00494499 293.2748946 384.3346477 1.253810687 3.695416733 2.26565707 40.1145933 44.10152791 5.290189227 35.97143733 39.78546866 47.6912932 35.2901998 0.753729528 46.75846156
5,6-Dimethyl-2-(methylamino)-4-pyrimidinyl dimethylcarbamate 683.4815007 1085.305526 1027.610175 1663.749695 391.3054172 283.6780899 1197.291702 987.3434056 520.6688565 1595.493416 445.4885082 1533.122593 720.5606659 308.6447366 525.4924618 271.1392884 454.7314692 346.5738446 948.7973099 1806.078562 1313.587373 1402.52942 2418.027763 1309.587015
2,2-Diphenylglycine 22453.3644 28813.09575 24817.16133 37140.641 23838.83115 28177.89643 43429.26644 37348.85566 63200.38824 39742.78426 76669.70168 55212.05626 2476.929459 2408.108321 2456.812252 2609.739123 3272.790594 3256.676512 51.73385731 755.4996619 40.9554303 948.0020137 10.77796482 1390.846568
Hydroxyphenyllactic acid 20067.2693 18817.14695 28387.77961 19232.77932 17565.41167 18351.34942 20543.38652 18451.83138 17100.5377 23282.08094 18451.22521 15771.94334 13276.92984 11212.22635 10756.75182 10631.92993 10608.48623 11910.29149 9326.921066 10248.72998 12385.30159 10910.80761 10217.70466 9754.406242
3-Methyladipic acid 569.6261356 77.2490229 718.4312084 777.4817365 2852.984652 75.32966168 4296.325154 2054.195341 3319.045488 3292.246574 3355.363863 3611.47373 87976.53507 89485.01136 90818.0557 98730.14461 93970.02029 94927.45108 194028.5172 178948.4454 191949.2308 190726.3694 196733.4088 183684.744
Colfenamate 78502.62363 87767.87462 83640.80932 102179.9616 73505.56532 77535.08561 47400.80543 57733.70656 42658.54918 55614.58268 48667.38707 56663.83623 90746.84866 99488.1466 116326.7934 87817.92942 114439.0054 92728.91878 91340.99751 73313.59157 83644.0026 84714.5343 76285.70653 93072.812
Bougainvillein-r-I 19493.74515 16619.81705 17064.89073 20342.25314 17367.22172 15763.29424 8440.9663 9689.197061 11487.92106 7615.007801 8519.804462 9416.229452 426.0995274 490.4041912 967.5899682 388.7983882 55.65669621 743.6773539 1450.573935 190.3103661 433.539156 352.1823292 1177.198913 353.1579133
Chlorambucil 5153.62722 5396.761856 4961.157367 5742.616712 5325.602994 5702.906947 5929.354546 3904.163663 6648.565918 6432.319984 6234.11411 8018.49778 488.5606305 1051.60249 476.045195 298.101473 448.9215319 103.8043203 615.3068029 509.5077175 17.40476952 366.7130425 238.9566597 379.107903
2,8-Dihydroxyadenine 33736.69696 31293.15144 31428.51245 30510.53813 39348.81127 30845.80826 6322.779469 2772.267581 6591.950744 4315.788087 5214.697538 4647.521077 10323.44259 14301.78434 8090.962434 12145.3524 6958.541763 6603.373731 4990.010055 4115.327928 2154.704191 3233.970822 4730.778499 2216.438501
6-Methoxyflavanone 433.3274491 612.26913 274.8755861 97.649606 414.7297785 364.0099745 537.4288653 505.787186 61.86889874 232.0015917 79.34022401 832.8065369 8390.704266 7596.897256 8036.473095 8749.019965 6920.856665 7186.825602 16071.70252 15422.10561 15807.79769 15288.20836 14788.57495 15572.46031
AICA ribonucleotide 65198.09457 83441.67455 72999.99225 74656.99755 71353.94871 68709.83338 19105.57839 17391.8682 17764.46322 18927.04149 20947.3583 19163.1352 181638.4632 159162.8915 150987.5245 160368.8915 160932.8936 158873.8241 37643.55501 34181.57493 39213.32328 61159.8975 44944.40748 40041.88735
Clofenoxyde 252.7886828 9256.136833 1800.007928 151.9922744 103.3059528 830.1329791 2189.525886 2291.207611 2983.068727 2161.930329 1346.032891 931.4643584 3837.489064 3946.108237 11417.92475 6261.546059 10841.95738 7731.249375 25837.83057 27956.6762 27238.60791 31958.25686 35975.8599 29165.74307
Ochratoxin A 1102.997495 36.04053915 120.8288417 96.39430585 1018.423442 1340.36994 1201.770424 105.041539 852.1250571 84.38049411 147.451671 52.05839023 18570.52325 21158.77968 17274.79338 15752.63979 13947.41429 14373.41874 41656.8595 44084.90171 47258.63978 46421.13708 44992.49889 45524.75861
7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one 271965.463 36441.51597 39616.51658 200485.3674 29408.42358 36410.32135 40765.43255 41766.15662 39290.87293 44003.69102 45531.00606 47892.90807 1360115.946 1125177.838 1397113.766 1026797.464 740465.7391 985263.969 502482.7679 523308.6948 504892.8275 513083.0158 505449.673 489116.902
3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propanoic acid 6999.214926 6444.535404 7075.312382 6823.514609 6529.638215 6768.852212 834.9788976 565.3839088 443.1974839 206.0915768 312.0505564 457.9231179 9402.992865 9915.121213 8078.049646 8766.059933 10517.56 10435.35845 7328.317285 6292.692163 5232.514686 5417.318135 5789.366063 5784.863641
Sedoheptulose 3915.933398 3463.839243 3537.578032 2339.206121 3980.709383 2662.816416 1119.994512 3102.419832 2859.484701 2601.232447 2503.098826 2488.298313 3686.204099 4723.409497 4753.286218 4732.338924 4263.710458 4645.565974 4180.394823 3956.501791 4795.678343 5187.596368 5046.083996 4960.205296
CK1 Inhibitor 840.8602262 872.373815 1966.960656 2434.499091 217.9302655 950.3264654 1429.911541 798.4696349 560.2925504 2087.814542 348.7006404 1395.475672 78684.25307 81418.84194 72397.87982 75518.62453 74635.14091 76774.05376 244817.2944 190129.4851 236119.1927 230252.0487 228990.3317 237011.66
5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione 2695.199063 1083.165529 1867.04977 479.4081464 1819.453284 286.0653833 341.5126555 1042.488484 1191.739832 1777.992133 2767.057789 862.6796949 65102.34502 59674.6475 63838.08894 61306.83399 71609.47436 60995.43881 28582.3145 30320.55297 31182.70978 28122.75098 30707.63511 29796.57573
Tianeptine sodium 2255.206925 2717.262794 694.7901438 1750.853639 3399.633226 1382.229589 1133.001945 3509.748706 1082.291356 1939.239291 2522.065035 547.4433043 355.621994 185.7516654 193.6374877 219.5906956 147.73417 118.3354344 130.1979421 173.0124985 161.0338225 93.20124649 95.14471453 127.8913865
9,10-12,13-Diepoxyoctadecanoate 352.5573385 120.4071966 130.8977443 67.72907761 328.2355215 216.4140553 163.7841652 203.7471429 190.8721758 292.6157797 151.1926904 148.7983082 2366.591845 2585.674938 3491.417703 2601.98559 4980.560213 2825.123932 1830.972775 3531.472263 1972.231243 2020.087109 1502.464594 1443.981084
Cleistanthin B 10578.13865 8837.545441 8076.610425 10481.49082 11195.72926 11297.9442 818.1636545 64963.98048 2909.82463 3459.948595 67633.58339 64233.42119 47854.21223 49064.27529 48887.1302 50963.52072 47498.25667 48825.4937 36577.57647 35490.49701 37715.70236 37178.71007 36440.37035 37631.56572
2,2'-Azobis(2-methylpropionamidine) dihydrochloride 1076.9907 615.6803547 325.1181747 747.5617737 648.8008531 546.5738882 131.8325571 296.8365472 154.903243 605.9922475 772.4581994 395.3363851 24876.53552 25387.4806 25201.03479 23677.71185 24563.03733 23487.31177 17431.27898 15600.40327 14456.14301 12405.7361 12578.14622 13765.36432
3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide 71.60328902 103.4948635 31.86262971 54.72523843 24.72451538 45.15583804 101.1210975 125.5538699 151.9803279 191.2078032 16.13815742 83.27747787 763.8789081 216.7804066 803.159907 683.9053933 149.7946635 474.5470566 1005.889887 1011.057793 1197.480493 1027.126834 1042.720578 1119.219705
N-Ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine 5244.865839 5875.270092 2973.201553 4095.284909 7268.543107 3737.868398 3383.01414 2648.694686 3061.325455 2677.033539 5891.054286 5905.987473 35026.74455 32275.78136 27780.47282 22175.37107 22267.9556 15250.627 23648.27023 28875.15688 35280.19268 30534.86536 27795.46439 24465.67347
Eledoisin Related Peptide 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 79.87156676 67604.53807 67360.45391 70221.46473 65446.75698 67275.5264 7810.850143 6582.224149 8410.063932 6981.150433 6766.60289 7181.572064
D-Amygdalin 6062.859236 11682.70673 2736.983268 7665.811768 7260.354413 9927.098635 5312.752402 1946.337342 5645.997521 6382.06145 5350.934468 7583.567114 415.6481911 561.1818368 552.3742765 628.2691914 127.7858512 582.8850588 69.25172763 285.6650386 234.1380334 65.95423747 103.0534516 125.0397159
Silidianin 59611.73969 63950.391 58235.00721 52669.02283 59698.87275 55786.95735 59097.25795 58633.9991 64402.05135 60965.61181 56323.51655 60457.45622 1909.946239 2746.522961 1590.452428 2147.104284 1321.336095 2065.490075 481.3950397 494.3807349 913.4231922 1650.156327 337.5179161 947.6556166
Oxyresveratrol 9698.891843 6590.444116 6459.004631 6251.60473 6929.324555 6733.051772 9007.07989 9898.281245 10500.99091 11326.83841 11780.48551 11894.67618 233190.559 225732.593 239533.4088 304765.1004 209533.8412 207312.0168 234353.7626 257944.6626 299426.1912 269902.9417 269777.5706 374999.8745
Galactose-uridine-5'-diphosphate 34110.0357 27256.17673 25866.79189 28210.53378 27358.0411 27538.1657 41566.24366 47001.48672 36976.24982 43816.42484 41221.91979 40744.95215 80748.92178 79067.67079 91220.5008 76379.4464 84897.43797 82524.98843 74129.39907 63833.55791 71574.42102 69915.19148 65456.43285 75325.88348
17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F2alpha 444.2263784 301.1563919 20.47801439 127.7800279 412.6936739 291.7314027 369.9480265 764.313802 289.2227544 511.19106 615.8790075 401.8820822 1373.973365 2572.517768 1710.082992 1737.022525 2793.084083 2747.901171 5736.257865 4237.6878 5800.166214 5282.167326 6208.543733 5676.194952
Unii-72U0C7paav 88.25401854 73.59697252 150.6246861 278.6408856 178.8472049 160.1353572 32.43252707 628.5185732 765.0288397 820.323745 277.2353001 278.3266455 8983.912428 8142.899214 7618.46027 7461.515904 10670.01935 8124.516198 8501.29873 9690.174712 9659.785102 9518.721425 9953.964554 8438.850733
N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide 695.4476736 1295.658204 1559.468571 1525.35633 461.1270164 1365.604951 1424.64358 2904.413103 1549.198777 3022.942101 3858.89254 2230.936106 3009.193116 1731.244536 3013.845708 3564.611583 3185.281968 2797.505602 407.108599 1508.96203 2358.699954 1873.298363 1796.10675 1835.072437
Enterocin 900 1031.356284 1078.205591 1062.060553 1297.606126 936.3906745 1577.667493 775.3216737 504.7364702 405.4120849 388.5400511 606.5397908 412.1922731 17.70082507 49.73853312 86.7449238 58.27844567 146.1039009 128.9274092 49.1693632 177.4237562 33.22815042 36.69581086 27.948884 33.49324872
Isodeoxyelephantopin 2895.833836 1262.062202 6284.861478 2542.195751 358.3300382 6323.399869 1062.066022 593.5096275 4535.362099 483.4890342 680.4171497 1344.480547 127989.1408 118244.623 119981.9479 121721.0371 121638.8379 120882.2583 226962.2322 209811.9725 219188.1544 349214.4487 210920.7869 221623.8295
N-Nitrosofolic acid 56926.11799 54622.62543 54769.15462 61134.80385 49080.44215 59041.35326 57201.17311 52293.47207 52542.53489 51277.86794 59413.0996 50103.88824 31889.55516 22366.25087 19497.88875 19538.13015 18112.98143 18997.50091 20011.87997 12705.7967 18291.6825 25408.28507 17417.765 26853.94433
3-Dehydroshikimate 207784.4027 181295.8412 160460.173 213876.8422 172917.7493 186096.2726 165461.7483 201922.342 131816.1598 200297.3768 191540.1024 182479.4488 79547.25917 68162.2071 73076.79438 68863.89426 76178.12427 68732.39203 19804.83072 19127.42372 21234.30341 21518.39648 36335.7609 24460.01068
Methylprednisolone hemisuccinate 71445.78761 60960.51292 77635.70897 73788.91102 71375.02139 74554.48009 56506.23901 50987.4986 67667.00776 58231.01399 65185.1969 71272.91865 118937.8885 103302.0887 255168.6462 82984.33744 82892.72431 80427.13988 143115.6496 124399.3854 298492.5245 156220.9781 148333.2696 127667.7418
Ethyl loflazepate 23492.20271 22385.84653 21952.57895 28627.85532 19401.52871 23538.68121 18566.14119 19003.94813 14906.4738 19249.45328 21938.76993 20294.26198 257.4364937 257.3825177 955.3266109 1035.587365 246.6588642 236.6265229 1090.0695 205.835614 1235.02225 1829.700712 1330.95381 1300.778782
Procyanidin B2 26332212.99 25022291.81 24806626.73 25846224.56 25184866.18 24189904.35 27007006.86 26605523.9 27349127.57 27210299.53 26572211.39 26776869.13 3333377.996 3327561.754 3191073.08 3335106.949 3340989.766 3393094.434 991994.2453 982851.9149 1024816.453 1005648.05 1010194.054 1071866.635
N-tert-butyl-4-fluorobenzenesulfonamide 50274.94536 17245.41357 50069.57243 47726.97072 22473.45392 46924.88788 41759.18231 47229.69228 41095.22663 50870.38002 45340.1694 40433.22032 2273.211365 2554.580065 1661.190022 1525.04712 2720.096413 1653.453767 1091.124368 764.9612209 109.7386314 1176.795275 1191.056029 59.90467864
1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate 1278.661746 1000.183354 2559.299114 653.9594218 1263.164069 1411.722194 991.8246462 903.5239491 1187.74607 1495.133116 2041.987245 1627.245583 1668.769782 1030.30928 952.2736749 1048.247075 1488.514835 1455.423461 4422.540135 3283.099359 3683.727237 3765.94464 2757.232037 4017.153284
3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside] 77995.46901 78045.69568 75148.64713 76758.04455 72400.76852 75313.72531 1120.470556 711.8755943 3039.946826 83526.40277 3213.172407 3251.357172 62088.98016 63658.98995 63429.15108 66123.18707 61627.14167 63349.18012 47457.98362 46047.54028 48934.65772 48237.9311 47279.96401 48825.4937
Persiconin 389.3712196 518.5051212 37.23105069 33.48962603 58.23874547 578.0399911 1146.762999 1178.311754 1055.263525 425.7738498 754.7696148 1134.398611 45.1842291 53.68956012 26.52784655 21.85605429 12.39665973 3.823279116 23.84121865 23.3587625 18.25769827 23.43038664 6.317622191 5.888286657
Triazolam 97178.61842 94032.55334 125659.6313 111427.1962 91227.25729 86664.38529 107521.8121 106672.1122 114590.4869 93403.18423 129366.6128 99146.33912 211.0954825 114.8445191 75.3599293 248.4998295 37.844037 302.5338231 29.75015762 268.4066256 162.422604 205.8496711 1362.465665 556.9399362
2-Hydroxyglutarate 2567.454378 2956.869856 2308.453168 2429.591904 1608.259165 2311.018582 5148.625603 10437.67027 5332.626869 6297.701772 1958.313075 4263.964668 12006.94182 8861.95778 13237.1039 10423.94819 12929.57131 11402.05915 21447.84925 24228.25502 22499.10843 21490.50549 22558.44439 24441.89904
Bromadiolone 6557.769379 7207.984607 7007.630267 8875.849849 5662.974186 8579.931477 13858.28284 14607.2462 14184.45443 13542.34428 11047.31756 10425.73443 235.3901469 177.0080411 61.11441983 290.168177 363.7027097 571.5651927 790.2610473 34.15928453 321.9682038 481.2110993 609.6508047 130.054555
Rosuvastatin 268.3380035 1625.857079 148.5923965 803.4994179 240.3602313 49.91010114 4730.578915 4711.22326 5011.372848 4879.207661 5645.706374 2847.875999 17001.2048 15350.97964 9539.829935 9451.599911 16905.33727 5221.582224 10138.18072 10513.46735 12698.22484 37636.20871 6521.72693 10564.22035
2-alpha-D-glucosyl-D-glucose 225.3332553 71.13229161 30.34111015 187.4430696 263.4609512 91.56252337 534.1436814 87.65144543 444.201135 12.13636777 37.62275176 363.1735635 8128.875935 9425.646516 7806.811627 8792.373609 8705.446277 8226.050483 3346.012311 3456.239548 3635.974524 3224.175059 3123.391067 3810.901687
Orientin 109904.6624 111849.4474 545.867927 5360.923306 1193.451224 115612.331 215739.0193 185194.1194 200238.8154 99340.92569 224685.7904 217383.9654 491.374256 634.1336843 533.21016 903.1929936 217.5796232 309.785801 58.96539906 41.56166456 529.157088 26.62007718 187.4929092 2695.635306
n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide 130081.4482 115776.272 118797.8525 122822.4414 124108.8952 116472.1814 88994.59664 79582.34195 42890.63979 83464.57104 89753.60416 88400.14762 337623.6277 327106.7716 324195.0671 344547.6462 331088.8248 324151.414 84477.21323 91140.62825 61197.13104 95222.46677 69879.87257 49199.84815
7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one 135.7324255 11645.80642 69.78204088 75.55421728 14566.95982 15663.04452 17.51371896 155.2129907 573.4417419 27010.76952 35560.77166 37963.12077 16184.24834 437365.669 418776.133 450428.6624 423346.9604 441531.2413 1342525.902 1367212.594 303390.9115 1347402.898 267439.8707 235630.1452
NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside 183292.8564 176865.19 176246.9557 177199.6224 171043.1201 174654.5508 196888.5444 205682.5015 197869.6634 196971.7311 200505.1177 194156.9981 12553.68701 592.6512971 31.70481358 16172.76274 423.7445471 1201.976057 6352.7029 7376.563025 3854.537588 9287.194492 3119.256033 7782.619581
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)- 234.7532644 252.3686827 408.8411617 435.328218 390.0539812 278.0103039 1.274946716 43.41432289 14.66222472 291.0141214 42.06122507 52.03971527 43.03725121 66.17153195 43.57050827 42.34758678 46.77354733 48.63134715 20.36783391 13.49136726 13.11409599 14.40204859 12.59369256 12.39009672
3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one 44072.30903 44519.21452 42963.78347 44432.88195 20084.53365 44740.05138 22556.59739 21448.21916 22255.30182 18667.23812 24249.70289 21573.74253 32246.92558 40170.73003 33561.07085 38247.21043 29025.27606 32998.20603 4664.941586 9692.235044 7410.791729 4732.017179 7881.291822 4067.527816
Bumetanide 104988.5154 103664.4758 120405.5433 104209.8302 96570.77286 105523.6187 101111.8536 104814.6379 97498.05868 99149.8495 127923.6343 100992.8422 1062.783947 1137.857845 1019.343316 365.6385047 240.7680755 1077.85533 1733.334803 1159.478782 1122.340277 151.4146671 769.7877236 1402.370999
Cyanidin 3-O-rutinoside 28214.94492 25959.9822 26262.42498 26320.48298 1272.222058 30762.10968 47233.17917 49114.36447 46835.21951 46485.41755 68817.85494 42849.04941 38753.17644 34660.43331 35586.6149 42212.03015 39981.98018 16441.94014 27190.08127 24728.73551 29720.38339 20517.08347 24122.51837 28765.04845
CID 476785 151168.1957 150090.1839 150984.0783 140855.269 135629.6368 142216.1848 136271.421 133430.3115 130866.2995 126198.3689 138003.2007 126950.5909 4238.950888 3851.548827 395.1369395 4759.447303 3979.702294 245.2502781 458.2913685 222.7574722 269.900908 541.5998352 551.3164893 699.7173244
Diospyrin 11008.93045 11240.74242 11895.28687 13561.45326 9415.337069 10547.18137 1140.969542 1290.53271 1256.669196 1356.836217 1329.346301 743.4377478 5336.127092 5097.615772 4682.49097 4307.927522 4973.957109 4700.26499 1824.409529 110.2948224 1634.577259 1412.391556 2247.163195 1861.260744
Pentacarboxylporphyrin I 28.84967775 71.46306974 113.2066545 71.25672422 15.00472552 176.9597178 57.95861033 129.8328042 163.9646386 20.57775155 126.6161994 90.02706044 1022.998146 1455.296687 2363.934795 1106.162998 1747.304145 476.6117831 133.8880703 79.84621276 126.8969454 60.71116494 162.0507178 33.0103501
4-Chloro-4'-hydroxybiphenyl 177013.9836 179937.0459 185788.7803 177781.8651 188020.8444 171175.2458 160022.2856 150557.6269 152724.1869 155720.8923 152970.5085 153272.0876 120526.1529 118774.784 112439.3751 120767.1699 115370.1313 117661.0069 105928.9443 110766.1935 110995.2431 110168.241 111433.9117 108091.5314
Imidocarb 48955.14023 53074.84682 47888.03406 51815.46259 51349.9914 50296.81981 57139.26439 48299.24587 54838.69007 55196.75774 60571.26503 56778.81742 64666.11609 112507.6449 122266.904 131737.2053 108265.8657 118535.8118 124086.6829 120416.3672 136258.0833 145394.3881 131286.0393 155322.3957
Nicergoline 51376.14996 52597.48182 52269.42683 55503.63594 57871.21162 55036.74398 11754.39363 13300.88679 12786.24772 10879.28158 12408.96555 13734.76124 25924.8032 18633.68151 35977.38086 28791.28429 14494.75772 24652.29622 32433.69624 50250.68472 39030.48184 43460.97456 49375.12806 57707.30609
5-(4-Hydroxyphenyl)-5-phenylimidazolidine-2,4-dione 8755.723876 2491.479528 4773.520378 5948.497065 5228.169458 2797.224959 8131.471651 9152.557374 8372.116675 10013.58817 7820.341018 25079.94586 37670.56766 35710.53149 34902.31487 38610.4122 35547.84866 37099.19271 31333.06356 29613.75918 30929.18937 31815.10164 29873.61389 32848.74399
Loxapine succinate 23882.29533 31345.01805 10392.75972 16905.84796 4099.8808 28227.23461 45028.84771 43458.63541 45489.13529 32902.34156 29225.09183 47499.34152 25558.5226 47041.26899 47488.47855 31542.04651 61510.03565 60879.05998 10668.25676 6079.634875 7417.504969 10891.47667 6262.035202 10478.11575
p,p-Bis(1-aziridinyl)-N-(p-tolyl)phosphinic amide 3951.096519 7123.369495 5545.014459 6255.034611 4132.023696 2779.665374 3548.943555 4045.400528 4128.247547 4401.79538 6481.941044 5818.46788 6349.219614 5442.815999 4059.908422 10295.25011 1771.125741 3941.828409 3329.146292 1476.736377 1091.526923 78.7295082 1149.055048 600.030124
N-butyl-3,5-dinitrobenzamide 6418.114967 5097.57938 4882.346681 4059.712318 6225.535215 3801.502557 7064.256146 8993.044923 5351.85478 8530.251706 7198.435867 7651.939678 396.8791205 2270.176232 1739.216689 730.2987766 2721.227172 1342.791636 1673.370314 1017.277692 1924.36828 1481.949729 1978.718703 2306.017074
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid 17673.6328 23081.56742 16935.84272 24075.00694 23418.05179 19579.68399 11049.56014 13272.21846 11386.06072 14004.80331 12170.63536 16325.05982 10687.32507 11049.91401 10195.1302 10865.19158 11480.819 11287.39737 7990.444024 7417.590217 6880.201831 7160.591464 9219.433542 14877.52501
Garcinia acid 41650.97674 36790.52968 37323.28556 42713.5246 34096.50378 44289.16281 22143.7668 35076.88362 22590.11496 40653.26647 18053.07302 22620.90989 27126.31597 27408.4184 31362.30791 23018.68539 23185.47927 3194.244583 35784.4222 32114.59175 37208.44989 35610.8521 38988.05144 28890.6841
Geniposidic acid 89321.87683 83413.03914 86755.23759 84917.44812 89007.33689 90612.40415 124280.8823 124080.8848 130395.6418 125244.1207 141802.3116 130607.709 38310.3904 45175.56447 42655.30708 42081.02176 37039.28253 46509.48974 28291.93297 25917.53929 29403.45296 25196.47962 34119.26837 31124.78652
Naphthyl glucuronide 5022.51139 1036.311576 346.6169591 983.404708 990.817276 163.4554714 503.9906228 1254.64493 1795.764799 9091.690989 302.9554631 2697.109139 144558.3267 145409.8409 148582.8891 149377.3211 141494.7538 140202.8571 150027.3415 148208.7091 159130.7657 156513.8039 152676.6968 153527.653
D-erythro-D-galacto-Octitol 1103.625627 839.0649231 693.5254191 1223.425 931.5464326 831.214413 1673.325663 1769.42908 2345.849828 2153.812412 2104.002317 2668.201081 11724.23381 11899.80358 10248.44428 12301.64578 10270.52419 12562.15377 20446.39193 19246.14779 21728.49592 19870.79758 19706.41877 21174.60794
2-(Methylsulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole 536.2830478 103.3472105 393.8459427 405.3256725 190.830015 472.6382235 89.90909268 280.7628018 281.8935932 240.9703808 401.490023 111.8981778 3437.283758 1723.957049 2608.620501 3462.540873 2280.842043 2612.692998 602.0042874 173.257135 457.367573 227.2160213 301.7349739 288.540251
5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside 3631.677719 5002.399597 4754.770502 4707.368975 3586.698042 3216.946976 8379.975474 7633.084558 7823.543013 6619.333549 9693.669759 9738.306641 502.2779917 4580.444132 6036.955425 5802.928081 5412.888315 4662.635836 1380.620409 1683.299727 944.5482016 591.2029178 531.9850268 626.7141546
Ensulizole 199.0328324 7831.574622 9050.172774 118.2984995 118.9246923 8982.734307 360.1103261 9983.402576 9147.327661 395.182971 9569.991263 9267.877175 173738.0715 180750.1807 164672.9941 191477.4924 174078.2331 174945.7203 170229.6592 166617.1933 174130.0517 170145.4538 170142.6596 169706.5146
[(1R,3S,4R,8R,9E,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate 1133752.853 1100846.363 1058600.24 1035834.059 1046220.288 1083405.357 2303117.232 2272792.468 2291951.59 2075916.829 2098878.307 2078826.266 478.5732301 2041.522524 1796.555245 2594.227826 213411.3962 454.3149424 705.1155758 604.1557178 1313.586781 2241.610464 942.9898826 1281.107316
Suxibuzone 173233.0867 178976.2681 172422.0621 182722.571 164666.179 166343.1491 115443.0274 118124.7904 144192.4752 115681.4306 154803.4015 146882.1753 6115.838354 4277.56476 2404.914857 1409.352531 4606.805484 1530.800109 20931.59561 17162.5001 10928.72508 2780.27997 5593.669063 18439.94945
(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate 10551.14435 10314.70397 10604.65296 9945.3001 11029.80879 10693.0316 10228.49862 10317.52259 10444.34001 10276.07151 11941.78062 10667.23259 9796.813138 9816.072307 10006.70814 10494.69533 9011.373978 9241.105159 10274.77117 10644.87682 11008.54458 10316.46934 10061.40723 10871.84684
LPC(0:0/18:2) 130139.1098 118048.0918 124710.8892 125791.669 117604.053 118113.7918 98990.56458 102524.1303 105614.1425 99094.32826 112380.936 107507.5591 422628.9411 429178.7572 386386.3239 414388.4684 402285.5605 423307.4012 1198161.811 1117310.081 1191152.6 1181905.135 1170654.403 1251698.392
Glucodistylin 19167.61397 17953.58499 20907.45735 22464.57604 22656.28591 20987.33616 19680.84287 19376.67699 17758.79843 23699.76403 16750.76227 22983.42411 43573.79554 46717.3577 36643.35458 45958.13861 46961.36695 42675.12556 24024.36089 22873.5411 24629.23982 23532.11861 23218.04871 25204.21765
D-Mannose 1-phosphate 159820.5784 140118.0693 134376.283 142338.8036 143462.8809 137727.9546 202696.5797 177040.3533 219433.8739 197729.9964 234317.852 195862.3693 111061.1266 112133.6485 112303.3538 120792.1481 116221.0826 123360.6649 187851.7819 194035.2966 193354.1606 209196.4354 202646.0149 209251.2892
2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-(octyloxy)phenol 308.4290706 215.0244176 292.1251588 241.1793707 250.0728895 398.2209888 512.8452104 267.697713 265.7896471 274.1871531 422.796376 273.5575594 6288.33579 5602.165498 5031.262848 4972.219992 6768.634753 5089.608948 9426.128157 7843.015405 9297.070657 8560.989069 8628.962344 8062.262794
Ketazolam 455.3430165 690.6369371 244.6429002 454.8243636 1433.190878 440.6507794 700.7226054 679.2796937 906.4698672 583.9959566 45.4605669 267.7964182 14212.03266 14956.36218 15380.24657 12762.4507 13799.44704 13297.02008 25833.42694 25107.69965 25026.92643 24662.93114 24445.60919 25739.49395
Dihydromyricetin 9534.01452 12122.85936 11012.2082 16366.24071 11121.19999 11337.03072 12436.74809 11146.93991 13248.32055 12376.31978 12378.06707 11971.46344 29251.93182 33397.34142 43399.32532 39701.28921 30147.65557 38955.39807 35474.98917 31926.53632 29633.41462 33562.96714 30817.71291 30393.4354
1-(Toluene-4-sulfonyl)piperazine 9612.337685 10030.64889 7256.490336 6901.570048 5034.207373 9209.019692 14126.67914 18789.62656 14935.80631 20360.03739 14776.63609 11555.38732 2917.3767 1433.391808 1122.799919 1592.873659 1407.501185 1686.898808 864.7301736 236.8883051 81.45219504 486.9963768 1089.13832 247.6742951
Benzofuran 250.7778 156.9768936 706.149292 194.2872056 33.20959037 135.7647596 460.3786281 86.5844537 173.9984228 615.7045163 809.6011217 527.4923674 14597.82104 13261.36399 13691.38686 14865.75582 13715.16727 13392.30954 22663.12994 24354.76524 23754.91053 23508.79321 24782.41336 24640.8753
2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol 3734.117839 690.1973573 2858.098016 3565.831126 3919.425568 3277.978716 753.9655126 2857.864692 3130.425313 2778.289702 2693.600866 2862.005188 419.9865207 461.613031 481.552248 555.6931684 385.7745679 459.1629554 1.828964831 4.899003628 0.979804716 8.42633455 3.91926654 2.253551325
Oxiglutatione 755.081372 424.6015147 611.4784112 6049.317983 543.6903971 1265.95169 3499.079393 2941.025554 776.26112 2926.033088 5423.842214 1271.221528 217196.0107 223185.1359 145808.4211 221685.6202 222223.6861 205574.2836 76304.56666 108402.5597 68783.38749 70343.18406 88679.19796 70333.9851
Cyperaquinone 45345.06565 42108.21907 40764.94382 43950.67231 57881.88563 33554.95977 47218.24949 38157.24145 41401.78064 44799.24453 41383.54746 26145.54626 54813.74675 33386.82773 11220.67422 12397.32857 3399.749431 16949.20598 18630.1854 10812.0581 48044.92449 16559.23592 22669.15211 28538.74489
Udenafil 4464.351331 5710.230253 4503.357113 2216.36812 4966.050148 950.4941264 1569.098513 1679.92274 1434.818672 2681.264189 2194.71286 2680.069392 3103.105991 3220.701922 2036.051669 972.422191 836.2567748 1165.160075 2426.997219 1211.412003 311.438897 1139.755101 706.6421377 1326.442131
Myoseverin 163.7908052 172.6909193 93.98526586 165.7420226 88.42364453 284.3612366 328.3602454 193.0627058 623.4477814 75.63273458 119.3461823 258.543763 1251.634657 1244.60772 920.1986475 876.4227403 1319.286816 1282.810323 3970.105628 3654.493689 3000.638821 2568.181169 3818.941856 3485.170592
Trimethyl 1,2,3-benzenetricarboxylate 1321.626626 2281.638217 2217.49189 2901.055957 891.1777501 2533.489061 6034.701068 5195.875769 9046.527451 5455.3747 4340.279963 5331.927157 778.1065423 1080.036391 757.7320388 1098.90529 1130.54217 1225.941089 985.480904 1228.993758 1190.168481 1129.406432 1403.17688 1266.910667
4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide 600885.5733 667095.548 596389.8583 629929.9789 688345.1857 607734.7198 568603.2285 527747.7555 543932.3416 496858.48 527244.6527 522180.6113 11024.9291 297.2771122 155.6388623 1177.077932 602.9031802 275.635269 516.1622788 225.3665186 853.9779581 257.146828 195.9713553 90.68441007
Caulerpin 80611.45161 76606.42107 75668.99488 83797.64616 79822.48565 72908.46051 65853.38827 67484.49772 67414.59901 67307.9071 68680.62482 64991.6597 9383.410273 16522.51792 19532.51775 22389.59925 19283.32456 20106.76009 44017.84895 36484.14362 40228.5366 43494.81251 41238.52533 41700.2047
Apiin 4356.310049 2743.135284 2190.525666 2151.410337 1616.358669 4592.527432 1361.122538 1596.591845 991.064096 1449.842827 1685.583655 757.5276098 12679.69723 27725.19116 25827.54028 24378.71964 25244.33859 24639.7137 19881.31449 17882.59702 18467.57643 19345.31593 18199.36594 21017.91652
Telomestatin 37811.49601 154.8680638 4110.161754 5370.501775 5270.852323 5340.710417 87405.71422 89305.44822 82117.45349 84007.94171 88940.24826 104430.7025 785145.7972 807785.3847 919101.1713 882981.5303 929301.625 956404.2301 335097.8381 344545.6711 387035.059 400329.5048 391766.3494 423349.6004
C.I. Acid Blue 9 80782.85799 54995.07253 61029.2006 76635.83619 59395.45176 81145.2099 8782.430893 5994.781151 10371.1234 5718.039618 10351.53373 8288.225222 809.7374132 989.0019606 644.3221813 619.0960559 716.1420743 1385.690583 441.5979424 299.7120581 419.0540304 377.9346946 583.4222071 431.8530194
NADPH(4-) 1164.036759 1050.253888 647.0351908 1145.967477 787.8788068 1167.166218 1671.048499 3214.352723 1498.709376 2509.276127 2503.708084 2536.205517 1836.97217 2728.788338 1667.252157 2534.001784 1552.972361 2404.383323 572.0324682 407.4275843 771.7037582 330.4454886 389.7698014 649.1861777
Sedoheptulose 7-phosphate 152423.7161 145976.7083 150518.4469 133157.568 136678.8119 131187.712 220683.1272 198996.2601 196612.1202 223116.4665 206616.6559 214760.4007 4148.141422 6532.967369 6224.085985 5995.207312 5024.991814 4910.814288 2642.86437 2899.243032 2579.125901 2570.80571 2784.117004 2209.621702
Dulxanthone F 59215.70441 59926.42152 61251.72938 57551.35512 57401.35225 59169.72073 9429.953464 28488.92304 23508.13457 25644.0964 24662.1895 5978.120161 91.02100756 35.38609324 38.33486633 1625.251009 29.78904765 1869.409342 297.6615466 175.4073473 172.1631605 336.2860919 514.6721414 63.25297362
2,3',4,6-Tetrahydroxybenzophenone 65155.96447 71077.47727 43069.74015 58857.00936 45960.09626 45308.3183 18166.69666 20859.78983 24887.1074 20768.65944 12103.63264 15927.53533 74763.40504 164498.9843 150801.9547 159511.7439 178552.3386 173424.7476 154060.5347 162240.0405 154077.6692 155707.3084 159008.2827 161451.9488
Acadesine 504.1854899 533.3577722 338.3253701 390.0172754 149.0163597 191.541817 741.0579927 698.6630157 682.5803874 896.7854909 585.556683 1211.399186 18055.79913 18556.44768 18631.54755 16787.25813 16885.16006 16887.82275 2652.732609 1781.496765 3829.755647 2094.877221 2006.404956 4816.164006
D-Fructose 6-Phosphate-Disodium Salt 4583.81692 4833.800591 4431.628596 5872.210697 4190.447163 5087.785485 2715.30881 1823.425324 2633.973003 1359.166779 2344.914703 2532.435801 4082.392458 2691.430332 3909.003412 3090.058934 3034.187886 2227.043136 2071.033352 1143.746207 1714.013084 2375.748569 1530.366678 1561.542128
N-(2-Phenylethyl)indomethacin Amide 169437.0058 169693.2179 181052.8244 181160.963 174298.3848 169993.1761 211563.495 202867.4979 206007.1725 207216.7051 219362.2163 205650.085 110238.8921 118798.6599 108322.9479 110776.3146 110339.7838 117810.4494 77847.83873 70979.59656 79765.38536 76882.3959 73025.02137 76375.0121
N-(4-Acetamidophenyl)indomethacin Amide 4372.898416 5330.63108 4956.149991 5701.297954 4833.772641 5738.591681 4975.913865 4857.306665 3824.977368 4362.028391 4275.676406 4424.596587 1511.961989 956.0194198 485.4063748 1372.534406 657.0530518 1127.740863 2909.601097 3594.002649 2663.364977 3093.12011 3274.828427 2751.892105
Uridine diphosphate glucuronic acid 16655.84141 11983.73472 39454.16738 15043.0456 14633.90091 14552.42497 21277.84531 22737.33503 22252.67858 23335.97384 21249.05526 25683.92617 31484.51107 31337.73491 35310.93829 27621.17796 34663.03882 31893.28818 39768.835 38175.83213 53085.74074 44069.16434 38422.70155 51762.00093
Naproxen sodium 139.4631926 42.28882299 330.962253 221.9418875 130.6318601 172.2229304 169.154473 309.0665942 362.2612732 305.5888113 408.7373384 426.836702 3807.599534 1240.4661 3219.035202 4432.804362 2391.846445 4412.116172 13559.96988 17346.87851 14207.34177 18987.37361 15067.82148 18424.77035
Hexaethylene glycol 742.1718265 1229.875302 1197.796835 537.8697871 517.8023408 944.7329151 222.6192043 429.9759466 127.9606112 570.2970758 578.5835315 540.4054496 4277.151567 3777.690589 4451.701535 3827.674353 3670.420952 4028.202131 3189.744271 2103.76059 2529.535144 2781.918785 2100.585581 2876.311536
2,2-Dihydroperoxypropane 614.6244806 487.5434996 925.0271791 1236.861028 946.6589457 935.9208268 279.3758241 152.0661132 261.4959549 349.3140175 140.8462047 145.4840139 706.4009898 839.692249 813.8148226 919.6515989 1022.051047 743.3540769 2022.413924 2508.892388 2018.071554 2372.99269 2519.004826 1884.164935
Rhodojaponin III 9,11-diacetate 41145.4988 25299.725 44459.09163 35653.39941 36240.72625 38952.78062 27375.57809 27681.98471 46669.82729 30104.77276 34254.02977 27975.52265 37752.85823 43830.04699 48178.64709 41777.85219 35049.38944 27316.59626 61266.70697 48234.70415 69025.28417 61075.34699 54081.46071 63705.31138
Chicago blue 3409.915746 5171.714989 2119.870899 3690.760391 3153.395128 3578.242474 3003.293522 3405.552454 3304.081062 3936.690595 3383.616515 3276.19454 4449.084047 2941.624506 3268.662869 3641.768823 3850.013493 3304.210554 2677.076318 2709.417432 2493.484042 2772.238933 3002.449111 2760.551957
Sulforhodamine B 276.5897831 450.3559434 1447.51678 354.8629012 396.631239 399.8192307 159.4177501 354.2256318 200.1405955 825.4622544 440.6287623 1232.450431 23119.59066 21353.41678 22606.6016 20369.59577 19012.47351 18319.45158 14142.03194 13105.92702 14434.02906 12820.89909 13603.91936 12932.41809
Aquayamycin 3195.442985 4732.426766 3637.003274 3981.893061 2538.560284 4388.728279 1439.498038 1770.015325 1839.179298 1710.007221 2246.243087 1812.835406 1876.12626 2823.191713 1546.049113 2752.963128 1373.600971 3396.243642 1529.526228 1323.077196 1153.796343 1826.758165 1785.050468 1502.95777
Se-methylselenocysteine 11059.09663 11209.3343 11591.42185 10186.37448 11003.85263 7891.592602 2851.541349 3532.010735 2997.076606 2976.506175 3035.83613 3289.283247 38439.12231 33254.10418 24277.07534 28418.3354 23290.05512 26297.28715 14793.94976 15636.04482 16990.57848 16013.16329 15914.22334 16309.22754
Fosfomycin sodium 29994.77934 42442.37736 48784.33666 45614.93869 43564.8939 40700.51932 63167.77942 66483.38897 69315.74245 69226.63138 73440.5795 74437.9922 186.7967387 2477.897866 120.8480028 307.0107602 53.98736486 270.7445205 1479.521011 1190.988097 1404.607979 1128.333613 1159.335973 1616.332515
Allura Red AC 6251.795148 5333.592468 6542.482705 6001.260089 5147.098514 6730.880968 179.3007513 434.834757 1341.520148 260.6453907 455.6560148 327.5886202 15222.0951 11080.29251 11886.2101 9317.307293 9708.902524 8208.041504 130.2951165 234.6814306 159.4908757 134.5450115 34.83157219 100.1660832
Gentianose 624.4401452 1216.331504 821.2187657 779.6433717 419.1554726 1440.64437 70.54689824 1932.530833 608.5794483 897.5170887 3351.061506 1018.842383 32204.47576 36839.16736 31334.83401 36202.74519 32913.31426 33912.10658 44215.81816 46586.43649 45115.06116 43188.62842 45571.19813 42419.17312
3'-Hydroxydehydroaglaiastatin 1069.628619 42.67158176 190.4838568 530.0688671 432.8257502 33.54229625 950.1826283 940.0705615 1069.440096 1187.993818 1220.144203 2260.306887 27948.85588 27494.16948 25478.95169 26940.91352 25337.01378 30298.88928 8318.214224 5068.828402 6382.187009 6625.72206 6146.085779 7124.929923
Indoleacetaldehyde 50735.37191 49222.07528 50224.4894 48099.36496 48348.94492 50243.65672 41780.55327 39622.86806 43523.59009 42219.20447 43597.24798 40073.25273 30236.42244 30730.05244 30038.61034 31749.3583 27913.41168 30718.21032 24007.9074 26144.11397 23235.61616 26592.78866 24737.90203 23254.05157
Firefly luciferin 215402.5821 209922.9325 219588.6462 212736.2911 210691.8052 213842.0222 188351.9981 176260.5243 190111.8247 184681.1424 180808.5899 181075.1736 185313.4593 188501.41 187071.6978 180245.0494 168711.5158 169554.2076 199650.1977 201429.6856 206961.6831 205756.7502 203878.8219 201755.0826
4-Methylumbelliferone sulfate 102810.0013 106402.8269 115631.4844 101901.5949 79265.04947 93233.51832 39375.89345 36422.19002 38679.72654 40151.13205 32401.57158 37009.49092 76077.3476 107820.5978 90486.0664 72665.2208 71997.82228 63552.21948 51813.71693 45611.15158 41711.63161 51814.56604 42772.61117 46690.8771
3,3'-(1,3,4-Oxadiazole-2,5-diyl)dianiline 149.5313559 666.2289311 333.9016321 81.85863669 225.1596128 136.3908516 308.853102 654.255135 883.9206472 782.4346455 1017.600854 161.6943507 16400.76246 9949.575127 9613.375943 9553.300393 10656.82556 8029.983623 14130.13583 14694.65312 15254.00513 23860.62637 14785.86802 16139.86116
Fospropofol disodium 1728.567909 2775.662953 1460.199211 2590.819401 1709.037899 3128.827507 103.8560196 357.2230484 257.1186029 154.4262702 145.1131303 209.3930629 4236.288184 3597.711824 3196.506564 2728.579107 3269.228959 3218.580425 703.450502 518.4987851 168.006313 316.9989052 73.72117555 612.4022782
(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid 3265.280828 3014.751633 3095.060453 3828.914696 3094.112353 3046.466911 159.6554427 170.2598946 160.5706026 160.442875 200.5913371 139.2867631 8.769829659 42.6856297 9.020391637 27.06111283 19.73204087 21.67395569 11.02488431 4.259608181 3.006794146 97.30675955 10.02265732 78.75585427
Methyl 2-[4-(nitrooxymethyl)benzoyl]sulfanylbenzoate 311.4627139 305.5122198 180.0820968 162.7249505 216.5773144 427.2621597 61.27458145 193.4694923 247.1996653 312.1197129 114.4523796 291.7601667 971.496231 972.6563793 687.3234613 750.6230259 792.9436261 409.1680588 1180.338549 559.9923858 1164.389874 839.867569 473.1420604 981.1244848
Phe-Phe 13377.10401 15250.47173 12528.56891 13628.40753 10383.37841 11432.02207 23162.96738 22610.04914 23209.27428 29120.91914 23972.68444 19798.99749 226025.8125 231189.7196 223900.5133 212646.1747 226104.0784 222056.4472 97578.88897 98490.39921 129418.922 117532.4278 99345.57715 103047.0124
Phyriaporphyrin 29927.13019 27731.12215 30480.3133 28703.56717 28008.47733 26238.65519 18823.72099 18711.90461 19028.68507 18907.97673 19965.54976 16295.46844 13787.30421 11056.4704 11269.5898 10089.06066 10709.382 11042.89182 450.7349488 2136.270887 87.56951331 1793.576915 971.5632471 881.8717227
[4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol 128.5717645 4975.811387 316.6281345 4999.551062 3624.703349 471.164086 2491.764979 5637.673377 1797.248062 2824.654506 319.5794847 155.7811407 356301.0925 215802.948 198414.8015 226563.1682 218198.9645 205204.4341 317466.986 514797.4166 320086.4676 305646.6298 304730.0753 322648.5678
Tutin 58430.23829 58467.86556 56297.54414 183.9200219 54238.97325 56421.21232 62260.6733 63144.46178 61607.11091 13805.35561 159.8887691 62434.36408 46513.9059 10265.64228 10733.87812 4206.582368 2849.734023 3047.312604 35553.10747 4727.061941 14165.73964 3453.312357 3606.970133 119.8383451
Lonicerin 10812.71808 9928.088817 4989.101334 10022.13878 4601.736238 12457.27304 3410.067625 2945.289769 4381.044351 17225.5502 7301.886962 3162.431908 15008.71436 56010.32601 47556.62812 52913.04026 55297.42798 51633.25543 12873.7427 26481.74519 18137.75637 19541.35264 35068.3524 26233.90014
Cerberin 353.4175232 102.3745204 123.8349676 219.0082906 252.5648155 132.6815177 216.42481 5.514902127 208.2197598 93.64675206 245.9895739 20.68079891 452.8868982 535.8636113 716.2446531 510.011246 439.4672856 148.7878761 1853.214819 1966.017719 2210.063033 2372.317546 2414.342685 2627.737847
Bruceine C 8012.446985 4356.192648 3371.619915 5076.541718 2238.187779 1720.711941 3572.397356 4228.034942 1619.74404 3223.027624 6481.423336 4907.43792 73912.67884 64951.23984 70887.71792 69818.70842 65844.33912 69294.20179 4896.748913 5111.448419 4779.302748 3215.271826 6345.928766 5796.670519
Afzelechin 183204.9515 181305.5593 176562.0395 179531.0464 168970.0454 180068.718 96557.50332 98903.41666 98527.4045 329343.6583 94257.9625 89953.92767 76458.03297 87671.55883 299766.0666 77589.96334 78949.79674 259151.3616 145926.2824 234535.5008 161419.6192 243476.7483 157853.2522 150503.0039
Bovinic acid 630.3080298 431.8250365 321.7167929 288.3778854 491.2903408 472.9167353 182.7572937 648.4285321 785.4517328 411.650949 621.4062932 966.2848288 2344.856778 2300.496587 2202.437325 3026.332457 1877.43528 2327.047686 2520.209047 2603.758399 2575.857663 2750.84116 2919.990158 2436.233836
Menisperine 6462.287341 6205.082604 6357.785618 6305.998267 6908.326627 6382.479971 4632.301608 4544.895408 4544.892308 4646.286244 4547.987606 4236.796585 29.63370657 665.2326053 922.1824307 775.2792091 597.8325897 811.7298983 639.2153819 740.3922673 605.18183 807.7584776 1081.243521 766.5640613
Food Green S 73257.54225 62518.95131 59480.43675 55575.48696 56754.88997 58383.43397 32811.31063 30878.4193 31551.83252 27704.26808 28265.46555 26996.74244 2209.03484 301.6161737 417.4174121 97.54208292 232.7659875 209.613685 35.3462964 222.7037838 2735.664467 189.9886003 3109.948127 236.1172838
2-(3,5-dichloro-4-hydroxybenzylidene)-1H-indene-1,3(2H)-dione 1625.867889 2800.859731 3198.178383 3939.803679 3024.026842 3238.469827 3153.260775 3280.179464 3933.14731 4095.545052 3543.542288 3183.964416 3324.588178 1835.002735 2046.399898 1637.137383 2437.138582 1512.200311 1670.058353 2452.473995 2705.748168 2608.81871 871.6147818 2568.855904
C.I. Acid Green 5 14556.85532 10316.47439 6478.361847 10320.71307 7082.941171 12910.39403 19719.10399 22672.38344 22677.26336 16190.37925 21518.45351 29908.25309 77073.07188 128021.8745 121693.1215 55336.53213 54547.34913 67679.73399 48756.31459 22657.0861 23809.99083 26467.81311 23467.22786 44980.74756
Derenofylline 17537.6305 17707.90499 17812.22184 16171.56555 16413.69134 18592.79702 16194.59303 17203.14285 16205.01763 15899.82923 16154.9239 15631.27514 12404.84198 7447.247324 7837.289315 8657.571161 7750.051294 8340.975904 10211.21055 10197.84344 10476.98218 8184.399474 8735.57968 9191.927326
2,3-Dehydrosilybin 88806.53111 94261.43121 100226.7893 97990.04092 95203.59082 88728.7071 137857.8382 131157.2275 143218.4545 124647.5606 132321.2286 97042.62974 3916.03414 4152.097568 4083.149828 3516.800286 3856.834886 6579.682454 3776.506366 3029.411583 5288.705279 4912.87528 4970.532569 3119.244548
Acevaltrate 2013.04429 2222.803747 2119.525173 2143.957674 2115.502782 2131.565791 62.01468533 78.08012985 37.04932996 89.22694061 64.10257561 29.44141719 6.369560874 5.939017724 27.11466219 64.77024162 1.008511903 3.503257597 1.698548253 31.38329187 0.849272781 1.061593751 52.16705489 1.273909917
S-Lactoylglutathione 1169.452986 1903.863208 1715.144102 1703.024519 1533.084044 1497.929631 534.9071122 470.6632755 85.09007718 551.6336981 200.967308 681.3290765 2231.744962 1690.792599 1975.984471 1976.225963 1317.443308 2704.962562 5737.057453 3695.122295 5497.965025 5704.434609 6340.119751 8160.393067
Clobetasol 4274.497872 2154.528174 4514.014559 927.9257226 3727.889383 1850.284853 1001.723229 5710.288917 6641.220186 3703.084721 6455.413708 6111.780048 58894.97404 52139.62211 58833.51431 45409.80696 31921.28405 38777.6505 202524.0329 207520.8555 202385.8825 206374.0483 194315.6607 182338.6329
5-Methoxytryptophan 204889.5582 204347.8783 199318.2669 190960.3011 201383.663 192367.4382 146667.7334 137116.9612 170402.1616 133198.3459 143223.3203 132675.4533 145.4975185 274.3039105 174.6764271 53.49320778 64.85547676 208.1425181 144.6045394 623.8551629 882.9410281 806.8124302 526.6666419 6172.992253
Rutin trihydrate 24817.70621 30622.66974 26669.1458 28206.26205 22643.36207 27049.5752 81636.77688 79399.26006 71445.319 79323.78031 87258.77634 82281.10346 535.7917154 861.8922753 1249.809024 4283.985739 2202.163591 4417.085442 76.65549351 226.6827146 254.8759031 419.4096022 335.9470094 82.76983801
4,4'-Dinitrostilbene 88878.58182 85725.15228 88446.55986 85643.7411 81744.59761 74754.21824 77347.03827 72914.42593 64908.98261 66875.54861 73451.92145 70342.00354 10071.02933 5741.390786 5170.339855 8000.872976 12123.58191 5279.42957 2460.297659 1019.653666 1936.335371 4444.339871 948.5951673 118.0464047
Hesperetin 7-O-glucoside 76924.4088 41862.79829 82755.8178 39940.95897 71858.19588 73818.66556 51231.02066 58075.01661 48357.42892 53722.39776 50231.42732 64549.47558 351.0366927 236.3381747 17.48749482 296.3905254 96.1807648 214.9933552 287.2570542 311.4327566 147.2767667 460.974831 170.5023845 52.46214826
Bisdemethoxycurcumin 68669.65529 64437.32054 64307.26966 86683.16844 65503.80367 39855.16541 253657.8084 245322.0542 176436.4833 204782.7303 343810.7628 224207.2168 1757379.844 1673190.923 1756205.602 1606479.651 1700951.053 1634318.524 1276245.497 1406459.206 1617137.322 1510299.939 1339242.404 1620047.475
Chlormephos 8185.430506 3528.834786 3095.935939 6417.276986 3079.251642 2439.724792 1919.478561 2014.337255 1292.54739 1532.931641 1768.265645 833.74749 6557.195661 14088.41918 13417.68673 14453.06177 14733.70888 14959.02212 13297.64838 13820.06254 13563.31479 13698.22535 14157.38677 12634.1646
Aceglutamide 51381.82402 53503.69937 49550.76652 54375.21138 46743.63223 52012.60424 49543.27302 47934.26744 49407.33137 51044.44434 48177.36327 49723.53064 21997.43107 22252.00917 22156.76738 24484.80633 21973.33317 23119.5374 8891.793336 8314.846403 7790.915843 8205.533611 8488.691869 9003.815201
His-Met 298.8763145 298.2907584 219.2032811 70.59380125 194.1106118 457.6385414 150.3663475 292.2374797 52.72586645 192.2523743 154.5639362 96.95638717 1072.572212 1015.456663 959.3106851 1727.348446 1069.349704 2663.000438 1519.048305 2086.163978 1997.028511 1716.895742 2252.882263 2665.959652
L-Asparaginyl-L-Arginine 233.5914513 102.2233449 32.29579796 4464.003856 6032.324642 5682.31065 258.7344081 1414.428229 6948.174182 6491.795448 6002.940296 6263.780775 76000.40532 75352.90698 71129.13077 78075.5273 72237.00301 68395.57076 169757.6561 158225.4215 170418.0792 167456.293 157802.0163 167336.0229
Vanillactic acid 611.4157855 1014.820549 1081.355197 676.1370334 726.875488 1073.582472 752.1122327 692.985266 670.6124163 783.97352 607.2651127 787.926884 20821.10361 20774.21847 17324.20901 21561.41367 21036.66042 22793.5706 7059.604206 7553.043607 6679.651464 6568.139976 7486.181127 6801.125132
6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate 800.9142225 272.8692749 407.216671 465.4627478 545.385546 512.8827579 283.1372378 571.0951198 332.4260963 500.5618225 392.6432188 748.1635305 956.1769259 1013.209125 1518.05456 1305.419925 1422.247275 955.2459426 4503.704021 7675.392049 7336.113525 7877.793804 9133.104141 7668.944497
Oxypurinol 333780.1325 329186.5936 347640.8281 365868.5902 327200.8658 336223.3794 228171.0768 229796.8996 213020.2291 211437.6128 235941.065 248060.0498 342086.5445 312922.1802 350323.9309 308977.5933 336935.0268 316675.9421 216680.2409 197871.8664 245700.3179 205316.0547 241240.4878 257184.6565
Zucchini factor B 333.7919138 153.0886407 418.6208537 133.6664233 89.14916065 348.210814 159.8247678 89.19812433 184.3702124 25.05942507 24.18011949 45.45179355 5740.231946 5744.945958 5584.358026 5635.172152 6279.818872 5920.713241 10694.53873 10555.23542 11130.48026 10908.44457 10038.81391 10636.59864
Phe-Trp 1350.000583 1285.743076 1277.425826 21.71254505 1362.39218 1118.457292 2910.113305 3437.215076 3501.475038 1231.295882 1543.90907 2753.199801 70533.14071 69018.71072 68538.38042 39139.4055 40897.01488 39753.88915 4105.754882 122.8089889 80.97784334 306.7009131 226.4263701 246.524708
4'-Hydroxywarfarin 34480.05967 34741.55263 35580.39685 36495.42932 34611.72844 34505.02458 11699.20322 13125.12322 11894.51649 11509.90489 12446.71 12391.78668 490753.5378 441455.2768 445846.3418 508090.6867 466037.5387 481784.0677 562455.2967 570261.271 611334.5319 601759.6934 582583.8692 627917.9498
psi-Rhodomyrtoxin 229.8533943 241.9413189 141.9740836 103.3612301 114.5819455 150.6901217 34.85059111 71.7885368 78.77018364 121.4119497 36.26806961 116.1665842 1926.41649 1672.829801 2144.867923 1697.030295 2259.896657 1252.010789 3285.517703 4357.450632 2831.23792 2781.855054 3677.105263 3178.255799
Epoxyoleic acid 1422.780224 1721.174448 1218.286026 618.1237132 864.1654128 1212.104525 794.4079506 813.9171393 1509.331514 1285.166762 1583.482817 960.7263649 7500.977312 7560.446623 7282.120729 7424.185975 7371.322308 6694.639393 8086.176156 10524.6329 10586.93544 10339.93946 10730.60805 9556.759369
Ethinylestradiol-3-sulfate 1624.957307 1612.968306 1530.072584 1348.218565 1498.728725 1811.926011 3169.30829 3384.64247 4085.416091 3362.831543 3646.6003 3605.126698 25737.03812 30556.95859 26032.32515 30555.24442 27734.25031 27725.15466 33497.46123 30394.39155 33247.6778 34901.8534 28624.79026 34961.73071
Amritoside 1291.743127 1591.274593 2067.169321 1816.658521 736.8247037 348.9793003 803.4521636 610.2253629 1257.338979 861.2861226 478.6059549 232.7419743 15146.03624 11743.87065 8840.059559 14942.83787 13552.35162 9843.709428 780.6456433 809.3122394 1567.284179 904.9883463 1646.09996 1850.414845
Geniposide 397751.8775 389618.3596 376902.9944 393312.5397 371981.1513 374652.2573 327602.9994 330545.1644 321972.4306 316584.0591 335524.2946 329029.8524 146071.4741 132388.661 140453.1991 136507.8676 137437.4242 133770.8075 46796.82687 45431.35094 46845.03751 46026.23598 46813.02926 47749.4619
Dihydroprudomenin 351782.3021 194784.2701 213230.447 207579.8066 194423.7904 320704.772 589595.5513 571741.9299 574203.2451 585489.2882 578027.1864 583150.9247 65989.22321 72147.1441 66549.28544 70883.33308 70564.0834 68287.79145 19720.93992 19311.7366 20691.35001 17525.66304 19173.01228 21222.53102
Isochlorogenic acid A 31055.87539 26319.36821 22736.09752 37912.72265 30279.28405 20714.2541 26293.52378 22974.5743 25186.76348 21198.57641 33250.38416 29330.03726 139502.7304 142382.9691 171290.6751 170400.8152 156212.3045 153511.9061 51641.27322 47536.77781 65025.82046 47851.35509 50006.58954 51450.49002
(1R,6R,11S,13S,14R,21R)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane 7970.624961 8527.334314 8622.785377 7627.843925 7053.674159 8259.784546 10008.04085 9334.650788 9191.283169 8720.775762 9804.038205 9474.617254 15477.20954 16573.85291 17352.35007 16400.62331 15889.80705 14801.27889 16239.34777 14602.54224 17289.49804 17706.45513 16646.32909 17481.73938
s-Hexylglutathione 41520.54498 38667.49972 36971.02626 40502.54425 37155.90452 37409.21709 17262.66577 16776.00701 17424.22611 16788.83803 17803.972 16775.11797 106721.9704 104243.298 103771.0584 107723.5383 106991.0157 109182.8812 43902.99764 40458.32413 44188.60507 43348.28175 42960.49908 42852.16348
2'-C-Methylmyricetin 3-rhamnoside 5'-gallate 131600.2548 129418.5079 125603.3472 125407.5427 121664.978 122985.8352 136593.1157 134837.5305 137532.9819 133073.098 130951.0214 119559.4615 1414.402568 1044.862717 2133.034846 22902.09238 7732.498363 2144.874725 439.3993288 1017.444357 196.1242224 748.4817748 3381.971062 931.7689353
Chinomethionat 552.8241995 239.0882657 502.9349656 1089.201951 686.3136963 869.9888045 190.3017024 867.9536548 568.1036315 498.9377567 350.4425666 48.40311185 2240.689738 3189.400232 2547.448251 2313.840614 2207.068387 1916.943397 4296.310778 4426.378512 3658.121402 4732.151219 4593.479022 4284.483715
Vidarabine monohydrate 26807.85052 29909.9317 27616.70446 30566.33564 25906.97402 27219.90375 4385.442103 1731.583296 6393.86361 4392.001854 5594.398654 3104.910379 802.8082883 959.8744522 2156.46515 1727.455003 684.5533828 957.7698025 2998.303618 1206.546351 100.2711727 5548.415986 7055.471205 6324.850847
Hexanethioic acid S-propyl ester 1820.241378 1746.47211 2480.428074 2158.892906 2415.967131 2603.733441 182.5241148 507.5399056 163.5244711 264.9264185 97.34610457 318.0827214 46339.42763 47511.18717 47339.64945 49350.31359 45994.73955 47279.96401 35419.74423 34367.07536 36521.84371 36001.84946 35286.88126 36440.37035
D-Ribulose 1,5-bisphosphate 200867.4114 130858.9054 201527.0203 145012.8399 122665.4638 198084.9436 236437.6818 229176.2431 221441.0978 154956.7435 257464.1046 233814.6302 338.5423433 998.5455406 5566.844181 192.3797728 133.5035839 309.9315851 3685.947965 68.61451625 33.66008749 22.00847968 4485.830261 4532.502437
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol 30675.71988 31783.45224 31895.61917 35148.00091 30018.5693 30237.35281 18240.49051 20406.90492 19035.00148 18721.76753 20529.22282 17985.90519 1019.202832 3444.246155 2162.454508 2169.952931 3066.344268 3546.515908 1841.986299 1907.097309 2056.018649 165.0614391 1578.387267 671.9577079
(Z)-5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid 72.78120866 14.74052049 294.6183403 19.39539929 74.68578012 181.7062657 11.50032128 56.44097898 9.406741141 134.6956973 190.5575771 300.5376472 4398.810551 3826.414278 3736.761115 3584.111325 2402.017464 2182.513554 18453.5084 17368.63489 19686.33953 19184.77906 19055.63627 20384.26098
2-(4-Chlorobenzylthio)-1H-benzo[d]imidazole 3170.045649 4062.479004 3918.659479 3722.556916 4667.841968 3840.42578 2376.242438 2266.67874 2953.885454 2534.004024 1744.505728 1834.828263 143.9881041 48.51067445 371.4192156 105.4840133 168.6048232 73.5454666 292.4239164 142.2866153 91.02986874 73.81961465 92.87481805 66.97506486
28-Hydroxy-6-methyl-5-tritriacontanone 22500.60598 22700.49148 20816.83585 24700.83843 24058.43264 23942.76469 22206.11085 23268.7908 22205.46395 24592.32624 25009.65284 26062.30853 2532.360756 1936.471735 1762.046658 2418.404473 65.85892706 1749.714925 3737.421693 3318.741897 3260.926419 3197.692871 4257.233999 3550.192822
N-Acetyl-L-tryptophanamide 1167.012606 711.6452459 864.8012903 1261.932158 391.6522214 598.1254396 654.2148081 1275.520185 1154.133221 880.8333079 1000.804074 375.0779341 2632.952187 2977.33222 3159.028465 3406.597838 3157.610518 3709.003023 1022.193063 751.045176 1049.692708 847.6556969 840.6921407 101.9020685
L-Selenocystathionine 2276.277522 2342.7693 2093.507474 2317.536989 2823.773079 1695.185986 1568.133703 763.1712386 1242.139605 1156.879731 864.8049371 893.7421477 126.5912089 533.3390213 1151.462416 265.4848034 723.7136012 841.2955849 1292.160343 3039.426571 1886.0935 1079.390802 1507.867857 656.631072
Methylprednisolone sodium succinate 826.3196446 1192.598923 912.2337218 1540.853129 714.8689122 1411.1058 4553.122194 5157.346057 4329.097786 3752.558793 5156.503371 4699.156799 197.5833764 73.03934422 41.04245238 45.76765562 65.47872653 66.15410504 147.4288249 71.82383312 446.5639287 203.3089095 343.4563224 9.585622234
3,4-Methylenedioxycinnamic acid 919.4430334 1006.288673 1896.608392 852.1979108 610.3849224 798.1386326 1575.972498 2118.499937 1272.603377 1017.071416 1145.045553 1085.010261 2534.490315 7354.689461 4510.859905 6514.878304 7420.277249 6344.228655 7721.266404 6110.400536 7153.072226 6627.823496 6563.303399 6975.882026
2-Chloro-4-biphenylol 225015.5147 232989.7985 209984.4369 209320.0604 224981.6225 219679.8941 285230.7402 254182.0267 305788.8641 326891.7161 295374.6217 372602.3047 274748.1148 257417.9134 266008.6866 245599.8603 275657.7747 293234.7849 630295.673 664430.5062 741469.2815 726559.6902 720736.3687 773274.8165
o-Tyrosine 6534.590578 6649.55018 7369.269529 7168.835516 5070.315737 7621.249498 11825.08873 17615.57621 15358.46291 13439.5563 11570.01661 13267.59406 3161.740257 3115.633015 3397.588909 3434.803023 3621.144591 2854.624491 4012.331609 6115.337954 4325.686521 3378.509384 5240.123445 3975.357112
Difluprednate 170.5603997 355.5462156 220.9137887 123.9475627 130.2240615 500.3272286 41.6717004 344.9622448 118.8711095 114.9977093 488.1940882 95.09661032 4761.008832 5181.199129 5404.6661 6156.654094 7113.902147 3513.862177 2300.796942 2249.59453 1568.828603 3345.412284 1832.618336 2654.153733
Musizin glucoside, 6-hydroxy 105771.0267 105839.1399 61742.64019 104092.9401 98183.95497 102134.2669 112704.92 114304.7632 65910.93943 67433.89559 119001.9558 113019.3369 84199.9575 86329.07538 86017.38684 89670.8164 83573.6502 85908.93682 46120.34715 46727.07 48870.76014 46187.48708 45782.1382 44090.12115
Daunorubicin hydrochloride 7032.27589 9201.258132 8360.462097 11812.79162 10756.51318 10589.78567 15117.76519 6070.366308 15095.48393 11096.04228 8096.822252 7338.613187 64619.63096 66766.90045 66849.60347 60113.05788 60515.35022 61935.85166 21713.8837 21658.32954 21878.12967 26033.32913 21431.36699 23697.45898
Rugulosin 3532.345421 372.1556231 10990.84941 465.7431181 198.1497856 296.8781279 6692.747818 2412.818184 6038.848913 5018.505218 5909.048769 3307.352441 90038.11363 99411.14657 92747.29084 99942.84606 108751.719 94120.46923 63553.25818 69104.52766 63249.44008 71017.5854 69180.63248 70028.59297
Phenazine-1,6-dicarboxylic acid 390317.519 370607.8822 368712.1316 468824.4313 357952.4033 372328.8442 370261.0478 377368.8565 366805.1725 378741.04 391523.0406 384845.8107 24151.23658 23461.26586 21483.0836 26555.25354 30431.15153 25019.10883 1994.369841 4626.749246 2526.365047 2571.962352 4485.488967 2658.354603
Lignan P 7127.98137 4039.551395 3889.99443 2772.462706 2328.381049 4271.798623 1168.864413 496.1499716 2375.85707 1287.290882 1477.690997 2563.49415 922.7501269 668.7827704 784.9203328 641.7287799 834.8113561 602.9235442 410.3670315 109.9222359 58.41951897 359.4367802 353.8554148 487.2539291
1,6-Digalloyl-beta-D-glucopyranose 3883618.537 4404474.344 4238287.4 4970329.295 4013413.335 4290351.873 4159728.377 4047585.219 3622589.972 3932954.811 4446916.053 4110925.585 169032.567 197765.4069 180157.1895 436.2833986 164606.9158 183756.3566 217.3828639 153917.2905 34.15329448 157426.3097 157410.8707 133633.4347
L-Ascorbic acid 2-phosphate 2978.280255 3044.420062 2816.420943 2926.898481 2573.312435 3079.486997 2831.633667 2833.128586 2611.786747 2729.860727 2876.929341 2553.671365 2907.582758 2413.510247 3021.474434 3166.576455 3168.106449 3189.727149 3451.404717 3930.213646 3385.364167 4103.396232 3600.015908 3894.830746
CID 440908 27501.8569 72278.11228 7468.953296 18238.51631 7960.682524 17801.80916 19214.31467 17769.09017 52531.99702 14720.51402 15876.92827 19812.07797 1326.488258 1282.643295 18.0958021 1408.89332 1500.614317 1028.153941 30.76261941 1298.269654 3569.169084 1256.264979 13.87350548 28.19936815
Fluorescein 96027.97027 96089.80932 92522.96505 94504.45409 89139.7787 92726.20919 102323.1508 103775.625 101249.0448 102837.6523 108040.1376 102608.6053 76443.91164 78376.90667 78093.9292 81410.82454 75875.2964 77995.46901 327489.3911 295995.8724 330496.4978 342605.5372 300686.5679 353782.6822
Oxymetazoline hydrochloride 3045.568314 1798.889223 1641.594497 1687.023979 1693.586432 2140.554907 2110.34834 1284.601605 1514.68711 2204.416127 1539.694313 1391.20331 26482.25578 31321.21108 27591.06795 30629.16734 27332.74802 28137.60064 53948.49432 43847.22317 48562.26716 40895.33448 44493.61996 51397.4362
(1R,18S,19R,20S)-19-Ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one 16426.73668 15982.19768 9577.11974 16918.8938 12420.19765 11368.97708 17483.84944 10767.03275 14409.7509 17672.67214 18611.18457 16610.89036 14737.40851 13389.02325 11704.57587 12476.00075 8796.525027 11203.15981 12972.66972 11299.6788 14361.21268 9514.853749 6285.984436 11871.38808
Propargite 526.854547 562.5514093 586.3037741 696.817415 299.7277428 682.3278454 293.2752781 129.8012359 153.9403277 221.6621436 206.0618644 164.9538414 2079.460735 2120.995313 1763.395691 1991.093076 2117.550919 1857.852833 864.7310536 892.7551648 701.3814821 777.5747299 965.0054922 968.5146144
Corilagin 35698.16435 59808.37669 31045.69474 57586.94858 28952.86598 59438.58734 12202.34316 12718.8759 10767.68685 27539.11846 27674.4708 10126.4943 21684.07732 46871.79334 15805.14428 23813.70743 24704.88967 33847.95106 108.6877613 287.1251802 35.899328 143.6974956 3185.797917 3734.110489
1,3-Dihydroxy-6-methoxy-8-methyl-9-xanthenone 362529.3437 365131.3423 377427.8681 382517.529 331459.9064 343493.4062 263482.7118 267596.3937 250402.2512 254771.6774 252694.6641 224284.1742 1914.581003 8544.01823 1283.61721 9590.023983 8183.789719 2833.564506 4915.043107 2693.316984 6753.59401 6040.986168 4076.587009 19372.3085
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]heptadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium 15896.43322 15403.3127 14787.49037 17448.30723 18925.68104 12330.006 51947.45208 48887.33791 49359.68379 42749.30114 43110.51586 49286.08002 736.6546832 661.1684605 53.00138468 331.5976093 60.49324627 137.7125982 561.2692701 519.5963861 555.8343418 287.8830528 453.9093567 616.157145
Silibinin 235972.4797 253246.089 245288.9186 233881.6167 195126.4516 187038.9221 249852.6643 209013.7472 223456.931 200478.3036 172502.1449 192559.6627 26925.99423 27271.5707 28626.6254 31669.91155 32679.91473 24797.72752 2341.900758 8139.577648 4253.887651 11183.91025 63226.2447 28158.81031
Asp-Tyr 60553.94905 52902.76289 25989.91582 17615.78227 7647.485592 43040.85228 25054.45032 66789.59135 13607.8435 27888.57798 67803.53083 29816.55663 244027.8995 225985.0162 209015.1472 243010.1986 224104.8352 223120.3503 65914.34634 43905.88174 28400.57152 50011.79822 25822.24441 49941.03135
2-[4-[3-[2-(2-Chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid 49923.9224 51870.06606 53473.80365 55254.58102 47630.25087 44363.57251 28179.26794 26490.94535 27649.92313 28472.07763 29867.62774 22115.17233 1125904.984 1116637.441 1062576.768 1197418.017 1041253.142 1071837.186 439952.2398 367106.5166 441072.2813 427126.6344 409418.3909 480611.5708
quercetin 3-O-glucuronide 747182.152 726792.7822 693593.5947 723015.2883 696885.4764 704756.0185 482572.9239 502784.6729 489950.0178 491493.6998 495480.8615 471280.2987 28693342.77 29323785.49 27381563.47 30059403.46 28727857.22 28488858.35 46047589.32 44683304.07 45887247.28 44950084.2 43881294.29 46033149.66
Torachrysone 9258043.761 9692110.898 9579589.729 9873072.265 9877177.3 10085949.92 9297553.774 10051257.75 10124838.59 9845069.55 9943685.93 10109776.49 781024.1445 679065.3307 650077.6754 653540.8901 645104.4647 672245.4755 1320939.027 1375097.469 1388936.407 1457176.35 1501110.259 1577481.542
Demethoxycurcumin 385.6014408 1458.695886 180.295726 2197.60738 6011.11219 1370.158712 3058.436434 2551.922269 2460.739935 3400.978908 3488.916658 3713.770671 314259.8193 324095.7597 352159.5416 353447.5615 323422.9078 320067.6261 843273.6399 902895.4531 794038.6123 841972.0402 772604.1701 785669.4631
alpha-D-Galactose 1-phosphate 141481.2325 135376.3855 134050.0493 146808.6309 133405.862 139761.5731 156139.3785 178183.9791 167813.1924 176466.3523 171265.9066 180325.619 20373.33997 20006.61687 12417.12095 19916.88736 8244.768714 8972.97085 3335.320544 2083.897757 2825.841054 2049.5759 3217.984161 2174.307587
1-(4-Fluorophenyl)piperazine 109.0425737 82.78334498 149.3045908 60.25591148 81.13977444 223.5120155 66.29089092 79.14834012 69.72608929 87.5619672 60.95225292 98.62553656 266.5097757 81.75528052 322.7809436 129.4121147 226.3419659 75.46673762 1151.730953 1000.202415 1678.273932 1207.370415 1394.217082 1913.419441
Diflunisal 3926460.126 3905172.511 3959665.048 3943536.132 3806974.508 3776215.934 3938483.454 3844124.004 3861113.744 3833734.992 4098631.795 3766662.086 52848.51233 49798.83345 50717.35593 52184.65224 52032.22307 48247.58626 20275.09786 19729.14814 19183.10967 20009.49122 18514.11661 19614.09851
S-Benzoylthiamine O-monophosphate 2022.133252 1832.420067 1411.438058 348.5600955 1562.341534 1148.494992 1430.743048 843.6249256 1744.206406 1275.715433 1644.432067 1470.948159 20594.14482 14793.32734 14370.38274 8746.572178 15702.83861 24061.82897 15813.28292 39758.83858 2804.687674 2205.860299 1501.32412 14492.31979
4'-Methyl-3-chloropropiophenone 331.0010256 875.1448408 607.9894812 309.1796471 109.1985287 642.1219679 600.5059325 776.3147432 283.2229542 158.0816744 706.4730606 594.2975019 2184.320661 4177.642995 2787.59395 3603.03846 4194.630498 3848.080001 5793.585183 7674.781101 5784.79108 8031.007535 6743.006397 3949.946545
Pithecolobine 438604.8307 1156213.835 464323.3509 1225099.276 290641.921 256264.4821 320882.4553 419846.5332 449796.333 610596.9808 251530.9327 363417.7133 319096.4375 1697383.254 576284.0788 276736.3585 91669.51332 1608019.047 2057497.035 248190.4803 730567.4231 1093312.949 651066.5027 1066471.147
Mirabegron 44.10644217 168.4070848 95.56442513 188.4302745 47.2569183 145.4026964 64.40951508 170.5797437 354.9763522 60.90896692 165.6025414 214.7595065 2587.478862 1873.638818 3337.560069 2453.545629 2427.569009 3066.795365 3325.223041 1939.31566 2908.859244 2606.746007 2655.820503 2988.58138
Pterin 453.5704185 1687.900735 576.2178383 1139.735248 92.17178491 1075.554514 706.6483049 430.5475902 835.3227431 516.8982064 1094.052331 509.7971407 14393.66049 40024.99362 26229.59806 38681.96473 36124.6126 36177.0399 73218.33696 86277.38838 77788.87704 92848.99898 65061.1168 95690.47075
Vitisifuran B 3777.490235 4811.04366 3963.861386 6121.627274 4839.572011 3803.512744 65499.89234 67259.70952 79739.05966 56135.1054 72137.62661 68395.25486 86.06120578 69.38566582 6825.535622 129.7845959 6758.701321 7.133634745 635.0107358 697.0304876 802.0702026 5.243532193 272.3892325 879.50988
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide 3272.46527 3079.165665 2468.426404 3872.607621 2652.14405 2486.4556 3545.284691 2916.831459 3232.733988 2924.290371 2958.390321 3066.210363 37302.48163 32322.16192 30270.40872 27278.51068 22452.12139 23688.24177 16122.37078 16897.10256 16009.55163 16182.6154 17700.85892 14741.28709
Evodol 3666.005138 5941.78188 8830.753748 10944.46284 4935.491704 3483.862486 4125.817515 3698.641362 3947.3898 3659.953822 3642.45472 4025.218685 12205.77798 11690.84601 11038.09148 11671.68521 10569.30895 11548.51726 6008.332919 4927.497418 6415.70188 5654.567089 6205.373571 7981.527339
Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione 482.3199659 415.876073 1026.796915 423.0330166 993.2443008 399.1926055 246.0979958 703.0113125 467.3015764 469.9613329 669.2125621 748.3218867 8982.621349 9462.151293 10962.47835 9802.076286 8921.165481 8358.307619 2817.839928 2315.142359 2742.906274 3227.695724 2635.0493 2508.242723
Loganic acid 196209.0358 102420.5843 159300.5384 161813.9331 149311.7319 193123.6472 186807.4407 181294.9641 142132.7126 168601.8748 148717.8487 186431.0071 27838.64646 200.6075827 1078.778115 44.77868712 248.8401162 6308.212243 6008.061832 985.1234956 5939.768872 8094.508838 5738.316619 7561.959497
Carboxytolbutamide 13729.81876 14097.6344 13967.8596 18830.9229 18700.75464 14224.04944 11455.92236 14435.77673 20112.77716 18939.54986 15303.74818 19459.59858 69060.45655 69208.15459 74505.68069 78963.22641 69266.74671 68848.5942 129534.7455 143129.1029 132052.0183 129064.7651 126124.1717 128980.7769
Pyrantel pamoate 1139.179185 132.4400634 611.0426399 1284.621906 2189.851059 392.7706717 356.416877 697.7418775 1648.08621 1502.082407 2543.344783 448.5163302 6216.847771 15827.11926 14554.25955 15542.93574 10776.25633 16272.65568 52700.96544 48401.06825 53328.88861 48720.88536 72994.2066 55079.17613
Pinosylvin 384296.9359 376213.5648 372868.0601 361181.4385 362682.4798 368077.7325 281936.9889 281930.8355 283895.451 281116.652 281223.3474 284530.5457 1236.548053 1589.65935 1478.809758 1187.018741 421.3506343 1073.590674 2267.070572 3066.890604 2438.275244 2520.081707 3039.315449 2690.415258
Benzoylmalic acid 4925.282695 162.6663365 4700.078522 3641.569898 215.0026902 349.8505091 84.63377204 5300.994996 3829.557316 4105.672161 4311.213779 3823.401668 67539.77368 68729.33545 68443.34083 69485.09919 62673.44019 64653.70377 58560.36034 52448.98615 57059.04819 57773.08264 52041.82748 56848.51944
Lumiracoxib 88340.30083 74534.18856 77287.59527 83974.22144 70706.63117 72075.13583 82429.12927 79691.20147 81911.11351 91032.91424 93937.81889 83263.41225 2199.512129 2485.070104 891.4773483 1444.362115 1774.897439 3500.440206 54.11831722 27.45289913 2926.704266 9.225969979 1334.960106 1332.888488
Metrafenone 9233.037855 13651.67764 9119.232458 11306.68105 10574.10043 8944.956204 11854.46439 8840.866245 10936.33525 11343.87778 9924.923824 11781.87957 248.7177797 731.8417949 525.0893915 347.1718694 141.524131 485.525127 265.2642758 145.2996501 65.63682652 328.1841731 59.03199394 66.97854046
Ketoprofen 207.3656372 471.6446935 513.7025785 188.7416809 470.0746279 129.1051748 1320.019189 1687.36218 116.131697 47.08039969 138.4148355 257.0587575 36336.45207 32278.41727 37225.46994 36649.57492 37556.8677 35558.94719 61773.14009 57985.28131 59032.34615 59211.81234 56645.32013 56672.90512
Diphyllin 33485.60851 36328.14024 38120.60208 38116.4208 36910.55641 34465.13632 38328.80191 36909.48502 37664.62601 39396.63875 42144.95242 37440.67714 668.8851327 1161.099378 30.59261875 329.9021547 1650.757314 174.3776284 50.36007465 363.108173 698.2748184 390.7629517 430.7638466 245.9159999
5-(morpholin-4-ylsulfonyl)-1H-indole-2,3-dione 342.4722972 736.1765747 292.8045246 510.2222368 129.4356241 817.2833135 293.4260766 276.336723 233.831342 39.52772694 343.1993826 249.9897411 2361.121949 2003.75363 2956.785076 3485.059305 3369.278597 2867.566843 2302.788729 4700.55572 3124.873927 5054.176383 532.3513671 3526.920054
Kaempferol 7-cellobioside 3-sophoroside 180082.3899 172453.1942 155610.5145 167713.5569 174427.9564 162652.5195 246342.7756 203079.0599 199274.9383 178158.8825 246263.7459 217948.8512 16139.46189 14969.91407 830.4432477 310.0929693 186.651917 13106.79027 378.1881458 628.3233477 30.92786865 41.1230138 701.9457503 5209.122468
Imatinib mesylate 11703.75183 7602.687901 3883.003114 5815.454933 7532.341855 7466.104906 1672.081108 3268.953486 2023.668598 2429.02822 2864.936516 793.2443962 11546.85595 9825.035386 7513.810514 9273.978629 8128.421174 8318.460607 175.8537157 1509.007704 53.66668599 87.41459924 1832.493908 1622.947696
2-Oxophytanic acid 2756.859704 3086.768447 2607.064057 2900.051597 2892.818617 2903.923724 8250.394877 7352.665032 12182.29653 6007.221457 4590.915684 4525.75184 11763.82416 11623.49132 11987.62032 12199.71805 12222.71861 10984.55448 12620.06217 15246.84099 41049.31295 13405.0859 12532.00963 40206.75444
Ixabepilone 6533.051005 6103.538357 5394.727003 6652.066079 6145.707514 5915.464813 4238.420553 4459.331491 3921.644482 3783.2685 3971.547215 3898.270296 184.60076 370.9433909 378.1907843 291.6544751 299.4390164 681.9209587 187.1489823 1105.051257 399.1149178 772.7410207 444.9958204 403.8106577
Glucoerucin 7839.494477 10890.60133 10059.30485 10911.84212 9185.201561 8694.061236 5447.627674 6504.791267 6166.944582 7213.624219 5352.086274 5832.916927 32057.20198 33764.65466 38150.13532 32708.73458 34793.46167 30688.97897 36460.07312 21542.63199 21718.78437 24447.79833 21371.41784 24967.34016
Penoxsulam 907.1610819 590.0713551 785.6232197 345.2926647 316.9598228 628.1165779 698.0188417 209.4904906 257.4318705 529.4425033 376.5388802 347.1692372 4767.503307 3605.507235 3076.279597 2266.519198 801.6535386 3020.131409 2273.030582 2011.306404 2647.517736 2112.774514 1875.081108 2030.029764
3,3',4',5,6,8-Hexamethoxyflavone 1503016.583 1538658.207 655801.3438 694395.5365 643988.9501 657404.1422 834246.0966 1511652.456 793708.5632 756248.2508 798841.0536 491374.1622 504661.8831 190161.2173 299956.2787 451918.0773 343958.8825 258099.8105 408696.4197 358074.95 422281.9833 312963.9234 394017.2186 284500.0803
Rubroskyrin 139289.9937 141427.2117 148657.7898 131455.398 132626.8011 111154.0055 118055.8471 118448.1958 119010.3466 114774.0847 110159.8524 113817.4685 68084.73154 63591.98244 44327.40452 35481.83909 20291.16348 42973.25183 14044.13265 13469.33354 6382.371294 10205.39612 10140.44006 11876.6914
(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside] 14082.63855 4143.820763 6117.305426 2946.65411 5376.932454 2138.269532 7086.42842 3866.759991 6524.243673 1908.378077 5213.010173 10638.06789 35471.20245 16261.06886 21489.66587 22652.72043 26355.09087 17397.8739 26798.31344 29757.95214 29886.85481 26239.54209 27645.33307 27066.54333
Epoxideoxycorticosterone acetate 1428.472708 2778.833245 849.5619397 2800.098805 1481.276801 962.0900818 4731.761302 4122.561666 5566.75958 4893.956368 5760.199166 4848.247272 5062.093907 5033.317481 7980.38044 4951.373675 4175.870681 4327.189849 4137.975449 4998.756694 4375.439784 5287.27676 4639.868528 5236.308971
Olanexidine hydrochloride hydrate 511.5216935 173.8307765 424.5280583 279.1509152 658.7595538 873.9394799 8536.886654 8142.791855 7423.297794 4933.255375 5840.023144 8874.628638 11114.9395 32908.54797 34160.81559 31227.34143 33876.04129 31291.56404 230.1807042 396.6312881 262.5290398 247.0440962 520.5191529 462.1440667
4-Methoxybenzenepropanol 1-(2-sulfoglucoside) 2029.751511 1012.63308 700.2319508 4410.650412 1780.668248 2410.320665 433.4107921 32905.76128 4539.054712 5973.617554 6203.961251 6079.609169 67242.22113 76694.77508 80724.40173 80600.1502 79592.16009 80111.77465 182148.9724 109595.3193 107682.3835 195645.9807 196655.2686 100140.592
Allyl propyl disulfide 58.94358371 43.51601412 197.7449013 26.8223715 127.3597962 78.77779929 292.2509353 205.3920078 14.44278873 368.5942746 189.0211745 397.8590463 1562.912397 1400.524313 1502.680317 1733.324066 1419.901367 1538.126769 9723.882636 9274.397042 9371.869381 9819.330475 8778.06789 10031.05854
Diallyl disulfide 15522.3707 16302.36923 16380.65887 17644.46124 15179.88157 17162.2791 10298.99839 9571.122117 8588.128738 13370.04408 13085.63202 11119.57413 35071.49711 29138.28901 30235.71806 28421.03841 27759.43064 27726.56607 46711.2031 45348.10052 48628.97039 46809.37239 48771.26179 50082.79101
Demethylnobiletin 19503.0743 18759.23316 12916.0184 20053.8826 17610.7816 18651.97897 9683.383714 11976.99543 6980.029068 11873.90608 14422.62361 11380.47739 257560.764 208611.3028 276021.6782 255287.3252 287247.2777 230278.5604 46251.03777 46554.26426 47195.10346 48826.21195 45942.92323 50696.19598
Spectinomycin dihydrochloride 14229.73363 9573.048297 12762.49777 9639.182289 2571.931331 10223.24193 34488.37023 26266.97601 30457.70401 31132.28243 31009.86814 29520.06529 2741.741028 6942.381036 2594.424978 6929.307671 114562.2043 42577.57956 119.949278 806.8198407 165.0445331 1543.570151 688.7902491 128.1085756
Carfecillin sodium 97976.67302 98039.76697 94400.54047 96422.24001 90948.69887 94607.90906 104399.6021 105881.5515 103303.6992 104924.5444 110232.6041 104690.8494 595.4392365 4818.082763 3720.994326 4152.742059 3918.754723 4849.131566 59615.96747 57844.19088 123.0446895 128.1325151 59392.34206 378.3692897
Fluometuron 5964904.788 6009035.361 6035069.37 5839508.933 6002349.676 5846651.477 6475819.961 6361036.832 6388460.936 6555937.817 6601624.887 6729858.236 3315374.834 3380131.783 3429734.492 3128039.484 3107366.518 3250664.555 2117266.755 2250887.444 2242938.785 2347996.993 2360070.171 2333805.097
6,8-Difluoro-7-hydroxy-4-methylcoumarin 45456.19782 47551.41489 42624.96856 42755.59867 41287.63272 41171.91887 38696.73375 37641.83576 38943.98308 39016.05137 40067.16669 39971.83885 958.6739614 127.5913779 99.82172421 836.9228499 2055.667184 1328.180441 2805.428938 2226.527444 812.7620133 5045.499241 3075.145511 3976.055769
Glucosamine 1-phosphate 1352942.124 1157706.373 1076248.664 149446.9034 847115.9124 522696.2593 655093.681 603329.9742 135591.219 256907.8067 230851.1954 226546.5718 188.3796685 60093.6368 56505.91941 264.8029529 1428.684112 55415.09928 19926.68046 19711.17669 24076.80052 21452.66054 21541.11068 19854.25556
Persenone B 469.6182001 189.6637223 182.5126225 570.5733491 964.3779607 382.5727546 1023.077004 1059.141788 1971.505468 1795.007054 1647.191953 945.6090409 3555.512773 3552.756178 3387.251676 3559.684934 3789.894445 3409.657819 10164.82601 9341.260172 10682.72992 9075.739901 9172.079236 10057.91677
Metsulfovax 71294.84744 90461.36508 87663.22377 80403.43616 73390.1887 112745.2312 67777.30001 48199.81602 58967.0289 40378.17742 45388.50507 49419.71317 626269.5564 651473.8252 636866.9757 631299.5282 639112.9982 632264.0454 201042.3684 191775.5375 228882.1062 211806.4274 209855.6869 212730.8248
L-Methionine, L-tryptophyl- 1922.281977 2324.150368 3396.89814 2222.371732 1983.745616 2017.700383 134596.0481 100165.8337 104059.7235 146810.5236 213075.1783 278772.885 1946.092512 4476.582136 891.3608593 318.0968441 4462.254436 564.4290505 1525.197075 756.452718 2713.07273 1545.543512 4335.399547 2644.72271
Picrotin 827502.7768 810808.0748 835575.4695 832222.6323 781007.1152 799925.0807 1394928.093 1344371.389 1366460.555 1387830.862 1451388.716 1362303.623 644210.1081 646174.1789 639180.1156 632410.1723 637550.3486 629972.9081 126405.1581 126308.3524 130320.8798 127986.956 135373.2384 131857.117
4-Methylsulfinylbutyl glucosinolate 50.05835284 15.04641853 44.85005945 170.6794746 220.6959127 430.8373798 356.7903994 458.9624849 50.92616282 316.8614434 470.2381137 561.595011 7780.358363 9190.264075 7047.912343 8326.237665 8170.043385 8226.280243 21985.70144 25643.6413 20542.76762 22561.36939 24256.22212 22808.62939
N2,N2-Dimethylguanosine 568.0872173 949.5168055 629.4235241 718.2673759 413.2861402 808.4693259 753.5075618 822.9246544 679.4236261 701.2619273 1251.04194 1071.919772 19964.87569 22378.28193 18628.82002 21218.74582 20083.81133 19558.22749 8230.172249 8815.604342 9472.73564 5351.055357 5408.365794 9245.891379
Butyryl-CoA 6104.994884 7777.424001 6619.776461 8158.815638 5293.494378 5884.814002 72020.94213 51270.64709 43852.61221 44833.90753 63501.36179 43793.67423 69.8173631 459.0713546 1151.178133 660.9334906 496.8052646 898.4641444 556.5831401 723.9178705 130.1997871 834.7045615 360.0715805 629.0988575
Nifenazone 283.5401764 85.24601396 289.999766 245.3016559 212.6756028 152.729715 26.46165729 804.5166106 758.0358655 641.0265596 32.06144216 974.7947209 8365.676371 10176.1957 8236.579722 8398.871323 8939.708098 8693.081654 2377.731072 2365.709172 2193.296905 2235.363701 2397.590273 2729.449299
Flumethasone 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 460.7035989 550.1766925 67360.45391 155.3617648 197.6628352 324.4404074 1848.582602 3218.792555 3806.694196 2821.316437 3939.159601 3142.940694
Orthosulfamuron 2653.951992 5098.209944 3698.769486 4437.871968 2299.836792 3801.764048 4198.459909 5442.384792 4771.445679 3169.551321 4185.989524 1430.868444 2928.468282 2599.239023 2602.561812 1826.705369 2489.838267 3998.027929 2094.265633 2067.10772 1584.450151 1545.609441 1746.032666 1987.95945
5-Carboxyvanillic acid 15962.10715 16237.81529 29442.28435 14654.56615 17221.7775 14967.36835 10242.55883 10530.84309 10883.23953 10943.58527 12771.11746 10921.30388 188.3697904 149.5112702 381.7680108 293.1078185 146.0594248 385.5183511 427.0021484 31.75632712 95.84046312 496.4676285 266.4793176 354.253225
Glyurallin A 1053.779495 1868.278359 1769.972653 26.70957715 35.31096178 1464.016481 938.4090658 40.06416087 1224.744818 1305.916183 1159.407357 690.650209 15312.96166 14731.53341 14353.8031 16511.48839 18449.11624 15045.90587 11144.77167 7983.651101 11067.63981 9613.805979 9654.867636 10731.01832
Acetylsulfamethoxazole 53.29627003 138.4121705 71.03057012 92.27056664 38.17805884 97.97673249 84.15744453 110.7669935 103.888373 116.198835 233.9316027 103.9320825 4.377810959 1.222290317 23.47913383 21.17968335 12.02339703 7.371173438 15.87727231 10.17120399 16.18911948 25.01327768 31.67905263 21.93892586
Trigallic Acid 6500.444442 8832.875175 7899.914758 9024.642261 2673.221362 6002.323043 6124.062457 7537.243429 6982.951736 7624.474432 6972.513815 7013.248649 3244.350067 3781.872531 2870.120854 3478.052351 3499.52483 3546.815556 3125.71115 2664.028803 3250.994826 3006.684646 2549.521113 3018.090571
Epsilon-pyrromycinone 111234.7452 55997.98326 11687.59653 173713.6939 168338.4184 62603.13541 5611.688242 80114.7785 37047.96769 71893.86503 77038.45073 6831.212164 144788.0946 110936.1343 141852.4801 142634.9263 134852.3654 138270.3744 515094.8149 492034.8161 525567.8499 531357.9688 502370.2577 513097.6914
Ethyl 1-naphthaleneacetate 952.5550377 1446.45398 886.5847372 1394.298258 584.5063755 1273.084355 269.1970385 171.6121457 78.24133377 136.6451021 214.5548585 70.49122119 2484.646929 1833.39116 1289.661007 2057.1376 721.4199615 1546.67982 198.0015979 586.7156412 537.5050496 888.1600418 19.68937536 152.7915915
Vatalanib 870.0783513 896.0823501 1098.04151 508.399822 1534.172432 288.8357285 663.1727469 1288.835162 887.1054039 126.9266026 398.732006 1235.897133 8119.745943 8739.748035 8449.986705 8176.337861 8375.131734 7363.587511 23647.99227 24500.68616 25596.6187 10072.18182 12066.51525 24737.03687
7,8-Dihydroxy-4-methylcoumarin 519.2227096 892.7272376 2426.536069 1985.404875 2914.968548 6846.725568 27543.25466 24345.65702 25626.27461 27462.67826 26822.94064 31325.96545 115784.1388 109188.3462 115950.8443 111501.2995 100953.1325 103738.9406 136762.1939 129055.1775 136397.5765 134149.7602 125116.5659 200607.3497
5,7-Dihydroxy-4-methylcoumarin 3918461.544 3748749.793 3782881.151 3794536.223 3783115.697 3688694.338 2154600.314 2127385.674 2133033.328 2143880.383 2155119.681 2155335.144 301430.4528 630098.1131 683558.9735 984218.3046 301760.7337 963513.1932 58438.46866 62268.77264 181286.3223 64968.65961 62762.45841 59752.05527
Fursultiamine hydrochloride 4264.887151 7416.387462 1469.125663 3464.847851 3763.916882 4644.51643 546.7294158 1017.6824 1299.961473 836.6639415 893.899502 3007.027085 777.4140365 789.7379618 2301.05515 820.6687086 2497.656334 121.4214852 990.4023779 2134.540828 772.866044 485.7194449 1044.205689 557.4563612
D-erythro-Imidazoleglycerol Phosphate Monohydrate 37649.1715 32904.82315 35378.9255 32890.39317 30770.42911 36009.27694 39733.51895 43909.17612 33954.11724 39326.52014 44082.19292 42196.85539 95148.3654 102857.3723 97831.3449 100648.7934 91157.41861 94955.02261 30402.23887 29308.41861 31855.39117 28803.50479 30563.27083 30180.99683
7-Hydroxycadalene 1725.983543 2461.45736 1895.745593 2089.337955 2035.042689 1762.053518 2126.965854 1884.096408 1563.394484 1530.522953 2410.724099 1176.46734 4101.038717 3847.628843 4417.285507 4048.826059 4123.935422 4205.367523 3708.2302 3860.797037 4725.976997 4611.430217 4766.794159 5147.842262
(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide 10652.89276 11438.22494 7792.034816 11668.50974 9635.338413 10337.33971 10729.75104 9405.3884 8307.678979 9454.26453 9484.529405 8869.786209 1798.697582 85.61548295 195.1428926 16.58319218 178.1728329 381.16866 190.9546447 237.7038354 110.4900371 286.6072859 242.7528353 477.0560531
Cyproterone 41.58979842 37.65838711 52.55358779 69.34224376 49.49110339 35.77019022 2.409150181 56.37433723 85.64257356 24.37797371 66.19233722 65.77459648 12.82123704 15.05014329 2.065392864 11.97805312 1.042916661 7.361259985 10.11273874 4.304419069 7.100994655 6.256145807 11.72049428 10.77846898
Anatibant 12653.91914 7905.363515 11846.02881 15582.34197 7271.092293 7808.762097 18380.8329 14211.17608 11745.5329 20607.87979 12845.62288 15399.06827 205.1925417 1079.244805 111.6369515 1033.335664 397.9996827 616.1514066 84.90737663 95.52046519 18.86819422 513.6751921 625.8750736 51.88759987
Kuhlmannin 165904.2346 159990.635 147391.3631 137394.9778 167205.958 137908.8788 341061.78 319407.0301 341079.8214 330235.815 348936.4025 330498.7281 725340.7334 690768.2818 670274.0939 734363.0307 689370.2248 719496.0097 302134.9013 314020.8115 337694.827 317030.8245 338552.9417 334610.1903
Cyanin 12391.79178 8757.856188 9342.146699 10179.37088 1812.581106 10246.64705 1673.604659 1168.634473 14560.32521 3251.864758 1643.384553 71.10027423 241866.0395 237413.5092 223449.0152 243773.7995 235054.1603 240577.7693 128281.6557 116944.0939 130162.1637 123957.0051 124348.0298 132256.4731
Mesosulfuron-methyl 33979.59503 34353.40926 34065.44022 43972.66034 31432.97068 32075.95814 13977.73765 12662.85418 11801.73406 12919.33185 14615.94065 10974.25255 539.3113933 1313.779217 1706.824611 1765.785943 2424.103189 805.3617223 209.1759282 589.8483945 807.9873579 354.819188 168.3797537 445.116987
Neoacrimarine B 2273.543552 2597.118947 2412.560427 2211.324595 2953.27627 3166.396396 3293.004204 3304.271832 4989.411291 4760.820804 2501.05779 4555.148094 12497.76174 11999.39841 14795.87835 14308.47109 12740.26721 13392.16794 27133.79585 26610.54977 28451.4024 29471.06584 28601.36059 29962.52616
Phorbol acetate, caprate 677.9986378 714.9085225 716.346355 757.3872165 1186.431972 884.1013787 2025.278507 588.922519 731.9150513 291.6305862 2188.254297 1519.568392 1955.212908 2046.465079 2499.925699 2499.925338 3251.563688 1520.925865 4485.37102 4650.24703 4960.54471 4794.560129 4575.647114 4290.627033
Gentiopicroside 9403.384013 11414.30185 6338.640877 3804.540334 4157.662878 8436.76583 8475.026397 13390.45589 10985.37927 6637.952196 7606.283196 10015.9762 200622.4977 210552.4903 198640.341 207353.0008 209949.4364 212181.4796 455738.7848 450071.355 466868.9352 443807.1549 442280.8538 468283.2396
Strictosidine 197.5156266 151.6614101 116.1841142 191.712567 171.6209311 148.0908016 10.7452702 84.67888369 28.84252133 32.11020527 48.94500612 24.44913252 230.7460436 183.7832509 255.1530169 288.37963 187.8954927 186.6627361 65.55389838 57.84455406 83.2718268 71.36865769 109.2753931 123.4395179
Blasticidin S 357.4545583 451.1970549 308.170481 151.6702734 453.6665759 484.599412 589.8457576 796.9727547 942.1319894 854.9004899 865.7899687 627.5625769 11914.74864 10690.53521 11373.12751 10907.17607 10487.66085 11515.68931 14006.31218 10642.93908 12317.39634 12397.43043 13204.28956 10446.33116
Propofol 177.2140246 49.05012313 320.8325271 92.33257276 73.7938427 545.1971266 549.7480749 191.5630696 126.8132576 316.1302443 159.9378784 227.0166831 637.5045388 962.267695 623.6678098 657.419597 781.6878952 712.1381334 8955.942227 8056.166401 8869.20429 8397.148494 8424.885557 8398.468748
Adpribose 16842.72861 30559.44686 23991.55072 16575.46696 24406.71196 26795.98 34788.58554 67654.046 30489.56614 36049.51553 36398.56222 36355.09796 15732.12861 15217.67723 14693.07855 39711.75924 16234.61738 15537.29403 20711.92203 21894.27602 21218.48824 20571.71808 19672.81822 21711.53205
All-trans-hexaprenyl diphosphate 839.089606 1525.270598 1049.204643 918.3401839 993.0924212 1805.7483 2020.83354 1599.467944 1711.411765 1923.772591 3254.183199 1612.861308 9836.642401 9330.794553 9051.119338 10096.74317 10249.93131 9928.551938 38311.33261 38920.39128 43914.94825 40623.51644 37704.23677 42681.68259
Fustin 10230.34957 8139.408161 10157.90736 9001.472782 7714.525348 7634.913406 19141.82862 21703.33373 15492.15931 21537.49718 21421.5332 26118.54758 222283.427 132172.3825 222212.522 82553.35885 70801.38152 81553.90166 99016.69082 102019.0206 105406.9684 113755.3902 255914.488 212786.7612
Norlichexanthone 105258.3734 109288.789 109868.8146 114411.6956 104362.8936 107389.1254 85521.9232 81487.61358 80059.56218 84910.15215 82968.62965 82811.09157 10424.02011 14163.08798 10111.53739 9517.710038 39853.66781 12987.82784 9232.880959 9558.006661 9110.859241 8350.399089 9322.951467 11912.30797
Neosperidin dihydrochalcone 8026.686937 8831.322369 9097.490782 10474.69655 6004.790857 9675.378094 5071.775098 3559.087143 4638.85536 3971.112947 3933.920363 2091.986195 123.2692338 61.17987925 9.201795319 480.2148729 422.9902249 422.734781 432.429624 269.4987884 424.1329363 222.2065654 13.88949897 388.18849
3-Methyl-11,12-dihydroindolo[2,3-a]carbazole 1339.77577 582.8274581 1202.862167 1867.000831 1286.982905 1926.314351 1847.76043 1395.710644 1959.283433 1524.163936 1564.213305 1591.377879 2828.600817 2610.536935 2347.516169 2926.06227 3331.942401 2415.559552 2312.849063 2505.081578 2824.821552 2952.174036 2385.458686 3306.572351
(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate 51.791582 264.7068295 34796.76188 30.08763568 106.7748741 75.68921325 182.3700795 78.99531669 115.5719359 133.9343797 97.4513427 109.0544236 264.2265058 541.7979014 919.6076223 293.3038302 593.0067346 444.8255541 4256.947225 3658.159718 6202.921856 4417.233432 3654.817013 4173.999292
Tetrahydroaldosterone-3-glucuronide 3586.79772 4123.255155 6084.231586 4432.054195 3683.069143 3429.492427 604.7842685 629.1699676 794.1323203 742.3906827 662.4281952 563.0826041 18.27125724 199.7871248 20.96384445 19.00208479 158.2387209 25.5796704 15.70174428 147.9092218 6.800751386 15.38632041 11.8282493 66.86973791
Loganin pentaacetate 19630.81627 18446.89602 16612.63731 17493.57937 17493.65199 23120.98607 29601.45465 29404.00259 27254.69963 28518.45011 21396.76853 17716.55451 9588.626931 20597.46874 12908.32198 12571.26184 16188.87475 13307.08162 32652.42752 28018.43437 32027.05902 31288.30878 31316.72715 33039.63205
5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile 4762.319546 8305.724794 5900.840382 5336.02306 4695.268514 3210.745853 11295.29912 6423.561257 10905.24031 7244.437904 10104.45007 7866.394614 9584.454383 8991.655021 7769.337537 12592.95905 12336.36008 8897.679372 8611.309271 9600.393602 9501.340605 10156.16294 10967.34875 4597.812485
Glu-Phe 75665.62981 71857.97513 73840.45594 71637.57123 73365.87088 72168.26246 102362.2754 98698.76322 99766.7232 103921.2115 101125.3162 104643.3248 133557.2563 128572.4235 129961.7258 143797.0218 131262.4365 132262.9376 168117.1458 124561.4109 135747.7006 145439.129 128606.5692 149199.1335
Paederoside 42672.29557 40120.62507 32672.94896 30524.77892 34984.43639 36901.20472 38330.96483 45530.22459 38390.3804 40620.0981 34363.14871 31806.99984 8234.920196 15195.04081 4625.818873 6047.133094 8025.31122 11417.17111 3225.40652 7015.093593 4540.873855 7423.417133 4451.966363 5827.714286
4,5-Diaminofluorescein 41784.72999 38089.42336 38859.86872 47230.72998 35801.00125 39415.2108 24263.69489 24885.88804 22065.60001 22226.96255 23333.98325 21229.30826 231.9373976 1397.361635 100.7086936 98.06385698 32.8994225 830.6053415 1145.809552 645.590826 1285.484198 705.1619921 960.1472158 1167.814614
Amifostine 47826.61419 59927.63425 47945.52738 52117.28707 46733.74757 48267.92336 48182.31679 31596.69785 30177.39851 32479.17957 47819.65529 32256.74651 11225.22412 7876.130674 7545.615769 8141.490205 8494.305334 9383.697045 5501.449034 8093.294122 17466.99597 5911.064184 8143.963262 5749.023308
Tubulysin A 64221.41527 63372.7989 61086.94534 62862.83336 62984.78215 61114.64011 82948.39701 81659.1051 82912.77297 80609.04872 79976.87237 82085.43425 5773.216727 5115.195973 6684.406798 4771.965744 4867.755154 9754.011377 4787.727938 3968.012777 5271.976818 4187.850792 4393.607556 4418.095866
Autumnolide 276.1192009 384.5345339 14.97021553 272.3400425 196.0370443 106.3874562 22.91052752 66.86538782 280.6211898 200.8748971 68.32721307 277.8188321 7165.950034 8208.904935 6467.436004 7905.978161 7285.41561 8613.359685 18230.24719 17790.95419 17840.18847 17187.64222 17022.89621 18027.9529
Apigenin 4'-glucoside 153.0904526 907.974583 472.5002653 848.0797412 524.1859767 1048.524864 5148.76578 3507.566965 4621.62938 4849.16095 5227.58808 5001.560019 33.92081561 47.12827599 66.43522614 163.9603963 11.24993304 16.95093385 3.192543001 50.5487905 31.92540072 171.2035553 27.89682643 3.192555561
D-Sorbitol-6-phosphate 180071.5815 183668.0168 190525.2473 188777.8221 174138.7923 173269.9189 127945.8175 132776.4696 123953.1942 120996.2783 139835.8642 125274.4775 66371.24011 62649.84141 58344.54549 58429.49444 59054.21529 63981.23471 42530.40784 35233.49483 39866.36392 38986.47471 34378.91336 40034.46868
Aflatoxin G2A 639.7196897 848.3994477 1181.48442 298.3328539 953.124946 249.1203226 241.7389477 497.3194535 49.82395431 214.5209139 672.3142985 305.2483121 2780.599017 3013.954932 3122.405625 3852.995071 3393.73774 3494.449602 7431.539157 6190.299084 4512.073986 5994.964524 7424.196782 4131.515129
2-Phenylpropan-1-amine hydrochloride 7003.938633 4888.619541 3226.931652 4570.191136 7448.118303 4497.278761 3936.717448 3890.048194 3160.661141 3664.655558 4050.926316 4002.609383 2099.605599 2360.098578 2394.274763 2567.931546 2454.353765 2619.275369 2982.043102 1648.243969 1577.763401 1923.145085 1622.460477 1924.067083
(2S)-2-(2-hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one 1749.806644 1419.026402 501.7786343 1235.962134 503.9109461 1742.645775 2295.345854 1930.970553 2147.121204 2700.403801 2791.536335 1979.173435 142.1252825 31.44023863 27.9310049 25.60130123 21.22204432 85.12818023 78.9650326 15.88844786 21.55901897 7.747706178 26.88721128 20.57635156
Procyanidin B1 66896.72212 60857.10277 58889.29994 63161.85226 67413.58075 67608.62204 51705.80329 51827.95622 52599.8848 55799.88509 48405.20015 58213.45414 39970.85503 39145.95043 41253.70673 42899.90841 43837.01884 41154.90864 21698.21401 19828.76608 21437.53754 21868.00301 22845.19146 20471.80335
Saponarin 7953.933618 9819.397415 9561.572118 8590.491155 8401.143687 9369.380055 8157.710806 6200.841767 8504.894687 7174.941727 4838.270482 4108.118667 7277.637985 11541.21993 8544.634256 8502.993396 10609.50583 8048.681277 12545.89522 11481.20281 13150.70965 12045.02165 12993.76238 13920.33518
Benzo[ghi]fluoranthene 1543.714227 688.3706837 963.4354046 1907.636461 893.4964493 2063.72301 1510.900369 1386.586858 585.5072673 1829.865978 1632.735063 1656.132408 15098.86205 16575.04913 17144.74916 16967.76498 14541.77182 12997.1788 20237.50957 17237.06657 19001.10043 19042.97659 13959.50671 21424.42727
Morphine-6-glucuronide 4829.545413 10018.21675 4637.21334 5217.166387 5778.168306 9068.56395 8001.318595 4109.239966 9809.862363 5851.609368 4953.271884 9848.668723 71968.50878 68584.80413 84218.18657 101953.7698 101493.4511 108523.0572 25787.86657 1350.423425 23718.52522 24789.86789 24033.54215 24993.14772
12-Hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione 24622.02645 25745.63483 27106.91745 29115.36768 25466.43458 27495.34931 14652.76766 14446.78869 12717.56963 15569.77405 14111.31828 16107.55256 15392.20814 13037.46533 15240.71535 14614.60524 14092.28412 12866.11468 15894.59006 17389.57799 20054.09667 19138.53791 19168.57471 18097.27022
Chlorogenic Acid 290773.4969 277251.558 269209.8347 275313.0688 257679.3503 254272.1108 542740.2805 554431.3943 591130.3923 559731.06 393978.9144 565478.12 1219239.984 1209910.595 1241516.219 1175014.878 1203012.625 1205251.625 199858.6492 200240.5877 247107.5541 244153.8326 245865.6597 210142.0425
Janex-1 2632.58652 2163.174915 2283.140622 2135.138461 2568.13969 1217.632346 2282.429928 2260.527984 1345.530319 2145.983784 2153.443332 2186.63255 587.0602302 345.7464112 239.0576925 321.2939651 654.0694642 421.5089544 255.6131451 241.6389046 854.189745 1445.144567 556.0805254 557.4166695
4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide 144.6736256 188.4138935 606.029282 283.1957098 5.260465744 352.3053207 5.135203664 7.389675065 107.5466669 194.3342707 127.5263229 2.379725462 1097.242759 2163.799715 1239.556652 1204.716666 2728.858686 2327.874479 24567.89845 24518.89396 25360.5426 27914.10818 24057.74953 26092.70782
7-O-Methylluteolin 64956.34146 68467.16125 65018.38436 66554.5951 62703.56714 65245.19118 59284.91147 57861.90629 61167.15867 60386.01068 57812.11738 58864.84874 36969.24741 37235.37996 34030.80511 37295.88187 33293.65128 35559.26574 29614.71118 28279.22421 30882.3533 31675.04576 30396.11373 31660.02892
9,10-Anthracenedione, 1,8-dihydroxy-4-nitro-5-(phenylamino)- 34731.01957 34278.41488 36470.09895 22872.26461 36681.00022 21617.79147 20786.36285 37658.63021 22893.50223 23293.48866 23876.16769 37552.43807 1669.152993 527.9990771 639.1015948 1252.48615 600.5234341 688.1514796 15199.79733 558.0554469 12767.02028 369.3472695 13149.64805 1355.217279
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine 3989297.863 3838823.177 3863398.635 3641969.191 3774970.974 3625593.378 3258988.8 3273997.644 3294996.148 3212910.497 3248390.886 3158063.82 1283092.569 1334987.102 1186329.574 1350236.209 1208792.299 1243074.263 1034157.854 1082371.427 1090809.173 1079375.27 1080554.879 1035898.364
Bilastine 1654.475686 1241.479188 654.0005268 678.3873612 910.6737206 936.8341599 559.6690378 918.9104305 862.9054199 1043.303704 802.4748165 845.4193109 8006.47195 11988.81227 10838.54869 21209.05251 9798.223037 8854.436721 24139.2092 26960.11824 26850.89137 44676.33995 41938.16601 26416.3902
N-Acetyl-L-phenylalanine 29321.51948 29585.69517 29340.56781 29027.8796 26937.38829 28324.58825 31496.25509 31938.95805 30173.09308 29597.8341 31487.48221 29955.67131 28163.13711 27353.48226 27005.90794 28637.84413 26456.20083 26289.59784 35815.97962 33632.77659 36242.49762 35344.49549 33992.99386 35397.07156
Sivelestat sodium hydrate 2715.123088 412.8997767 848.5747256 722.3612129 544.4646121 2233.645091 1990.165536 1327.935748 226.3533762 1023.794182 871.724259 286.3217311 21384.22973 32596.25667 17405.19583 24866.58326 25502.32658 25754.07471 25891.30623 22236.75936 26428.56151 25340.37139 24259.93329 24181.14236
7-O-B-D-Glucopyranoside 25292.54413 1870.777964 2736.586641 4702.388317 7440.032518 5346.957778 5311.107199 635.8648721 4998.479358 100.1186621 1577.189163 5152.139235 6375.171362 10007.67974 7073.612724 6419.093661 4700.584557 10540.22696 4533.610291 4960.567277 4174.704597 6210.144481 8712.336701 7428.17181
D-(+)-Neopterin 3758.557928 2404.062933 2535.248654 1076.673672 3037.141301 2741.845953 2816.142722 1894.438649 4201.251417 1871.910164 1875.876695 1536.82002 2835.030746 2291.851466 2478.624798 2016.660783 2808.932993 2481.114452 5779.384916 5201.069453 5019.41545 5804.668553 7675.757041 6450.730371
Xanthotoxol 31368.69516 34327.08948 41038.39036 34233.48944 30908.32533 35398.34034 26982.9957 26977.97987 21380.25103 27591.86905 29586.76241 28120.94243 483830.5435 470089.8891 514885.6852 514302.9763 501573.3214 483198.4157 698780.4025 673202.8084 689526.1123 710109.3389 648111.7819 720495.6717
Eupachloroxin 131639.6857 137215.0047 133118.3729 135618.4914 125919.7018 125974.081 88025.03339 112876.1183 102762.8278 106340.2482 102314.5017 100463.5437 1084.109501 143.0855154 131.800709 202.7376521 149.1308817 101.9734834 1229.074528 106.0044391 930.3643733 924.8042626 1512.26762 2024.357497
6-Chloropurine ribonucleoside 894.4179054 796.3022244 403.275432 507.9561313 685.5198052 963.2580851 131.5777078 447.7126052 72.0216861 353.8757441 292.5882012 468.3125867 1456.01524 1927.118224 898.1967775 2670.230544 1430.048105 1303.843985 1315.979809 1966.232503 3984.583491 3261.915391 2540.784956 2643.905432
Isoscoparin 1280.984368 266.7238917 3499.442827 427.9891646 563.3942695 1485.770332 6307.719346 692.8510617 7886.992508 653.6047768 594.9981759 1428.289481 255614.3138 272020.5006 266814.4343 260381.54 260516.4917 266183.7497 34418.52613 23785.7235 33687.83567 33984.8847 34254.45759 34682.2472
3-Hydroxy-8,9-methylenedioxypterocarpane 17594.86765 18517.84114 19739.4359 20659.91961 21337.34719 18742.27909 16693.04835 18087.734 16539.68386 16950.20624 19605.50605 18767.22758 8300.043303 5998.314423 7583.623384 6139.997845 6523.358092 7217.059829 3329.409424 3140.129168 4131.169311 4958.854256 4011.42554 5497.113878
Lysylasparagine 120065.5412 119494.5504 125517.5867 125889.6884 118146.5107 120216.5407 169390.1897 167014.1734 165422.0229 172778.2721 182615.8541 173498.5188 2759.634487 3885.011841 443.5476204 3050.48028 2425.196492 919.2491624 6458.032903 6796.837915 8560.155778 7360.071611 6412.082432 7707.124113
1,3-Dicaffeoylquinic acid 15206.11969 15828.87329 15258.62516 17083.62879 14567.18507 17087.27759 122442.1346 123160.5296 97969.89013 155173.0769 170519.4775 119574.1077 4903.915498 988.2029072 4783.896861 1365.796253 4127.903933 1806.798601 5419.16743 4763.451537 4314.870945 7059.752587 3710.854663 755.5824243
Bazedoxifene HCl 1649.865122 1298.613502 1811.916696 1550.902055 1414.493154 1463.821524 1955.25079 1793.916347 1883.94198 1872.765665 2435.858643 2029.105381 5176.471962 6089.600633 5112.907867 6858.279216 6338.417302 6452.100578 11034.1575 11187.76479 11593.07517 11109.79973 10940.41952 13047.55514
3,4-Hexahydroxydiphenoylarabinose 23395.84341 19876.64623 22535.76493 30851.05972 18314.33944 22424.47991 31835.57257 38235.35223 35509.41957 28736.87333 35295.91948 36598.427 15210.31081 14509.77216 19997.67075 15755.48802 14709.20896 14451.26119 3413.023668 5620.337776 5079.651194 5978.974003 6346.053016 4233.671711
Medicagol 95331.66649 100125.7253 21164.63156 44535.78593 100216.5043 100386.2659 81215.68779 72667.58708 69135.36587 71963.53366 83295.37866 79200.17888 134.9426616 2608.78721 2557.269519 2039.913832 5132.242894 3008.171599 987.679307 18.02361158 23.39002481 34.54526582 931.023323 156.1720619
S-Adenosyl-L-methionine disulfate tosylate, (R)- 31.00257581 57.15771879 49.72425327 110.3247027 35.98701201 4.795960511 124.5430254 60.73767396 101.6965201 105.7854178 26.27502434 82.01088294 165.3413964 276.7454804 136.1713605 291.2184142 276.302207 303.6530581 364.3739266 284.8626455 453.2363602 362.5236762 438.9470633 500.9749997
2-{[2-(Methoxycarbonyl)phenyl]carbamoyl}benzoic acid 377.399462 3702.01586 1942.949163 1359.375548 1513.571804 749.5752793 443.735905 760.3890738 575.7528249 332.6505921 646.2192948 846.7742831 441.7588374 302.7613476 524.9607984 420.8722944 407.628812 458.5835149 1236.186265 540.2276216 1151.50079 250.6385609 1064.242739 656.1424404
10-Hydroxycamptothecin 63.66595379 334.4798478 137.7418398 217.3773123 72.9429753 90.04546409 716.5226273 527.2198807 568.9204384 642.1443468 675.4826513 37.53374098 891.102657 2219.160294 1233.385735 1803.241084 1056.549983 745.7148365 2597.169944 2501.966794 2445.574969 2673.661208 2411.84472 2556.081692
Oxadiazon 25986.59072 22201.84807 25229.67673 25353.73864 26502.31529 25835.39723 115899.2322 115891.8765 116228.8384 117297.565 123060.3237 120871.0573 6942.818441 10287.24132 2223.464326 6952.864665 6973.599181 7636.633603 1880.811731 1820.867952 1818.468755 1535.951685 1287.371336 1764.494129
3-Methyl-1-phenylpent-1-yn-3-ol 64.32977981 132.7374635 89.98268151 61.56710196 21.85534455 148.8260802 50.58660377 103.5617486 46.48106909 161.4364201 113.7112731 108.3564306 2173.974258 1505.183531 2149.52704 2113.081255 2079.841811 1450.269785 924.9053627 992.2571126 1522.458606 960.4675915 1028.703934 969.6763661
Lycoricidine 80244.10212 61396.91534 63362.14366 64120.96479 62727.0425 63738.93215 72093.01273 57766.28085 59817.63893 57823.92234 54942.36325 54224.95501 22710.85389 20411.57451 20981.10704 21022.88048 19976.11761 20244.0251 43538.84851 45662.55137 48082.19521 49043.54083 50545.259 51245.59249
Eupatin 76.29303382 43.38375249 66.3370268 109.3761627 26.3664707 8.791665998 77.73863059 117.822467 103.699168 102.1204007 139.6864713 175.7987807 1950.045366 1799.619484 2312.440831 2172.305021 761.0869131 2084.830532 32561.66757 29163.24585 31814.49633 31844.25306 32951.92036 33137.39417
Udp-beta-L-rhamnose 3520.951997 5092.29632 3160.249959 1898.384352 4334.144975 4786.104227 5682.549788 5769.116066 6173.170057 6335.896647 6140.332986 3762.678946 147.3679196 312.1355574 243.6191421 242.0144607 155.8867239 182.351578 51.8417736 385.350307 278.3940632 223.3385693 287.0610718 372.86956
Etoglucid 869.7166125 768.3281052 752.7430746 710.0333252 895.225248 1530.135241 1502.431277 2067.397257 1726.048857 1435.951513 4180.389956 1684.487906 12697.23169 11485.05808 12244.63304 12509.13269 11584.57639 12248.75925 16055.45921 14643.12105 16488.49428 15796.48545 15839.23691 15450.59816
Prostaglandin E2 Ethanolamide 31627.13012 29975.56753 30789.04723 37505.08207 28348.41424 36592.37568 36269.41985 32988.6309 35745.44787 41583.55606 38120.34469 37784.64987 31380.44418 30810.511 28342.51884 25677.6384 28567.99296 32785.67552 35917.91216 34934.92408 33100.96982 31953.53958 33041.21534 31705.84399
3-Aminopentanedioic acid 90276.17606 93720.25914 92506.9007 94680.0579 88385.23527 90219.53176 118295.0069 123898.6407 111543.6752 111414.2714 129616.9433 120175.3765 59.63263157 315.7993124 4968.954321 114.3240532 170.9752779 110.1500363 1138.47615 46.00232342 37.31304783 1079.555288 21.12704895 390.0848063
(3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol 744.8409042 702.5860333 467.6566494 387.6970149 369.2346039 1176.346546 3069.696199 3007.202343 2985.195695 3174.891091 3169.755147 3011.795916 565.9015424 711.6431157 616.511257 478.8353321 469.6505272 18.72183948 171.2154711 12.48110627 227.5059374 3.120285639 21.84196855 192.4873911
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 23613.63152 22722.10479 24931.78006 24354.75321 22450.11477 23772.72112 23874.03636 22936.02093 22480.52892 22681.57051 24802.11687 23237.07231 82060.56992 150332.0969 143461.8538 86705.35698 82828.9026 78266.22384 74241.78899 75247.79493 84093.33634 79477.67629 78050.33717 81646.11675
"Quercetin 3-O-(6""""-malonyl-glucoside) 7-O-glucoside" 21029.71697 23338.98406 25395.09929 21842.16859 18204.32107 22707.86908 8376.752456 8596.053761 7183.36253 9510.57123 12745.18339 4925.151208 23483.74118 25704.12368 31834.75023 25904.20781 19975.69264 30469.46599 24327.60413 25978.33054 25812.98011 37148.24235 20652.51903 28436.52197
Dihydrocapsaicin 54.95482142 345.4088607 467.1807979 206.2026934 325.1507564 518.4570759 676.7947942 775.0355184 633.3090945 602.5630717 638.5796541 904.334328 1578.935588 1127.224844 1190.563491 1615.063398 1449.613968 1484.826218 9607.450377 9021.873278 10282.07498 9805.134512 8679.889472 9178.85603
Cardamonin 168973.9627 157925.2174 157698.0974 160909.1117 153989.0205 152782.4094 105263.8949 110521.98 110378.313 105485.1332 112459.3449 103099.4918 35387.49589 24483.55821 34696.91635 23240.52252 23531.54176 37459.41031 17068.31365 16737.78823 13345.32069 17405.66064 17428.06889 16769.23359
Methyl (2,4-dichlorophenoxy)acetate 3188.432903 312.487006 688.3698687 307.203971 237.964708 269.4873303 885.8992208 67.41745169 1136.874525 114.4267966 893.0968262 812.4800755 407.682518 5593.176193 4729.385123 6277.964627 7314.392003 3513.339629 6136.898447 2416.802685 5474.815223 5390.509439 4268.773196 5900.521624
2'-Deoxyadenosine 5'-triphosphate 4374.204724 3626.163359 6072.790807 3700.839054 3851.252553 3903.290697 2045.747904 3516.709572 1452.545012 2328.816359 1967.777994 4405.506846 644.6615957 359.1447787 607.2564379 442.676218 798.7003914 594.8213258 316.5017452 52.59821087 308.0947253 22.61322945 45.94962215 235.4836447
Glycyphyllin 78089.95058 80281.43985 78857.51291 80777.40517 81349.20496 74860.12516 23941.76385 22435.27252 21467.23058 23096.40477 17978.46213 22018.57402 2198.615527 2063.108855 3419.578738 2819.798941 2380.044939 2664.088639 94.55392997 578.8817222 623.858768 537.918388 24.65741519 319.0974101
Marshdimerin 4905.264723 4236.10627 4754.999214 4290.754803 5291.131963 5217.989942 4020.357082 4672.152648 4651.888911 4074.238031 4564.851873 4920.312636 122260.1458 122665.9629 132109.8878 122657.2081 123910.2225 121445.1602 389023.8319 413286.3734 389724.9916 406245.2214 407673.3098 402953.209
Harpagoside 235.3070986 404.9345489 623.3706777 639.6394898 138.7440653 435.0612221 255.1921964 428.1338507 504.6605696 97.01523587 375.2590749 225.213828 125038.516 109587.0372 114550.6381 111751.9689 117116.6733 117689.8628 136390.0127 129712.4978 142147.3493 149448.4202 128103.3308 143717.9335
2-Hydroxyxanthone 1060476.495 1038506.18 1058019.06 1083951.788 991290.1236 1120327.594 927996.3718 923800.8762 875575.1883 885461.6856 935696.7481 889867.4377 13769.82146 21592.15441 20128.20937 9267.014898 23655.36679 20650.08651 13257.06039 3431.249842 17054.76032 18383.989 17398.38313 17932.95198
Bepotastine besilate 11117.28375 10791.10067 9059.168314 8449.134458 5267.081326 8385.60196 8485.635023 7794.442423 8945.601201 9810.805985 8895.348122 7543.98197 478.977209 310.1757314 1236.507081 621.5157045 2247.92218 744.6582354 7006.901692 8330.328539 9919.757579 7932.00793 9191.141075 8535.436926
Peroxynitrite 23425.64245 29289.70716 30331.33771 25017.47194 30193.24752 23761.32812 77272.58458 70123.19074 73542.18387 9570.298724 76770.77669 72364.04196 5208.97803 2653.203686 4223.934442 3130.599027 1174.953595 3284.585361 33802.56557 46441.70684 46034.29357 33318.0679 49389.22169 37475.47114
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxyhex-5-enimidothioate 3997.727987 3596.047493 2779.704347 3875.725132 5126.759501 4569.026909 268.2162066 407.3602585 460.3594076 632.0021132 1473.639672 89.58479164 6952.808853 6357.445594 5757.102869 5692.917918 5055.621418 4601.688661 1056.318097 274.3034512 445.2788281 1096.528035 103.7006372 1104.684776
3-Butenylglucosinolate 314.294475 55.49968395 28.07146925 259.3417391 239.9867415 43.3507765 862.2027833 805.3877533 458.5710246 375.3561149 875.8608741 263.8320578 4703.143869 6637.219521 4279.594667 4732.265244 3936.134149 5231.662359 3623.937262 5341.915214 6966.286582 4029.474512 7012.704674 4551.520709
3,3'-Bis(4''-hydroxyanigorufone) 1881.227917 2461.665793 1063.390023 1503.593303 1151.220657 2061.809295 575.2080153 497.1078786 520.9787243 452.3554517 625.3830845 652.7273134 1114.130406 961.9654162 1080.686929 823.9481624 1123.759983 1255.082675 308.1504003 183.3548883 327.961367 343.6971051 198.4453764 262.4112837
Aluminium acetoacetate 12276.79619 12112.33568 11864.1859 11602.79617 12197.53281 12882.86574 18942.76033 23866.06049 22834.66611 21097.25995 19193.94246 23594.06885 644.5123437 238.3950448 613.0577408 1019.169498 563.9255608 735.4109004 144.4476036 550.4205989 51.0642134 146.562699 90.84339388 433.4798045
Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] 211647.2174 207438.3538 182430.4213 201662.0152 203547.4332 192063.0688 216346.0126 183583.0881 203604.1486 198074.7556 211785.6909 215260.0778 128294.6072 110246.9341 106546.4181 107733.1926 98523.59351 59052.39032 26815.94609 31258.2988 2202.265842 35605.61942 434.0867355 868.1727111
Pinostrobin chalcone 28487.80837 24389.86278 19037.63193 20256.71067 28216.53782 20774.92236 33042.91433 31229.60652 33246.79944 33453.65619 35220.66434 34162.84824 38.26402031 1725.088144 1314.389806 41.68886697 21.43158841 18.00653178 679.0502708 466.9300606 673.7475295 574.7487665 114.6939906 50.98566612
4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate 1123.192734 1788.741618 126.2706196 1522.487961 1168.581872 48.56547732 1001.108725 370.2003705 222.7381683 1586.808909 391.8337637 411.0370536 7968.210661 7030.172394 8888.60977 6417.10446 6400.647761 6689.423323 17953.86532 21077.11361 22614.98088 21593.52199 19263.30607 21368.30442
Naringin dihydrochalcone 132391.8361 135405.4633 126702.9706 237816.2485 225268.0853 115984.726 149753.7237 150013.1595 146743.8835 145591.0216 159507.8366 147908.244 18027.83883 17915.5693 685.6390886 570.1923815 258.4326866 15561.55429 8432.213558 91.41830262 355.5651949 59.62712556 30.47289002 241.584811
Momordol 69254.30058 65446.69333 70143.76743 72041.1315 67238.09671 71645.2104 74113.81318 70336.16982 73853.07102 74648.16959 71116.48013 74814.80131 96388.32552 94395.08333 95280.5073 96241.10766 91533.77445 87131.25475 101264.882 97461.63458 99457.01861 95562.36888 102647.9434 102151.0612
(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol 5384.521984 5684.412964 6073.796506 5549.998856 5090.196116 5692.445456 13983.03146 12132.12796 12871.99425 10768.72912 13220.88657 13785.806 10.19460148 606.326175 1005.973472 917.9556569 1070.596169 1680.850291 38.57813319 33.69871841 25.9220387 309.0199604 7.079573829 45.43993897
UDP-N-acetylmuramic acid 8282.710363 7774.507802 6202.572 6446.177675 7227.174945 7864.205981 5701.738163 5161.23825 4014.370389 4696.001409 2358.154696 4201.19058 523.7604233 564.8843194 449.1977936 480.3092548 729.2949067 492.8396074 76.60339488 136.1403223 132.4232528 49.38302268 383.7978278 107.8702062
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 454.924174 427.593509 521.8335109 428.8213108 500.4333293 393.7723783 2.616484106 189.8810922 152.5480687 1.550508652 5.572181172 130.6358624 28.94748105 7.874117541 11.09580504 22.63005601 18.60815307 20.4965346 91.52026054 75.32057279 158.5766234 132.4014601 115.2828901 142.1306127
Boscalid 24298.5868 24283.68459 23070.17606 22008.50099 29704.53774 24051.58077 17918.95903 18947.97708 18743.09029 18608.32872 15259.60182 18739.11979 13779.37275 13976.84001 12817.2748 12115.88045 11229.29912 14619.04985 7264.255643 7343.850417 6582.448763 7926.961909 7417.921903 6466.626792
3-Hydroxydodecanoic acid 252.0902193 151.2336668 95.63422001 135.0573863 53.7044865 179.5075121 89.94323977 30.59783862 60.83296383 10.10440567 43.83316242 164.6574046 2070.729874 2336.349259 2312.142436 2023.027812 1923.371087 2455.072247 19636.22858 18516.99589 19764.20051 19689.19425 18667.79877 20341.75893
(-)-Catechin 4739.339781 6755.660189 7487.373258 5230.880448 4205.460823 2526.201254 2539.174404 3165.652922 1470.167036 3261.954321 3105.294263 2015.041612 33092.49522 34548.85078 48624.70737 51017.165 51698.3115 46384.94938 39338.02541 80337.36845 38066.35151 43156.01254 39023.83451 46338.03935
Abacavir sulfate 307.1621639 296.7738693 429.5872441 333.679251 580.4261569 845.0724152 1013.146041 377.001603 1491.935526 1317.315446 178.3433975 639.489264 12243.6747 14011.68345 13327.48216 14743.10715 13671.1928 14978.32438 7811.811977 8451.735697 9326.824533 6860.005551 8182.24324 8529.505917
1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid 398.3663257 274.6216511 312.7271688 366.2362148 163.4014713 169.8984384 615.4399331 1224.516024 138.1692807 209.4454082 1142.01326 149.1022531 156.3519059 199.4710528 26.39707551 75.96621443 197.4406207 54.94420943 2070.57645 2929.492947 2247.348615 2511.456986 2513.097567 2676.082852
Arachidonoyl Serotonin 16571.78353 15559.35419 14737.84707 15792.99749 13815.7777 14388.39783 28158.48121 27551.88404 30443.01176 28362.13825 29684.6965 29415.88985 33708.07959 34567.62207 35385.13126 36155.74411 31863.92527 31648.28931 39779.57636 42881.78368 42442.48685 42544.09112 40094.78736 42688.0592
Anatalline 519.8746555 859.4562904 256.6441165 245.8119454 1255.758245 544.7955422 322.7835263 93.07549665 403.7589961 376.5837753 356.7627089 115.3633995 699.3092002 1283.609242 201.6505649 359.8796717 281.1497573 1236.526636 2592.599547 2873.787407 3347.384862 3038.375653 3056.521309 1766.40891
Pretomanid 1601.866105 1705.70392 1325.842375 1394.654093 1265.75495 1150.597427 13.26580607 145.4302615 290.0320941 648.4343008 1161.839513 1118.432097 1606.982858 1807.28481 1320.603929 1968.021729 2391.560116 1881.536558 3895.636079 1106.314829 1318.02628 1521.757373 1081.580971 1214.129558
Moxifloxacin hydrochloride 14154.87091 13385.26999 11834.01586 15463.98844 14171.09362 13657.47615 10736.95524 11011.08439 5785.268068 9464.471772 11277.9964 10620.61672 869.2171705 41.32717507 419.7766619 1280.600419 521.3871532 1059.5348 139.3834326 110.6010487 2740.737235 175.2500399 440.8312478 18792.59289
Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(3-carboxypropanamido)ethyl phosphate 86767.43621 67629.87025 62447.9607 83027.1583 63942.33669 66368.40826 58834.24749 59913.21672 64573.07126 58574.73748 58886.46283 50616.38492 68746.54169 2955.274699 10841.38585 9934.547497 10486.67007 8951.532579 5008.663928 7246.316586 4468.901835 4090.286002 5270.789793 9014.435502
1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1,2-dihydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid 31556.97566 28087.66311 24566.27604 26734.57632 27276.17083 26708.77004 32583.7956 29830.00475 29359.87498 27801.85722 32578.39536 48537.29956 3636.099935 3211.173909 2136.670779 4445.006926 2328.885404 1118.516321 3133.930694 1683.152689 2479.843585 2671.430072 2223.057497 1922.603152
CID 53394082 112.6124924 645.9047742 287.471247 114.6339106 1991.896329 708.6362307 1116.450795 438.6682216 2149.256786 1340.701913 1550.671783 272.9593845 38.67995664 308.1143062 171.0834722 70.67871577 181.2822311 116.7432923 59.55764253 136.4536513 104.0373317 413.3486988 50.10819597 100.6633645
1,1'-Bi-2-naphthol 40363.59103 40023.40674 40788.12074 36799.43232 38178.1131 41867.92532 43071.75357 40363.81912 43449.53829 41469.9188 40094.19832 42697.79513 21145.10541 19724.62121 20531.44647 21549.89974 24713.8937 20855.26881 12153.22777 12370.0447 11689.33431 13882.9164 13257.47945 13262.13722
5alpha-Androstane-3alpha,17beta-diol 278.7675257 587.6419713 754.6197947 443.3358946 215.3744023 304.7136292 167.2129769 236.9344438 308.2371692 73.93969177 488.6624021 495.3873835 2760.35575 4408.289082 2745.036053 3699.069431 2188.163244 3207.694559 12341.74448 10989.82801 12768.20504 11166.04588 11289.7572 11476.38182
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid 6407.033187 6500.183356 6176.113333 6177.702338 5327.714412 6655.486405 16756.42005 22384.03671 12199.4125 24915.11465 19884.57118 19361.81109 10418.51432 8954.115813 10987.53212 9500.654963 9818.031612 8874.309356 6563.351276 6198.939852 6976.784003 9327.435431 5946.64424 9323.967379
Laccaic acid D 127611.4304 123432.9138 126500.6924 125700.6748 118281.197 118223.0805 585831.882 535296.5177 546133.4708 546580.5822 542719.9804 508278.662 58265.27124 71264.13344 52114.82871 68655.10265 76911.94576 69265.78338 22917.50188 22258.44224 21281.51719 21595.70532 20734.24915 29291.36928
1,3,6-tri-O-galloyl-beta-D-glucose 22013.95854 21945.33494 22062.74796 22175.6008 20848.49261 22584.15462 24748.39864 24960.62433 23288.27197 26290.12191 25693.93388 23351.4317 37804.61898 34193.4029 35089.50696 35548.45271 38935.51458 34353.63491 43039.67085 44957.65918 44708.28877 50165.68789 49424.36146 47165.21617
Chlorhexidine gluconate 3901.316865 137.9939988 718.7670564 1181.722423 834.4699016 142.9127467 661.6967453 248.5084787 179.1347408 1929.396982 1081.454083 315.9701167 2916.477254 2216.240692 1537.961592 5326.431823 3131.4669 3275.150553 12275.74091 13953.16927 12726.54393 16605.01651 11962.18385 15076.35178
Diprogulic Acid 20685.64127 16773.01045 19630.76614 20182.76257 18897.43843 19251.40069 5933.145011 4040.439354 6101.643989 5718.219661 6512.120767 2947.004745 1953.056729 2036.039907 1892.038746 1707.138358 1566.249552 2051.250059 245.9133066 188.1793929 57.17683834 244.2606329 164.0634729 94.13160281
Myricetin 7-rhamnoside 1128586.922 1076905.632 1085220.869 1126269.631 1061175.565 1016922.603 945136.4498 927071.7976 984427.1636 951983.2298 957384.4513 1082131.797 3804.790093 3130.520803 4536.100733 878.8979865 1030.712232 3457.550067 181.345419 19576.46176 424.370286 350.9313189 14208.56725 25730.33536
Madecassic acid 3398.291145 3323.836065 3375.675337 3528.227441 3252.685588 3269.904201 4569.657762 4873.690997 5463.417682 5840.482595 4892.638762 5108.217779 347.0945861 511.5759674 358.4149491 319.316382 264.185665 392.0292841 107.4896084 41.95006603 135.3726068 101.6891403 69.55481872 142.1133948
Gefitinib 6668.339365 6702.00347 8150.717782 7104.384201 6656.259924 6870.070438 5239.826304 4100.555266 5039.691187 4627.444359 6544.804026 6252.87115 33983.20183 31019.3195 33314.47548 50454.67728 50496.90798 32619.16847 8259.367693 6952.200442 8176.635124 8435.836941 7842.153807 9257.395233
L-Acetopine 2965.773055 3298.030624 1399.54781 1933.427078 4318.140797 2920.707784 1350.85624 2197.510016 1031.591582 2068.999356 1681.654967 2258.014322 80.30099071 74.86941112 176.3122125 14.74108883 151.3877992 70.99035408 60.12849086 228.1022118 58.73602892 120.5460961 32.58574206 79.68463704
Fluspirilene 127.4162511 61.32530242 54.15889652 6.443789419 35075.62293 74.51703403 270.0070409 89.49373032 281.9532917 38.38158063 143.4455418 86.76283658 341.5773757 957.4362291 943.2184623 1349.059509 578.0064783 1131.749396 118.3139086 156.5070978 81.56205618 157.4122871 230.3392606 516.6239926
XV638 31512.6396 25046.00429 29769.07463 28414.04889 21243.47844 27581.71692 15036.19649 16580.12835 17906.76727 15703.38502 17421.08386 10223.8093 30.53459967 2182.769936 1597.554567 1583.290623 2010.447498 1958.968779 585.6444663 667.0779162 682.2278313 745.3177253 44.43995687 64.84031661
Methyl beta-D-galactopyranoside 69850.16737 57966.08086 65245.62057 57887.55251 54947.32471 30918.16788 672702.5607 621840.1741 553572.0366 1222485.521 708054.0425 714868.5801 324805.9632 304267.356 536458.3603 316119.8466 431466.6268 345224.4665 19110.17846 15359.30764 21978.04955 14586.57486 14863.41049 19433.63579
Garciduol C 512510.7088 506783.7324 502204.7698 531195.0994 494511.7061 543108.9543 635274.7353 658416.3612 661796.6451 666208.2405 709792.169 675765.5706 15479.15418 33022.15666 8917.227339 6362.965616 31156.97258 7638.162253 16846.86349 24380.88558 16828.35615 20799.41248 2036.585303 20000.63166
Indole-3-lactic acid 1285617.108 1286337.315 1325664.886 1282858.388 1273262.799 1298750.129 1128179.533 1096975.985 1164301.749 1154028.967 1177085.235 1130878.851 751748.5827 743941.2464 759583.9654 749341.4447 691726.4504 725550.158 617417.448 641626.179 639556.0761 638363.0142 641978.5931 648794.1903
2-Oxovaleric acid 4262.224071 4912.924757 4760.180628 4690.156954 4000.124102 4234.496369 1752.21087 2445.483223 2250.429964 2759.896889 1937.652445 2733.257507 37735.29848 36232.46892 36622.08023 38480.77877 36939.29703 37408.66445 25832.07917 25281.5585 26116.25111 24832.62875 24908.05447 26546.36322
Ethanone, 1,1',1'',1'''-(hexahydro-5,2,6-(iminomethenimino)-1H-imidazo(4,5-b)pyrazine-1,3,8,10(2H)-tetrayl)tetrakis- 8522.443022 6928.575269 5808.533054 4757.816728 7808.948131 9553.689475 7714.088047 6300.893464 24919.42638 6100.298062 5747.02493 6240.159812 5978.685195 5576.422592 4725.747405 4943.437868 5300.172 5698.735997 9022.821655 6153.054637 7141.11397 6102.685191 6672.99153 9107.566501
N-Acetyl-D-glucosamine 6-phosphate 7916.870675 9125.253331 6867.356714 5047.04909 7646.727368 8400.221947 28981.53432 28103.56896 19570.20058 22117.49082 25674.16516 19433.70887 9969.616342 9954.426343 11632.87504 12620.5335 12046.92828 15211.01564 593.0509681 1221.326905 933.391801 930.8897959 1117.295989 1081.028483
CYCLOPIAZONIC ACID 3671.981559 2751.131641 1958.190679 1711.59968 3217.43921 3294.02409 3048.140385 3441.824255 2096.080111 4136.823692 4411.67539 4013.626408 16856.17785 16977.07073 18718.40407 16845.01631 17874.25562 14768.35626 17872.25475 17327.26688 17408.72548 17255.20464 16984.12704 18395.26277
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin 251.1876018 663.3453533 498.4232269 324.2093084 135.153918 265.1390508 186.4664169 551.0088668 119798.5392 292.7226935 178.4034909 210.1828614 1315.306811 831.216587 1015.435423 1808.702963 760.6992301 1548.159836 3814.823211 4496.390173 3101.309049 1490.160371 3121.114425 5159.649393
Flucarbazone-sodium 1307.841363 1276.645312 1119.459882 1246.217764 816.4156823 524.4776805 410.165834 567.2216548 1216.395125 865.9207616 770.8217986 866.5134408 6021.598475 6603.599651 6987.782439 6024.47246 6553.562116 5680.394286 7583.274512 6886.895583 5946.363812 6776.649767 6082.0047 5931.538925
Bromazepam 4174.033172 2097.138246 2584.026062 5149.998073 2073.70977 1870.521634 2620.11668 1397.505024 2675.794426 3984.826264 2070.878426 2054.123818 2604.23642 2648.437917 1824.657163 1970.811406 2090.435157 1446.921055 2223.33931 2279.791881 2536.032024 2644.412315 2195.6583 1801.628034
Methyl nigakinone 59533.97843 45498.12323 55483.69522 38102.33399 36700.48865 43800.92051 4561145.57 3874417.331 3319418.461 1123417.792 5004938.42 5252300.882 859214.6433 1302592.868 1584922.825 1387472.955 1985526.9 1312701.927 1635.22328 110.9135909 2559.091106 296.7282719 592.2257216 658419.7538
Nigakinone 1585695.847 1075996.95 1245455.509 1727087.549 1302937.908 1606633.841 659068.2893 748081.1445 554809.1552 735204.7622 696687.0994 708580.0689 189278.9796 198349.1284 198214.2063 192007.0438 223117.3361 220518.881 107700.7487 13562.94405 115696.5145 94504.11953 110842.0836 133876.1022
5,7-Dihydroxy-3',4',5'-trimethoxyflavone 110600.1109 117184.4569 112964.5127 114900.9348 111643.2181 112875.5413 105829.7171 109559.6187 106147.4085 106256.8874 114742.031 105018.1492 1496.310396 1596.627939 1373.035353 717.3610217 1524.184268 3937.669554 2989.957602 283.7210769 4845.03022 8249.359897 790.671908 2156.764979
Vitisin C 58288.30432 59554.39797 55262.7491 61540.29029 56414.29713 53295.12628 38869.47163 54256.93467 56950.25679 38457.34872 39377.02176 39834.74159 146678.2799 80379.56025 85651.82851 85973.01536 86237.98871 83259.00539 68783.44316 63856.79218 72149.12363 68357.71919 68440.10396 103435.0008
Viniferal 14328.77711 13884.52315 16487.05066 12307.82345 10280.67764 10230.23375 25765.66125 31207.78368 46573.68044 24179.32283 28012.47149 27465.474 1796.45155 780.7728394 930.7284114 1801.631173 2478.46232 3381.447216 2529.151671 3172.389966 1624.311853 3848.246384 3614.878356 3559.0005
Lisuride 4199.03115 2407.214365 1508.768337 1981.617871 4210.800749 2269.015486 1021.102265 1191.844517 1492.898442 1193.238133 1559.418643 1130.286904 202.4912502 14.39922972 9.066184838 23.46463705 392.2186952 208.5669929 332.3087384 167.7512539 197.5199419 201.1771873 98.90861842 13.79924753
2,3-Diphenyl-1-indenone 91.25118074 185.2373286 374.8500805 280.0832207 116.9499498 295.5050393 94.43616955 102.4709311 64.24133159 217.1270076 238.7876122 161.7428877 1175.954654 342.5870629 1161.542354 272.3368234 723.4033856 715.8016289 1849.14658 1597.526509 1643.828873 1418.914117 2071.943483 1686.68154
3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate 60905.70976 78370.90603 45455.69343 38616.16376 39499.67306 40187.16291 54547.831 39120.20654 36469.81648 36247.31647 37428.09403 35758.03255 13506.08419 13129.62971 7380.588782 10525.85265 11950.23612 13401.64012 14239.31129 7467.320333 11028.60719 11971.53512 13262.23737 12314.83078
3,5-Dicaffeoyl-4-succinoylquinic acid 49838.36973 41489.84182 39596.07846 47733.7741 39139.07892 48139.18699 19342.75466 23441.2492 20100.69095 16812.22274 19175.38665 19362.84997 1724.571504 2750.221236 28.42132805 40.69405625 2506.030955 88.00909407 1455.788693 36.49542117 27.12940446 90.7544192 174.8872927 1225.581544
Brofezil 549.6226182 480.7902231 672.0165482 501.0870978 127.4035157 595.4693653 778.6537412 1139.093955 992.9875667 1028.430426 1744.68278 1143.927312 20400.82667 20854.17633 22067.23588 20966.70074 21114.09907 20328.56842 26883.53314 26945.70713 25808.67318 26615.26381 24654.66131 26921.89336
Phytosulfokine a 8466.376318 9966.645194 9578.966289 9322.873813 9800.39232 8231.511739 4316.329702 5454.850519 4529.631565 4430.072731 5394.94227 4372.112794 769.295923 708.1489678 620.5588445 1085.2813 523.5478575 551.8586485 2611.619209 6583.492333 2766.503721 2567.607492 5316.352314 3970.901651
O2-Vinyl 1-(Pyrrolidin-1-yl)diazen-1-ium-1,2-diolate 18663.77501 20296.37718 19420.06707 20143.32942 19880.59808 19101.76059 13327.85988 13743.36496 14817.24524 16801.94556 14320.45053 14763.26503 10759.28804 13136.3252 12760.65374 13829.64513 7706.236634 14452.4906 1339.189918 517.3063533 1361.421445 908.235769 2087.766966 1204.518494
Myricitrin 469858.8901 386608.2287 376346.2333 371348.4559 372184.2493 357089.9224 332014.8586 383692.348 320687.3859 324793.2881 340619.9563 318719.3061 600775.2722 583651.4428 622972.4092 623886.3726 615801.2929 563274.1937 1232006.863 1286334.335 1278532.182 1256826.814 1227648.899 1281958.317
Salviaflaside 38659.22669 21099.13966 51582.99982 68873.23903 47552.40826 28921.90346 46398.8 76752.38436 47034.03329 76265.66858 55781.42146 24496.63946 423571.5288 387180.5385 253681.7747 278868.7026 116853.1957 338817.7091 454537.1766 431350.5331 464992.5172 459970.2628 436383.3643 468549.0138
dl-O-Phosphoserine 2642.058768 2080.097402 1664.819967 1384.125978 1638.479571 1293.157952 472.4723949 847.3105165 1710.254303 717.6352109 955.6756819 715.516082 56.99780402 253.0319639 309.1689472 75.06173837 13.40548209 22.62787909 12.20129969 116.2197705 177.0644573 11.12378372 81.2207912 16.68561596
O-Methylsterigmatocystin 753.4209758 2579.146439 861.6705669 674.5106282 479.8877282 1513.773895 83752.86815 63053.58969 67834.9242 93738.29279 108225.5123 129961.9214 535831.8172 434379.6742 561654.0489 447792.1116 417623.202 444462.5706 615588.0634 765472.0201 777244.3328 815472.1921 765488.6836 632086.2811
Delphinidin 3-O-beta-D-sambubioside 18616.88978 18991.25081 23506.38875 9600.303881 22514.66638 12498.72252 8024.792733 9079.67172 9000.20583 10535.46805 23169.65102 9778.070545 9109.916257 5463.356451 3711.201504 8849.083962 3512.409926 2223.527856 5637.280834 3894.410595 5026.35322 4825.15924 10245.79844 2723.183597
Mevalonic acid 503.6351003 626.1115935 502.355631 293.611812 344.0302957 708.5658232 223.8877787 1872.698932 348.326907 319.6540753 439.3639324 338.2426797 57360.8935 37090.98732 57458.34666 56149.41163 37272.28247 36935.28567 46179.27086 42589.03019 47057.63313 45501.81816 83014.16141 69122.98304
2-(3-(Trifluoromethyl)benzamido)acetic acid 40594.08884 37008.8866 25379.72956 44930.81256 27288.89193 36478.67441 18147.22087 30892.48076 18631.77231 247.2380487 32318.20711 16182.55056 38198.79067 43668.74195 36884.23233 40017.10726 42536.26776 38332.42824 21630.53943 24961.65302 21901.39014 20856.64955 24523.76695 21675.74982
2,2'-Dihydroxy-4',6'-dimethoxychalcone 136.4968519 14230.02164 63.45141409 386.2794436 93.62875279 292.4919354 10295.32812 10206.20851 182.9236632 9787.857537 10836.60315 11239.33447 168907.8302 175182.4694 174418.7677 178381.2307 171413.1986 170766.5999 111118.0147 112142.9266 115891.2018 111727.4389 107441.6766 112153.7946
(2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid 140607.7085 240798.4648 140851.444 136878.5943 126146.0896 138814.9115 120708.6577 118415.8106 116576.1561 118681.7243 191205.4554 113092.8184 347.0387145 3102.688459 1808.201686 1839.264311 2673.604544 1519.417143 1280.098443 2199.63972 1622.284495 830.5284675 1225.373823 2084.47944
Atractyloside 50650.94491 51021.7044 46004.20936 47192.22432 43801.49578 49906.48138 44219.05546 49464.06895 46996.97767 49933.3815 50492.05376 42042.66776 2791.405572 396.5241223 204.6774698 404.4812553 569.2651135 225.2915836 139.6744719 110.5873527 47.19860746 508.6189591 65.30979193 179.7386312
2-Amino-5-nitrobenzophenone 16623.73983 17642.18479 14875.64202 16748.73256 18574.33282 19093.28406 19511.70011 18493.01995 20625.87123 22021.65652 19264.00406 24398.80906 19268.02815 19578.16371 19632.21273 17819.82254 20594.82108 19932.40955 40770.16374 42763.60454 48029.19131 47902.81262 45058.62846 49498.78534
4',5,6-Trimethylscutellarein 7-glucoside 3633.191571 4521.223071 6077.491354 6370.956979 5939.811873 196.8397871 869.7038404 1289.578464 381.7127292 1746.719618 240.9265624 1661.872285 38502.13758 40237.73653 36774.96838 37049.70433 37722.90566 36115.90712 59923.40376 54023.36147 52251.07798 58619.80572 55757.20207 59842.46061
Homoplantaginin 324583.292 1487.108495 274776.0415 1074.590875 254330.4681 310373.9861 558577.7191 578742.9042 570368.9563 539461.3408 576203.6856 521102.2413 2266819.353 2375356.499 2413585.891 2247303.909 2170575.185 2294717.943 638989.9655 667266.0762 702120.3341 663841.7084 632469.5257 755040.7862
Simulansamide 122.8539085 286.4864938 54.75800725 113.3990223 26.20210444 30.97503983 715.0552855 850.0009486 112.5298806 1958.378751 1489.3907 1130.442341 5181.07734 8532.521965 8574.466465 7294.146612 8498.859852 8813.542079 7851.086847 7522.704365 8886.205437 9930.074774 8260.062919 8948.747378
Delphinidin 3,5-diglucoside 40540.34166 46341.79001 3889.271582 15537.91553 5068.823446 50356.08507 25295.79499 24686.10528 25678.29676 10294.28143 25205.53087 23431.75684 1051.573028 2742.609477 2490.230404 2685.228628 2876.416347 2696.735513 911.5167422 811.6944737 382.8376432 976.9759357 819.7805991 1458.687725
8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid 7757.139305 8880.57723 5292.129167 10661.32502 7988.774348 14381.64833 7128.814921 6877.531708 12319.16574 13420.62836 8620.952165 7965.442312 68932.06432 137731.7962 68976.19809 67246.17822 138145.5295 65162.98094 54420.52883 51226.93211 53731.59565 52931.75133 54008.51699 53318.85452
Garciduol B 14900.14358 13908.55933 15806.6093 15339.23786 11310.22213 14660.7311 17673.46383 17150.7669 18199.25884 16592.57223 14393.41732 16493.11955 24236.7526 29108.27211 26417.85696 24550.38529 25562.4752 28304.24052 25373.68432 31942.45018 30990.54017 24168.38301 32282.52974 35043.46833
Garciduol A 93051.49908 87005.20865 85129.52048 92477.22515 92859.44337 88499.22246 101152.059 103726.3841 89426.12314 97533.39323 101290.876 103267.1523 2948.366855 3998.343512 2775.651953 4256.90756 4397.486158 4456.413269 2112.899292 2423.016244 2961.066325 2457.114409 1426.963015 3047.752784
Picrotoxinin 154178.0444 149910.0955 141363.8558 149030.3739 274242.418 140332.0651 251966.8013 96509.74347 86811.84916 93842.66008 240330.3218 227986.936 1595.289397 1879.936457 786.3178196 2653.785808 1091.95192 3009.10091 282.3918586 278.0023337 89.75833534 205.3844249 174.1143457 5861.816696
Khelmarin D 654.4540904 546.5448057 593.4707461 925.428042 638.2650814 638.1894768 59.28382746 301.540707 186.3131444 262.7413958 106.7879647 169.9638548 168.8997322 76.87514137 88.03494181 54.19041705 132.8548071 172.5382661 190.471808 80.68460948 132.0627967 220.1751364 188.9936581 65.49665294
4,4''-bis(N-feruloyl)serotonin 6518.69167 6358.975388 6502.426844 7324.067867 5487.273053 6470.230516 2821.446335 5055.627545 2806.760975 3565.923271 2397.541183 2974.819307 664.2689992 988.7382616 884.4227267 1076.227058 299.0116799 660.5155246 303.8567646 52.17874877 289.9176879 282.8897031 514.6027845 280.9281026
Diamidafos 1557.599752 1896.430048 1622.193614 191.5437467 1456.425579 1541.530123 3189.216081 109.2608449 1728.07508 3975.001857 1850.149728 826.8746331 65776.84176 65035.73317 67073.09715 80146.12621 61874.00899 62525.42601 121578.1095 114386.047 124387.2053 125271.3691 130859.6211 130391.3354
1-Naphthaleneethanethioamide 7646.060651 7135.216465 6564.449101 6380.357366 6578.349994 5685.702716 1383.950027 2768.685906 2899.049834 2476.305559 2799.491386 1682.944247 6679.124411 6984.830784 9695.6971 8891.291535 7652.021373 12029.36368 9419.514498 6271.220908 9647.713919 8880.275474 8311.433051 9697.280532
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(trifluoromethyl)aniline 24278.78649 17454.95875 16226.2188 16925.90827 15457.57509 15818.10068 12553.80218 15740.7778 20477.54998 10694.31529 11837.23043 11171.18124 994.8674475 935.9860651 1082.886881 489.2020441 924.6136836 697.5623077 2004.012227 1211.055388 1714.064132 1402.967775 1203.117016 2067.909216
Piperenol C 46186.09015 42887.34979 47111.2404 44389.63352 42630.13161 46240.73009 28936.44029 29994.80573 34306.12336 29118.68999 27811.05646 25061.56077 498.7825684 403.3897239 611.5393205 618.492537 825.3871842 285.5671176 2501.321315 609.4234666 748.4065357 574.4937285 1820.106083 562.2820221
N-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide 79528.34138 67523.3554 70686.33721 70021.16502 70246.09702 64831.33086 72738.64569 71357.62483 84124.37983 67867.45154 64139.96188 71364.39084 33652.38614 29697.98642 28413.17533 31009.97467 28935.7952 27811.87525 19167.92155 23193.96965 18659.58152 18931.85481 19037.3395 18739.92345
Tipranavir 138.2070387 56.48180375 121.3403984 49.75819244 2209.510338 41.99629702 46.10752464 21.56348709 69.54505139 5386.935919 5060.533028 3029.293526 132531.8677 120453.4134 86362.63054 122147.6652 122248.5808 83489.3767 7699.708656 8055.983403 7658.778956 7457.889667 7616.894045 7768.772359
1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 102.6173111 69.14219558 109.8225896 88.66691369 56.00587374 66.03603225 74.8631691 35.91419542 32.44587448 65.01558022 42.10941028 106.3148214 253.3401821 153.4418033 107.7608849 116.0734214 63.87790288 78.48092906 1694.710411 569.5103201 1117.665116 1319.04597 1049.594641 724.001535
Dehydroabietic acid 6034.99646 6175.033234 6051.449676 5869.987126 6286.529072 5580.791848 8271.558528 8319.976916 11209.50465 8196.608635 7218.407145 7897.554492 9820.328178 9193.762606 9816.404453 10018.72162 9735.255713 8965.515054 10774.61983 11188.85892 12551.68607 12540.30994 11264.38192 12550.661
4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate 300.4888411 4504.41864 3901.728854 189.1493167 78.44168998 117.1196974 69.47679255 677.2107201 290.4232359 233.0832365 81.39458175 278.1732884 153349.3099 145877.8469 145689.651 142446.5855 143710.98 133376.6146 238307.6495 236436.7481 241972.8451 232353.5801 247575.6654 272593.534
Swertiamarin 27148.01679 27785.90056 27232.40808 27833.9465 23899.30361 23844.63773 38728.27856 42924.61963 41141.20309 39348.50467 40960.61246 40292.60758 129793.3298 123668.7471 128641.6249 125950.0673 125481.1608 129870.0448 66789.78864 60631.25406 64446.53999 66831.56549 63965.58563 70642.38684
Gymnodimine 4648.40777 5007.63983 4938.580931 5013.234444 4711.500725 4604.52566 4485.849915 4315.296187 4321.88855 4215.442071 5469.010544 4584.508435 6304.137122 6784.139076 7655.936725 7237.982804 6522.006553 6323.354551 8283.473845 8522.374282 9432.213825 8585.886341 9368.953019 10176.34875
LysoPC 16:0 16884.88452 16533.76503 17216.94039 15726.27098 14443.83789 14896.20348 18062.92156 18316.486 20999.87241 18950.52618 19575.85735 19086.31243 16901.36485 18051.40043 18713.51872 19611.69982 17572.96414 15586.44512 19490.49906 18838.43101 18823.71153 20199.21027 19203.65216 18863.82114
Chamaemeloside 42605.01807 35027.22623 35643.04326 63784.3736 47763.14856 42079.86363 34471.22727 33041.65524 32921.64982 34358.81793 30638.06389 40876.22549 290896.6554 174351.0306 166954.5536 163296.6839 156925.5171 150169.5337 59501.94427 63407.10689 57722.1623 55974.45801 51544.41358 55568.91695
Dimethyl azelate 111.4506808 277.5752937 369.4014036 137.2458251 242.968105 254.8851173 189.5285293 194.7928351 244.2998858 189.0974195 184.7290796 110.3509334 206.6622304 760.3138276 532.3809141 590.2174922 901.6050319 658.6377608 1372.958056 1738.901707 1462.343165 1624.742395 1528.392214 1607.581526
Sibirioside A 23848.60195 53043.74826 73342.22005 71001.16745 18106.43146 63634.045 31714.34172 20749.19236 25048.3089 36615.20071 21983.97997 22007.40987 56.45340357 8.650757399 2.761744891 5841.171993 4636.779595 7195.411704 34.85217826 7.908589525 6.010826529 11.20942123 3515.073782 14.86471335
Glutaconic acid 99266.3441 94220.69457 94974.61305 105361.633 94385.49072 98401.51839 58252.00656 66347.43897 54991.91362 64735.98582 66450.08336 62063.29937 88420.52779 82954.86632 116940.5674 81717.39656 87336.10127 84236.96749 50473.40345 48757.14874 66708.02705 53083.62193 59691.53827 50497.06989
1-Naphthyl glucuronide 218816.4619 218797.2295 224941.4659 227160.8181 213581.8599 214353.4377 210138.1805 208905.724 202162.343 204154.7636 221970.5553 210286.6515 145831.1586 144328.3691 143051.6831 146764.1359 140507.9083 137670.7729 35007.1256 37383.65338 39605.15731 36452.39371 37866.4234 42433.79279
Khelloside 53729.24585 43960.85843 43826.6812 40982.28461 41382.46905 42931.37094 26498.1333 28895.36162 27839.43182 24094.46319 21236.18422 19080.13214 19.26083982 3496.575624 4929.742287 3761.439718 2269.070791 37.07259205 10.08203998 1257.818544 1573.154866 1109.721439 10.92219248 1240.40511
Ilaprazole sodium 12408.21285 11866.49885 11928.75272 11245.97235 10935.77463 10576.43663 9099.255124 8295.412657 7760.703392 7503.753081 8677.361864 8058.637333 66426.41791 61958.02547 58943.68132 59958.03765 59117.6354 56215.12556 22722.62908 19337.47823 22338.81852 21837.79586 20860.80626 22779.49339
Podorhizol beta-D-glucoside 26379.43934 519.2027072 34445.02996 31589.74002 697.9431177 30339.85665 908.1771167 23436.95533 348.1976413 28284.34339 17106.669 22675.44919 32493.82398 19668.00431 30887.62924 21208.75352 12025.88984 15954.3849 60764.07161 63080.07116 65409.99075 65364.59899 63251.23144 63858.24571
6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one 218007.9392 219762.4037 219747.8212 214234.5423 203897.5519 215122.5929 284210.1596 276390.0852 277717.2063 264010.0723 257824.3339 246852.2739 4655.15396 5210.725226 4742.913277 5828.376072 3564.24264 4874.309314 1900.926435 3014.240436 3304.222867 3758.056527 478.6210588 882.0322419
Prednisolone sodium succinate 40.87709213 1102.654902 133.4906003 4732.458413 3774.101302 28.99734717 95.31136572 6453.095775 454.0590078 1575.895564 1239.693681 118.3233023 37872.31044 30016.27558 23136.1933 32697.82871 23039.83303 29350.79661 80367.25139 89101.02297 93497.06959 98015.74747 82761.03232 88369.30492
3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide 1590.316205 24333.1081 1197.574332 23453.09198 4848.192365 66.5273405 3070.463045 1996.821928 17310.01138 3230.571365 18788.68206 1533.631549 10438.00226 11414.61853 14595.83772 12878.14536 14157.09336 13315.86666 43898.94673 22016.11995 30287.71088 30889.78976 26333.99495 30421.42858
(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid 2006.891917 981.5457861 539.4999595 853.4441547 1088.411959 1361.563018 3590.897895 3675.901613 4943.523462 3828.735327 4449.911659 3871.405738 4777.441465 5410.756186 6137.034078 4605.633405 5646.085471 4074.606838 10123.04551 8720.822336 9125.066478 7106.876334 7317.947262 10407.90029
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-methyl-1H-pyrazol-5-YL]-6-ethylbenzene-1,3-diol 73524.84116 69868.35681 77055.34065 66669.61647 71624.84884 68899.5892 98864.31786 98768.55444 110085.5456 95387.1194 88595.87218 96924.34801 21086.51251 21970.88778 21222.69458 22601.69181 22425.19526 22165.56485 31539.79417 30938.21687 34171.59707 30552.47255 34098.81737 32837.51512
2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one 3484.618139 9039.577899 4181.889899 4460.933019 5930.291099 9568.150165 12800.10669 10112.27167 12387.8239 4776.752756 10318.7197 5106.366797 21.072845 4004.409357 1551.265835 1413.179325 9.95107791 1066.516572 1259.46105 1134.814137 1139.485537 40.3897101 1218.59759 73.53589866
Palmidin B 51159.36941 36530.86239 36380.98021 35252.58677 30006.89405 29112.3414 23997.0959 24362.30256 27807.8637 26471.00762 26020.20212 34283.52014 3917.558582 2896.145302 1419.183192 963.6267251 638.4743899 418.3636001 421.1699876 329.3570551 156.9594389 233.2170676 242.807897 107.3799445
Palmidin A 3251153.468 3443598.94 3423037.581 3441988.377 3321492.672 3473315.947 3970694.876 4030844.005 4273619.228 4598487.162 4279349.084 4002489.873 13836325.34 14311797.14 13628552.51 14301130.41 14285609.26 13424360.23 13162525.26 15189688.27 14028879.64 14222602.02 14155291.75 14012649.21
4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid 422.1760638 221.8170815 230.860412 343.7571649 124.351734 31.79909319 30.24775007 21.19942394 141.929686 14.86537781 135.4685278 48.86197197 1315.652061 4496.769975 3739.900971 3474.966223 4271.748524 4364.727926 5994.691797 5981.938361 6478.305855 5427.200633 5970.83273 6463.609922
Gomphrenin-V 10893.62994 9036.23944 10961.87415 8057.597056 12150.12088 9494.532952 32630.80215 6756.863177 35438.56628 32857.86464 30313.11123 28848.74625 1448.121185 435.027 1145.232491 1265.230278 1091.473792 536.1009269 870.5857152 255.3011654 1017.916404 1998.365471 917.7343277 448.4272845
Spectinomycin 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 1236.928343 715.6991029 980.8366965 970.8682547 1148.957582 784.9750868 4630.70349 2922.893877 3989.44752 4258.239131 3961.952931 3101.444965
DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid 167229.1693 126607.3408 138773.2826 131889.5317 119992.8498 147605.5291 41479.31608 31504.65474 16272.64479 33930.24354 24094.64904 39741.17136 969361.8781 929860.5148 1177343.013 992121.7196 1049253.989 924484.581 1197733.517 1111844.871 1167434.026 1116632.306 1079160.946 1270445.189
3-[(1-Carboxyvinyl)oxy]benzoic acid 279892.5391 258179.5021 234879.6129 226616.8397 228861.7362 218456.2479 191392.1972 175308.1358 273477.4341 183825.4391 173986.9205 157895.8576 192.8951055 443.1387421 17516.47449 449.5974428 170.4895197 145.1751173 282.8817297 193.640412 268.9196291 12527.12578 450.7590808 334.6257159
4'-Methoxy fentanyl 923.6606535 88.32524345 163.6176366 302.4326999 17.3100936 40.06030356 417.1568183 498.5296158 637.996625 322.8336397 124.5087112 194.1192962 20453.50631 13553.80287 11889.77048 14895.63548 13141.70855 20946.08344 28457.28728 31557.86654 32552.71595 29370.17323 29207.56452 29472.63254
4'''-Demalonylsalvianin 150.2084324 232.412211 575.1011925 82.70185032 176.6135247 185.6832664 1052.451118 357.776032 41.26295728 269.0280525 683.28589 79.71242792 6863.207731 6584.090017 4328.386515 6287.756886 4193.441411 5906.815843 7411.670583 6910.120712 7635.964282 7431.561445 7875.879518 7641.493039
Ser-phe 175538.3193 180396.8934 178165.8811 175654.7611 173772.0314 161840.5954 159019.9358 161686.8004 155931.9238 160208.8759 165154.7374 161931.4142 70659.73811 109136.3656 103664.3917 103933.4885 103114.235 99474.09061 16124.28794 34643.44041 38218.38066 37429.57424 34569.53942 36732.09741
Calycanthoside 205.0123479 16106.30265 116.7802626 13702.45408 42.84359307 139.0988162 18167.99761 15382.64795 81.59544936 22574.55122 487.6454143 33358.85876 434823.7218 139662.1492 426034.933 421694.2192 139902.2638 146028.3096 111818.8241 117738.5299 126906.219 127806.854 121790.0628 129457.0853
Tacrine hydrochloride 4409.934632 1645.296814 1801.026009 4422.463788 3138.116073 2544.735343 7813.240339 7207.418666 9215.539007 7655.681826 8313.020898 6697.809269 18410.44331 17555.21119 20186.26242 18407.08284 18825.65529 18411.49878 15641.40863 12321.49391 13582.22721 12303.85516 11599.03303 14362.97684
9(10)-EpOME 6273.978365 5291.507217 6284.197718 7340.215328 7977.604401 5137.865902 5697.705115 18.91583189 4715.087274 5568.789633 6434.996277 6664.489855 116714.4421 115909.5516 108950.88 117292.9445 117131.9405 113342.2205 126926.1887 116420.5818 135255.6564 125092.4183 122211.2707 127449.8816
Pinolenic acid 9387.498723 8867.45499 9356.093155 10114.58915 8348.486797 8246.902412 7002.032917 6090.075859 7416.294712 7063.290104 7696.360456 7157.775839 256906.9648 218946.5018 257170.7452 265642.9803 255799.1763 233763.9346 438571.1163 405579.8526 420172.4317 421105.2964 415275.4095 496636.4732
Taxin B 655.4430426 925.4136519 100.6942083 448.7777444 560.5642758 348.7517578 240.9490275 437.8502485 502.1626585 418.9847197 283.9517362 108.3889121 1212.821066 1623.54084 1260.374747 1233.309676 808.1760159 1841.579765 7627.422849 9869.372266 7748.054528 7662.317351 7894.308945 8156.300065
Miyabenol C 286.312473 225.5326095 254.6480323 125.145275 141.5509356 234.0211947 32.75865442 69.04487413 44.03831087 65.73407357 64.1903642 31.0807509 3.280957919 4.315037507 2.297958763 13.59240151 3.958235194 5.770433203 10.74391841 2.757538569 6.664041858 7.276848632 8.119481894 0.970251281
6-[(8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 3122.663368 2984.917319 4686.228265 2788.196522 2559.254937 3887.592253 9600.204935 7592.622968 7338.953974 10569.96534 17231.88205 10048.64032
dTDP-4-dehydro-6-deoxy-alpha-D-glucose 91112.6889 95166.00514 89757.95824 103064.1874 90871.01517 95444.68712 91792.20399 108290.6327 99284.37233 122324.3852 84540.10806 79648.41342 1530.398104 76.24918376 2111.296584 4186.103032 2628.636069 2554.744854 1020.813171 1346.986182 623.5182217 2121.054585 51.43223137 1989.476282
bisphenol A diglycidyl ether 1384.644013 405.9756486 401.4030565 689.5710532 446.0932923 777.6301625 272.6166185 412.6672367 380.5609935 13.8193083 175.3441712 229.384284 16337.34377 14819.30177 15009.02728 14231.84034 12735.87611 13179.81662 2656.810082 2670.62454 2986.21967 2356.091761 2712.108354 2943.283453
Xanthoaphin 268.8346852 58.47247727 444786.1848 345.2397568 200.3555355 383.9646208 103.8469915 475019.4863 528.8564484 478.0502905 28.68356499 981.3224208 3432617.983 2864977.159 3348455.363 3210468.32 2920317.397 2959302.333 9375708.349 5627629.903 6224669.408 5939115.48 5830614.906 6127148.601
7-Hydroxy-6-Methoxy-alpha-pyrufuran 40862.66893 38336.0275 36341.19724 35298.88134 37129.61719 35101.59202 40352.35359 43458.84115 37666.30331 40630.33668 44595.86614 5235.494652 204334.5744 186737.7356 190585.3345 195907.2083 192726.4744 192316.85 209663.5067 195673.3351 202869.848 204453.2879 196843.7381 199641.963
N-Boc-4-(4-Toluenesulfonyloxymethyl)piperidine 700.7036813 1225.388836 971.753673 1630.672527 750.2415262 1609.429741 2324.293292 1761.42314 1341.868723 818.0826535 3261.097063 1459.248528 1592.581601 2779.40534 2693.657229 3183.139327 2947.794897 2746.189926 4124.713429 1951.691383 3432.742919 2546.131299 1481.714175 2502.32611
beta-D-Glucopyranoside 3-[(1Z)-2-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl 306.0609019 2536.730166 305.7982375 968.6943677 266.0134492 2596.928809 84.08364146 238.4895508 338.3272477 713.1829353 768.0062596 922.1996086 74098.8343 66001.38369 65221.75449 66203.30852 58706.75099 61792.31425 20763.44595 19654.94535 18219.11356 18358.39774 21622.6331 20440.25396
Ethephon 105840.1469 104753.5863 107152.3882 110235.5301 102886.2478 104481.6997 5744.122774 102902.9913 98405.93239 997.5612994 99704.88198 95955.46822 3886.10173 3867.414642 3217.745952 785.4635924 7794.980489 3394.140525 790.3537392 544.7615205 866.9288188 645.7607746 2778.988741 893.4164581
6''-Acetylliquiritin 307220.1342 299393.0849 291009.6142 299566.7376 250473.2657 285321.9726 264191.6966 259388.3606 254135.4019 236366.3429 257196.9402 230100.0568 429553.329 454781.6063 397083.354 441418.383 458460.4747 437328.2855 233883.6832 222032.6998 229612.8248 229673.5746 216771.7088 231131.9025
Anhydrotetracycline 273044.7538 240974.9708 232984.4608 245942.5685 247892.5957 189500.0103 244059.3886 330128.1408 315610.8327 341365.839 275813.1875 207380.2956 18435.23804 8508.133428 9721.934861 7285.836006 8564.138434 4829.234085 5390.949149 5420.404487 8821.425079 10460.96947 8901.623062 7137.372922
beta-L-fucose 1-phosphate 119853.0709 101047.9567 94253.62537 25895.00419 99090.86426 115355.6977 24381.92892 42440.30623 38857.64982 44667.77883 32734.98062 40028.11825 1999.993099 960.2223392 694.0361191 1633.385168 1741.205521 1791.156504 1101.436607 1110.071099 1329.803035 486.6388076 393.4238353 587.4597758
Bis(dinitrophenyl)lysine 96450.34005 94691.81318 92429.87587 107275.0757 90082.62835 97333.97205 158191.1422 132976.6451 130197.5608 131231.2698 127845.9627 115334.0412 10571.67792 8878.597365 13821.83799 14491.33917 9865.688555 12346.02978 682.9683986 1266.507902 653.3002392 1555.071883 1451.582668 545.8861294
Segetalin D 698.1878159 601.1609978 685.8159375 817.0927417 891.7008825 906.5847036 468.4465297 721.8594634 680.6068689 1532.677516 966.3040753 1520.296134 8161.712381 8389.325324 7840.607664 8585.522325 8791.726585 8479.371562 6983.589349 6973.890596 6862.887373 6356.825454 6401.567893 6850.862403
calyxin B 62860.47448 74210.60583 72529.62133 67808.07901 62995.55691 69306.75342 47708.45331 48954.22127 42291.19613 42923.63069 44391.98125 49141.36998 3269.158013 1061.094083 652.5638537 3177.904591 958.8524469 2814.647547 168.8563925 1419.515239 266.4580765 405.0247826 832.8091535 542.4152417
Leelamine Hydrochloride 1399.361864 574.7115079 681.23027 2134.523645 1235.16893 1523.779334 2459.950433 2878.857003 2212.446163 1915.295293 2194.566504 2007.585336 7017.918367 6317.69454 5682.852161 6811.700222 5898.491492 6112.774663 4786.631273 4228.976346 4614.901327 3701.907892 4449.121961 4521.324042
Dutasteride 27.65069787 29.4873006 52.40899657 50.1021685 40.47077264 1.746539352 8.23690064 48.8251202 63.18790854 18.38763531 60.52778676 43.24765177 19.14911993 7.703551954 4.912158357 11.35465488 2.887125205 0.623764439 1.603959661 2.82251768 2.138606827 10.56743091 1.824515156 0.766336862
5-[3-(Trifluoromethyl)phenyl]pyridin-2-amine 17989.8418 18137.85107 19270.89354 18470.92113 19852.95964 18514.50251 7868.401145 7247.620022 8848.708557 7306.162851 5294.37688 3235.312031 3767.422842 3615.593268 1108.476876 2109.060049 2921.822293 2639.575398 1635.768416 1607.110835 2014.007252 1847.026542 2220.063984 1410.655119
6''-O-Acetylvicenin 1 183.9114863 5938.363261 5150.885905 4330.77685 3866.574365 4504.599787 2727.995188 3482.220515 1409.669442 2544.08936 1679.449251 2208.161173 2940.376004 3946.696703 3076.520505 3736.898269 3930.334164 3376.384126 9522.53025 8632.491881 10242.59352 8579.900542 8189.798193 10993.7398
6''-O-Malonylwistin 9530.283474 13138.994 6479.468318 7755.740803 7694.412015 6276.16713 363.5108773 3003.26544 2274.460076 1576.801546 4845.443901 269.2671236 27833.32211 24211.142 26350.15312 20530.26725 35107.84065 24983.3369 34160.46117 33798.58301 24615.15118 38390.73746 35810.74428 29904.82575
Cannabisin E 1861.724148 700.2898963 1592.920087 926.2616713 799.8140323 1347.308441 906.6825947 1053.282932 996.0608946 1558.722899 1307.934983 1221.006775 26278.16065 18040.36566 19627.11004 19215.56332 18160.24375 19588.63808 43168.1162 41040.29018 44710.60441 44379.91167 42134.89016 43752.93987
Polygalaxanthone III 24665.30223 19052.4791 13475.92534 17046.67584 18401.11184 19628.70046 9939.188879 4187.896785 10516.46398 5043.227866 5317.651353 7248.540237 834.9825176 328.2392667 743.7465515 142.8426705 460.1764502 192.745028 153.9422559 235.8695885 371.9685565 531.9706798 263.3576664 204.3874856
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide 4602.265116 4135.056008 707.1244876 718.3587097 1373.701338 3450.523199 8028.072787 7395.847638 9714.218396 8457.840634 8414.02551 9810.983479 13189.00517 12190.15481 13876.18626 16006.01885 12546.90716 11139.87661 20846.7883 18727.64559 20610.98825 20419.85699 19970.57355 18956.30071
Salirasib 170905.6449 171004.9437 163145.6661 167912.2694 158647.728 166342.0338 182109.4836 184687.1863 180197.845 183040.0647 192284.2828 182617.3489 1107.124107 807.5956199 138987.5605 6606.59664 135039.5661 586.0897871 365090.6498 356463.0271 368874.6539 387176.3108 370135.2998 373663.782
Rofecoxib 7423.539776 8625.229468 8937.415659 8394.699058 4414.5682 9274.510542 31833.35707 28284.69072 34054.31704 31003.30913 37323.95309 34754.10742 4309.659963 1414.415674 5023.837028 1783.26325 2481.895618 2224.447289 1169.039704 469.314917 433.7799557 1141.167009 456.1165071 815.6701318
Hydroxyvalerenic Acid 948.9174859 789.0256434 867.8864128 354.437918 857.3189991 790.378052 896.3033638 423.9939123 365.4460338 570.1423496 98.32024192 79.12114018 1545.076344 1613.197986 1544.586962 1667.516398 1711.417859 1597.554219 387.9536333 411.1677863 395.6410398 424.705503 415.7903471 418.9504089
Talampanel 603.0798386 327.6825347 396.2205277 371.4141265 337.8973766 354.9486026 354.2722532 413.8116822 342.3262704 474.4697158 125.8726413 208.9205802 6692.079464 7163.484511 6127.962989 8534.718727 6742.319496 6956.753106 2083.147357 2013.565147 1864.9767 716.4024111 1174.292658 2484.25982
[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone 40627.73005 41731.59795 45890.8697 74420.90161 39728.44986 46749.1776 36932.84877 41117.08657 36887.41776 34792.82782 33079.2377 33788.57738 3756.677538 5601.538376 5663.867391 48.74427926 13.2391874 35.70577699 560.0391737 262.0756289 253.9515372 140.5159776 99.29413809 1552.075252
Citbismine A 86555.95769 89169.56664 91073.79977 91745.10831 81687.05825 84945.09261 307715.6721 323318.4984 297441.4882 299857.0631 344157.5441 314536.4267 6576.179056 1303.803138 5123.593004 3195.857165 11866.19276 4141.307509 1636.358695 677.6017726 3192.473471 2189.215424 2604.465509 2851.832021
5-Allyl-4,6-dichloropyrimidine 1745.137919 575.2257983 1027.998609 226.0543789 1414.89282 617.3756558 1075.558444 1376.031097 1608.074373 1870.218338 1696.820111 1264.088024 398.7046133 109.834961 939.7828103 406.6369256 460.0692015 317.8136984 3027.303744 3270.097008 3468.315187 3296.31206 3533.229251 1637.200064
Dimethoxycurcumin 15651.33542 17506.43326 12122.2694 12389.08276 15110.76228 13407.58637 29598.73148 29973.48661 29677.76219 29030.85423 30136.84862 29746.15525 156.0471127 260.4382134 401.5474779 182.0907092 1544.506115 123.7619207 370.3161442 696.5014061 1205.939681 99.67662419 145.5010563 59.72859238
Hemine 1004.329035 750.92986 160.9994346 591.2593253 385.7475676 1406.53391 173.7784558 330.6642578 486.3209097 259.712434 406.3686151 378.6978357 4535.469629 5944.923851 4936.919593 4890.518274 4659.225061 4017.178288 1721.318845 2535.578195 2646.052942 1041.194512 1878.482706 1817.911391
3-Ketolactose 668.5684778 339.4338032 2097.443292 2558.077463 1741.795106 185.245985 3113.400067 276.5630248 7167.871057 266.4143446 12362.44005 2581.218692 36423.53836 42864.10566 42250.88429 46722.88586 43915.37803 44338.65009 68904.07909 82050.95089 67667.84998 64790.12114 66347.55875 66142.70716
4,5-dichloro-2-ethyl-1H-imidazole 755.4550651 216.5834431 325.1168976 92.5791834 295.9892094 479.7825214 7930.303785 104.7506934 9118.509657 41.90517373 7972.103589 587.8436321 5514.660918 5680.634329 5963.064301 10085.83545 7422.913002 7585.909085 1738.739426 2057.697264 2866.155636 1958.850182 3466.687981 2127.237137
1,3,4,5-Tetracaffeoylquinic acid 12278.68617 21318.12054 43418.04472 61903.69541 60671.26104 51366.36849 32417.74982 91922.47131 43970.76532 69736.29414 87074.50004 40810.64137 53351.73846 53213.05857 34404.31329 44944.51725 20671.22072 37405.21857 21727.6581 19540.47783 18023.77127 22048.48756 13781.49251 17345.36355
Ustiloxin D 229.5985553 402.1506953 1436.539492 357.7912574 166.5053404 479.9091861 243.9934649 568.8891527 845.4338918 277.0070552 607.8528531 129.6767708 26922.57421 22665.05529 28275.48033 24667.89818 24529.54394 23156.84112 18447.59999 30789.60295 14690.33949 16784.7319 15662.0146 18625.01408
Dioxinoacrimarine A 56771.61427 59307.34234 60542.42965 61816.42534 56661.7989 61658.48815 61691.29403 62651.27451 61022.82846 64916.73631 64619.60254 56225.53043 158295.6858 155247.3261 149817.547 155336.7427 158080.8066 139840.6215 153423.9017 159287.4174 152170.7776 151083.1558 150545.5416 153107.3084
Boc-l-alanine 1032.950033 739.9583696 758.9748903 1217.772505 739.5348278 1040.724107 478.3194003 456.93859 474.176391 362.8791063 308.95976 424.3165936 2499.374759 2386.435345 2734.46687 2213.449848 2738.9742 2073.673146 1385.300005 1246.668704 1203.906139 1502.409274 1260.866355 1093.506287
Shinflavanone 4651433.188 4654428.567 4481656.636 10663.62841 4317780.786 4491501.44 4956361.133 5026716.538 4904333.247 4981282.718 5233282.346 4970188.067 3702814.363 3796445.387 3782738.435 3943403.261 3675271.598 3777969.19 90793.9565 42376.41744 34170.15838 246057.4743 45691.43433 145393.2339
Erinacine D 371.5987023 445.1045416 576.4562716 531.548272 312.6403198 582.3904575 338.1334428 311.7798324 382.7690251 320.5332676 337.4795094 244.7039571 422.2413611 1495.20617 1412.634761 1832.136687 987.2863919 905.4281422 8054.480973 7626.208804 7730.873903 7969.898149 9857.219841 7956.994836
E3040 sulfate 488.0795252 26277.73082 113.7263074 29480.73266 26868.68486 20954.67068 43483.04634 37614.34184 34751.59984 223.8663544 49696.60228 34226.88874 574597.3386 555419.9064 474930.0293 528480.2728 471227.0226 566289.2657 482025.3369 283508.4132 315755.7357 330287.6126 307942.903 323268.7963
Cytidine, cyclic 2',3'-(hydrogen phosphate), monosodium salt 4856.36769 4831.235283 4164.57846 5220.146901 4353.18871 4505.245387 4028.748598 6325.337892 5706.149052 6444.825205 6260.42637 7494.975582 5140.750978 5094.457352 4561.723464 4446.379035 4106.560114 3950.373871 4480.25641 3899.753522 4172.732189 4459.584476 4030.700473 3888.64916
2-Ethyl-3-methylpyrazine, 9CI 45118.85369 45108.91532 46082.58874 45880.14314 47250.17271 47196.51697 36806.13997 38323.18835 39480.80689 36750.02644 35375.51459 36697.6071 62201.16121 65971.15389 68346.66229 62668.61567 60646.11409 61417.33309 75952.81509 78494.86997 79003.34716 77514.39335 80307.57602 74957.465
Chaetoglobosin N 28.62468425 907.4028004 1298.5137 1089.111516 887.7895755 1097.631489 891.8750303 802.5963842 580.4375803 907.8450821 850.105222 1329.860218 6457.614568 6685.640752 6673.972621 7205.125949 6661.405244 6217.090584 35424.11824 35474.85257 38110.67241 36307.77995 36101.81997 37015.51937
Mosapride citrate dihydrate 5321.601849 3987.542581 1761.325785 347.4655704 6498.10105 3206.673315 2463.689023 6.709157259 49.66908918 4631.996783 4744.146697 2614.043209 5709.233366 12179.71414 5199.682576 1874.799509 1594.17488 1206.054137 112871.648 112732.1394 116031.2843 110952.2911 106828.8774 115707.6375
Sulpiride 501.7757472 761.9789661 135.1692026 588.5224269 304.261576 540.2111412 133.9840219 217.364037 1256.406023 168.2832993 1630.165165 298.2331371 280.8560115 300.4387882 482.0424235 68.78099085 174.8179195 216.8521754 5201.732435 7366.639856 7104.904743 7100.239115 6930.93381 6562.642122
1-(4-Chlorobenzoyl)-4-((4-(2-oxazolin-2-yl) benzylidene))piperidine 42987.21057 47450.60521 45662.61307 41466.74936 44018.66459 39346.11747 45798.58577 38474.9742 42696.8124 35883.27227 36140.69034 41896.23981 156.9041919 308.2932516 559.9729648 144.4782909 34.47861608 425.0281765 254.0398683 438.0790302 108.0738325 275.1627738 111.8370632 239.864208
Myricetin 3-galactoside 5401.164676 33787.33579 30816.81553 28078.76701 20608.80854 26497.08005 3601.185304 7259.924334 3476.936385 7054.261236 2679092.643 3281.699633 13127485.69 13493630.74 13207174.11 13988572.31 13407537.62 13147008.86 29476746.38 29156892.23 30208693.51 29473204.49 28855356.28 30257190.57
4-[3-(4-Chlorophenyl)-1H-pyrazol-5-YL]piperidine 188.3788939 454.5489427 103.1643443 218.7013958 253.204037 83.49431814 35.12379866 205.5252445 209.738988 617.2068101 200.7066562 256.8963926 9930.400484 5695.99225 11411.19377 8928.057003 7786.448375 9635.481327 10483.59386 4879.065026 11501.71381 11223.96701 12484.69833 6776.298648
Zoxamide 307796.1884 193380.4787 365397.8454 19661.54406 160884.9359 319631.8664 6574.601159 72602.49918 29222.63689 94410.32188 65944.02378 66339.17378 89478.2312 152020.3809 133015.2691 93373.21832 96702.61997 91204.14626 5632.716265 1424.705418 17231.55874 6769.437124 10721.50141 7733.725641
Calcium carbimide 16399.58595 13926.49765 8794.176762 11103.53063 18809.39756 5096.36727 14155.01358 11824.22574 13257.16793 8982.616981 7721.451866 6696.264038 16782.53197 13688.24329 14451.88974 14419.87155 10979.70352 7926.669819 8785.786091 14159.61691 14495.84542 11513.73025 16188.56968 9024.673348
4-Hydroxyphenylpyruvic acid 91002.01363 92815.33997 89950.83191 94652.71114 86782.49668 86611.98993 60331.38071 63055.20992 61540.8868 58054.73033 65292.28121 57407.1637 1742.87711 1593.9528 1248.30879 1440.837729 551.8532581 1269.034766 16751.66615 9033.376595 13326.19455 12921.69812 14667.11006 18078.85672
Phenylpyruvic acid 590.2087227 1000.247378 595.8179039 1265.470078 1407.027751 1584.386172 455.5113128 84.05124178 2635.145228 1157.676841 452.1792649 470.5311217 65886.45756 65309.0172 65904.70711 71790.16546 67934.63733 63894.80532 216206.9807 202776.508 212120.092 180913.9765 215620.2887 216621.7447
17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid 327.1499663 114.2499842 1548.118184 969.7779193 980.5049073 58.9315096 130.3087459 255.1120297 434.1716411 1205.509318 2225.082266 220.6982549 21588.18365 19449.20264 20228.39169 23031.88438 19459.85462 20651.39543 47361.98497 45354.95348 49480.85281 49641.56806 50894.93215 50553.75142
Edultin 298612.0286 259543.5341 271930.4725 308473.8401 257052.981 284360.4042 187854.278 225800.5143 159333.8338 207415.8149 195895.3901 235222.2003 293690.3454 304616.3038 328588.6619 293492.0121 327306.7365 306771.6576 254208.9799 226337.7225 245000.2673 237166.5972 225883.8792 254078.5395
Bismahanine 787.4759575 677.3402365 556.8191221 352.2087462 842.558104 663.3880233 1414.317685 591.0622439 844.8049143 780.8266719 777.6711883 1032.184181 17542.7268 19134.06595 19045.4816 19318.15486 25238.83852 17900.28305 32713.10971 30697.91184 55865.60039 52861.96443 34669.63263 52721.35454
Bismurrayaquinone A 3320.207619 3757.453925 2491.58028 4024.493412 4582.603211 4290.597534 2537.976742 2799.155592 3359.548811 1060.290395 1783.331324 1862.541864 39241.1513 44508.14151 39997.655 42511.92908 44016.80795 43367.05404 18588.64179 19209.46853 19645.03874 21910.49744 20096.99524 22883.87506
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate 448.863909 149.9500982 225.5437507 252.7195471 30.79311996 321.8067985 996.3463197 523.5417404 936.8814859 1323.785238 5050.630526 7608.911173 30199.52583 24477.67409 32148.09635 27049.73771 26205.50484 26035.82054 95074.7642 92763.40908 100011.4377 101547.0375 102845.3885 101189.0481
(R)-Roemerine 1113.280851 489.2342091 142404.4939 145454.2551 139.8658793 142717.3122 384.0138426 274.0160577 120.0927139 765.0080158 1846.507206 324.9796782 879.6849796 2860.583036 3190.992949 3189.199492 2239.170558 2490.751964 19374.09295 15624.62823 20004.27444 17939.96738 17186.1082 19436.0535
(1-Heptan-2-yl-2-methylindol-3-yl)-naphthalen-1-ylmethanone 145.5178125 903.8199752 235.987198 178.0360593 339.326403 479.7368028 247.1687837 256.3861852 70.80675268 328.2551167 377.2461604 234.9432717 2545.879911 2263.492008 3065.895983 2583.595804 2631.229991 2358.63229 1307.32234 1111.53646 1327.007616 1286.247376 946.1794715 1361.528199
1,2,2'-Trisinapoylgentiobioside 40650.23465 37388.81506 49754.37365 50964.04716 50241.2811 26471.39597 58445.94562 46422.39076 34954.31574 47755.55283 59400.00734 38278.17741 1126.240233 490.4036821 1084.668471 316.4665203 2296.679079 577.3838758 211.2289115 261.2484918 785.0620025 861.989252 1041.718883 480.2622637
5-Phenylpenta-2,4-dienoic acid 123759.7723 121668.3538 196967.7719 126544.2583 122884.913 118500.9284 123828.8031 124299.3566 121731.4241 116810.2538 124546.0882 118688.9214 2223.686642 122.666684 488.8523098 523.9218118 67.50733469 116.2445839 407.9274012 216.4916816 326.258464 686.9110646 44.45612117 320.4960192
Woodorien 1741.044663 467.1256593 177.2240266 626.7801661 57.01830084 438.3010362 286.1950969 859.3252061 681.4956846 235.1348558 1028.927747 335.0174936 53698.95007 53416.12075 59482.73542 51822.01579 55264.21658 53533.41391 29028.72242 27547.13511 35608.79649 28752.01018 24997.17675 27803.27727
Rhapontin 43926.91414 37792.91612 39930.86114 37401.41457 40310.22285 39055.75671 16398.65973 16130.96213 16326.68822 15452.35145 15430.39602 15018.81934 308.0732278 1038.109697 504.7903002 211.1956027 187.9543409 1086.77621 4203.575851 3348.092374 2279.541205 3731.837325 3879.227185 3292.047057
Arg-Arg 1611.184868 1660.039874 2491.836138 1280.459153 1519.813089 1266.946473 1761.011391 1854.802666 1469.823112 2693.10401 1450.66567 1814.825521 595.1872211 1737.685598 1470.318216 1320.396386 1416.259447 1017.540177 6747.164954 5755.670909 8100.815109 3428.514074 5714.602328 3617.09959
Efavirenz 38420.74236 34830.26176 33273.71832 33317.14139 35705.72499 32915.74285 31004.40178 30171.71235 28386.11241 31002.24297 26861.72907 29743.18744 75.00907555 50.57606766 48.13256025 71.71037111 1258.337442 323.3767279 1277.967382 2023.77971 1676.489542 1745.490347 607.2822384 1805.7209
Fluorodifen 460093.7585 464089.2717 470615.3434 497575.0266 446647.8322 558673.509 273693.4971 287324.6446 314668.0174 352644.7007 312700.5648 295655.4345 16579.34038 97.14431463 242.0369698 25.05046454 88.48633385 415.5101462 208.1672366 334.2433331 68.21268269 302.0150896 235.9219995 160.4175592
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one 1342.607889 926.4796908 1941.193492 1154.991386 1563.871626 3615.290969 909.7363108 443.6452862 165.9349469 118.3976874 855.3133067 341.3935565 640.1520124 623.3148777 1450.101056 1213.57493 2047.121996 1525.303654 803.1861749 4681.540858 1470.037512 2804.056797 3696.470584 4286.346889
Protoporphyrin IX containing ZN 2834.218938 2416.773068 1753.486707 1085.055344 2868.020306 2308.818411 1141.734062 843.3891115 1392.884298 728.6696475 951.422697 938.1087954 11027.14071 10642.53922 16163.23206 9463.53785 8765.376552 9714.274993 8145.961225 7234.353783 7287.019189 7907.01006 4019.997845 6514.259187
Ipecoside 3879.682178 7242.581746 1647.91817 3614.011135 1523.795086 3514.362585 4476.517337 3346.751956 3063.932393 3429.120068 3428.186281 3693.650917 3939.246742 2793.125391 3635.938204 5792.878855 4785.272471 4653.882508 3286.507904 2574.450867 5298.374392 2675.254577 2548.281048 4629.614372
Tripelennamine hydrochloride 524.589144 269.8475621 589.5165078 1123.350487 1086.48855 956.067053 164.5676962 116.0990977 1093.099398 817.0792264 35.97391756 895.5209234 10965.44799 11380.93465 10037.28769 11827.87099 11045.98453 10964.42432 16799.61035 14776.98828 16582.64439 15486.88399 15752.955 17053.30359
JKC-302 210.8857505 85.2687802 79.84740838 80.33275478 127.0641201 153.731205 206.2485857 158.5991725 122.9051566 262.9837324 238.5551075 258.459161 902.6344193 942.4987415 997.6135308 895.5093709 356.1740462 817.9598912 520.1834561 613.0659693 457.7113434 1008.2657 680.2355334 1014.077091
Ertapenem 3181.935564 16060.97996 14953.0507 29256.45721 3565.952012 1741.862325 6517.177088 9603.026578 6960.000922 18865.39916 5729.744915 5718.686769 11504.63694 9575.460807 8206.079222 10757.79333 10949.7085 9216.429966 28922.08777 31043.22554 30487.60062 31278.95997 30771.91549 32887.21477
N-(3-phenylpropyl)quinazolin-4-amine 5381.437193 5825.891012 4887.790684 5901.39061 4521.641704 4956.266588 902.2983892 1791.694383 697.005453 534.9673855 261.6416881 911.4126373 2614.864927 1940.944327 2242.936135 2256.786022 2272.928886 2085.7012 733.9900629 698.8606888 607.3314112 815.190315 673.8803647 540.2854765
Ertapenem sodium 520.7573452 155.7560817 92.00477669 192.542623 185.3347666 188.6779522 175.4933612 112.4702984 213.1283884 154.4134681 1024.343775 117.3114911 117.2849345 1070.685585 979.5095791 791.7370701 513.3597876 628.75702 26755.85237 21067.6691 26182.29723 22336.77719 26914.43723 26716.54555
(+)-Epitaxifolin 100182.9484 108680.244 106658.859 110993.8755 111109.1252 110286.8075 125216.316 117054.009 125930.1509 136878.9116 132428.1284 125548.6306 301848.0337 334110.4004 326390.792 341064.7162 323571.8975 316926.0137 359949.669 357409.6284 334373.0739 326554.0999 334279.124 329485.009
Keto-Deoxy-Nonulonic acid 58166.90046 69771.78763 68334.00179 66514.54671 69977.90199 64747.63563 48900.56526 48095.32852 52920.1461 46550.90309 31748.48181 44984.37509 126351.9456 122263.7146 131720.9831 122035.7895 128055.9872 122506.4959 35372.93597 35472.30863 47966.26162 47368.82734 36973.01817 38112.46865
Oxonantenine 44338.56212 29707.0349 55150.95651 32063.74581 27822.71268 60918.2823 20690.01835 42426.04016 22054.45782 38924.17536 24386.85862 28957.80643 10613.30826 9995.023917 9245.224349 10398.38681 9424.530727 10804.64917 292.7770076 3468.724808 423.4465777 3577.418818 676.1882531 904.2684061
Sesaminol glucoside 42727.74309 43788.62943 45981.21992 45634.59022 41024.79321 44175.70443 49771.28386 53394.14721 51895.93125 49145.95207 51162.11263 41467.77584 538464.4566 521368.0342 566810.8912 552569.415 550141.0186 523456.0465 151274.5576 163522.1405 153485.0976 186700.5713 184851.806 171653.3239
Veranisatin B 11670.94758 41863.68149 38285.83347 48381.72579 44093.59891 21392.33467 68347.87848 111902.8898 104794.9704 112457.4825 105454.1978 82535.64757 7751495.415 7506998.457 7720031.15 7919723.462 7610897.233 7561022.4 14060993.71 13843608.18 14544271.97 14045323.32 13971406.54 14280806.61
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine 8053.179531 8154.542346 7881.914728 7609.295842 8030.601727 8997.804485 8055.634264 8330.770718 8142.25348 7755.820284 7765.782834 8886.433607 10523.47925 9472.921544 9802.142259 9789.600165 9449.523336 9591.218571 9662.757732 9816.690364 10323.29584 10225.58529 10830.83879 10154.15814
1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione 908.606387 140.422086 10467.9779 1209.331191 9484.616877 1244.641717 86.32148605 8174.828065 307.4163468 194623.4899 204469.3569 194190.0113 1563.564872 4281.022505 5547.398801 4231.163408 4637.375423 4316.041678 4898.591032 5452.524837 4772.56939 3626.385532 2232.713615 4526.693131
Kanzonol I 131.0242779 103.3393142 46.63172871 129.9208093 110.4700914 33.83821866 282.3829427 236.8276943 138.4081322 98.13498392 233.1293081 269.7273327 1959.697287 2686.722789 2325.098173 2445.250223 2196.266937 2409.363303 10505.94574 10748.89919 12370.29182 13942.18726 11106.7701 11070.56454
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine 9267.57837 11212.21256 11470.18854 3937.822037 10640.50754 10349.25117 8718.51683 4108.269572 7685.614765 8356.987338 9725.20078 8716.026522 1563615.255 535631.6569 538870.4741 1518741.081 546330.0566 555541.697 272840.7343 247930.6663 1069684.062 268941.791 274551.2106 287120.2598
alpha-D-glucose-6-phosphate 912111.7776 918904.0664 915419.1554 976379.9898 931180.5201 913528.6367 1100757.987 1101561.109 1015591.822 1069636.403 1183272.52 1130054.548 371544.2062 349722.1486 345348.1932 374409.3798 350616.7091 348589.9123 253227.552 239417.8651 270355.9475 256973.8349 243837.287 254502.9939
3'-(2'',3''-Digalloyl-4'',6''-hexahydroxydiphenoylglucosyl)-phloroacetophenone 31809.95868 42382.2967 47514.68318 40063.53419 25110.82342 32583.73999 38721.33641 27871.6023 31105.69076 28957.80839 36655.9554 36488.5351 1847.863018 115.2316262 814.6317269 832.5962847 277.9704915 172.847896 438.6896818 48.51856353 386.9363553 200.5434456 216.7166104 40.00668768
3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone 9673.410426 11416.76641 9287.613094 8604.488208 6678.591845 10553.86814 11058.71582 12257.99874 10726.01419 13598.34724 12912.66329 12612.48198 442.6780034 179.8259369 41.88507232 898.9328343 20.84933834 154.5089422 108.7145549 734.0293764 564.8751279 647.367543 767.8001213 626.2852506
2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone 1153804.139 1144366.022 1134983.206 1141540.098 1097299.994 1080396.404 783371.3687 786882.632 772235.8344 765477.074 830079.5361 771489.6659 624383.8459 589949.1959 600818.1013 648560.5049 574588.6402 587334.2723 239100.132 225782.2969 252635.1538 240508.7701 236876.287 255198.2591
3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone 35872.1641 37863.40145 26212.60856 34234.05226 26001.49714 28370.49063 19570.42822 25039.25646 23630.9898 17509.10993 22627.07491 23819.59641 22444.60239 14763.01096 30281.24368 32759.30608 21639.362 24421.32795 5069.516323 3639.527466 6899.118342 1796.263522 3459.994704 4858.459324
3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone 20587.27271 19540.89053 24181.91457 24608.55458 23203.3115 20052.68239 1165.944062 2666.610346 1766.998166 1957.681537 2415.403041 1661.722365 601.3937173 1072.932 481.9795465 545.9472042 997.0778857 602.35402 100.3322686 61.39234861 149.7783136 73.05963912 172.1472111 295.5961266
3'-(6''-Galloylglucosyl)-phloroacetophenone 249168.9156 228107.0694 225938.4703 226553.4427 244973.2807 232078.1323 308963.1305 315644.0695 292774.5155 294330.6884 288704.4128 292895.963 4849.428542 46323.8994 23243.33486 44718.46634 35614.26749 30200.07025 9269.127682 5152.631463 18944.58006 12708.51361 6091.971352 9763.046558
Schaftoside 4'-glucoside 13623.50838 19973.47337 20925.40641 22489.3756 12786.66262 17203.77765 23192.40812 24519.0982 25831.25778 23357.28851 24878.61083 25869.39735 843.8153527 675.4452195 518.6444778 461.9574836 1060.924688 1331.332232 312.1314345 810.4000724 136.9142212 613.0179043 531.4870094 647.2457728
Isoschaftoside 4'-glucoside 11244.21015 13007.90919 13216.91092 13169.51736 8893.905792 16398.5539 13742.22159 13792.18192 10556.58613 13713.19372 10480.18923 10770.84875 29621.22816 37394.59302 45917.32426 45952.61559 43453.34611 40498.58601 57817.50522 57831.70465 55450.24706 49136.46524 48251.3941 53305.77359
Amfonelic acid 45303.32713 46994.76807 46769.11117 47599.03869 47551.07021 46609.84388 15614.01764 15784.65315 15666.52657 14370.48383 17874.74845 14765.32955 54105.74565 50287.30056 52001.87933 54974.7268 50416.46824 49734.20488 8867.914164 3042.013628 5637.400625 5439.571506 8103.965257 5511.831634
Edoxudine 445.9136615 252.4092048 362.1348412 299.6184875 420.0933848 380.3833801 58.44910305 54.36629914 66.22103317 49.60920222 61.94407659 57.40805281 134.1696123 148.0708509 129.5830806 169.9559519 120.5254321 142.5825803 9.514084884 4.33634005 13.68328421 1.467019959 11.29390667 110.8242132
Oxamflatin 35008.53669 33572.74898 30599.50485 34660.10811 32195.28706 33036.25871 82300.40677 80301.31231 77683.19497 80876.73769 80474.82315 78227.41143 139857.5069 136228.7226 130107.1934 132506.3699 132057.047 130688.2087 60206.63039 66993.42541 53120.41496 63601.50989 62819.90086 65448.15478
Dichlorprop-P 39665.1567 45373.07545 46624.2685 51651.03094 43622.09444 47188.94189 43196.39978 47881.06193 49335.95711 49293.50844 46091.4221 53359.67571 41878.21032 30192.71459 31586.67552 31238.09331 33400.21853 33436.6048 32625.87027 37218.78055 37068.57419 39232.14673 37288.33749 39093.64267
Quercetin 3-(2-feruloylsophoroside) 7-glucoside 1016.20622 1238.180131 1886.707563 445.5925777 355.8520041 2458.480473 3017.603771 1218.331151 833.1127834 2349.214743 2224.68512 5449.65067 4900.651335 4330.692843 5794.415565 4120.827619 4032.600521 4337.455811 36244.78254 35304.79837 8855.687665 27798.64839 13053.63038 24129.38207
Ferulic acid 4-sulfate 434.0013673 100.0338568 210.0732209 326.6708142 386.1994465 404.0734734 181.5798345 284.5256754 177.1921401 214.9131207 116.7609153 222.5564006 3439.20606 2065.872506 3118.905303 3227.797151 3000.342514 2831.513076 1099.385896 429.8994694 1410.100649 1076.949415 780.6766503 1142.112583
Caffeic acid 3-sulfate 153.9513151 172.5544087 48.29320571 238.9909269 127.2150971 159.2119345 212.5986981 575.9418075 463.4112505 603.2484835 294.3388335 433.2616329 83767.35676 82333.95119 81949.45322 83724.93327 80289.16668 79807.25606 113433.1017 121808.432 114749.663 107538.6203 106679.0963 115618.5277
(E)-3-(4-sulfooxyphenyl)prop-2-enoic acid 2861.102409 1068.898587 2486.151023 2158.226533 2452.790248 2501.673424 2740.474023 2010.347382 1121.696501 2476.499913 2741.937918 2299.738998 2039.730548 2753.651771 2229.701421 1298.11117 1632.255757 1947.225345 5350.660775 2976.066089 4059.229138 5559.49936 4275.29413 4685.689714
Swertiapunimarin 447.8918744 830.3782327 974.9737802 608.6039585 646.0908303 792.396925 275.934413 355.1877321 1442.442947 71.47229551 245.7365332 1173.896932 896.6673545 2075.784625 1406.949011 1871.792597 1933.215344 1662.056519 6593.851258 6635.66731 6870.799289 6877.796799 6871.65318 7352.772352
Aurasperone A 1466.078408 1721.276897 1572.769969 1638.128971 1449.887737 1563.887982 47.25815989 143.899677 61.19567615 127.9794011 143.2828082 50.05596273 32.83150341 33.9466759 25.33962748 19.44079231 42.33838112 27.34383091 30.21910125 25.75440756 23.47976605 5.167514471 13.12943145 33.43419686
Nitenpyram 68.12631736 134.8819285 50.43784366 34.93267013 75.53095382 90.56657391 489.5875368 418.0553079 404.1918413 410.4869664 417.2695568 574.3928131 9.845851854 6.26356779 3.098720365 4.507574923 1.325498527 6.274395067 0.930461346 5.384294071 0.599632846 4.211893371 6.632649784 10.03268177
Phe-Met 421222.6195 291456.4818 306604.8282 302876.6425 302700.4167 307118.3659 346325.9266 343790.9229 348695.5001 337982.1327 348565.4684 349005.6844 175.2941061 867.9419659 7486.413505 575.1471503 7076.642069 1188.766851 1778.914118 261.576145 738.2621078 5344.324208 3236.501978 513.1063131
Oxybutynin chloride 13359.54302 12490.33756 12877.71898 13487.94572 10896.60955 12107.74842 9176.838034 9126.149208 8827.490255 8560.171618 9823.317113 8570.114766 1356.919041 799.1371067 805.9128788 1783.191984 1632.419116 856.9781947 506.5604987 1137.745254 1004.899509 534.3865898 74.03016715 618.4134045
9-Ribosyl-trans-zeatin 5'-monophosphate 41927.79484 40272.56954 38455.98726 32628.45568 40708.98603 35398.4717 42207.27456 38715.9985 38943.60279 36725.76977 56461.41353 38357.28222 2710.434033 5315.832694 12782.441 6374.992319 11238.50077 9391.477883 2876.685552 3793.015725 5756.630273 2133.124456 4863.338853 3811.061395
Lyciumin C 37.5494221 72.2649735 267.6252415 161.8957096 142.3623163 278.8126063 58.0915049 513.1572594 265.7638529 127.1528059 21.42758577 95.82089799 2538.340779 3076.453679 2819.006082 2652.273926 1970.451636 2443.596044 1488.156666 1383.122384 1161.195467 2031.272028 1150.570478 2144.388034
Mevalonate 1061.078992 2054.293958 2009.31309 1968.987297 1197.926595 1495.232705 3086.957361 2699.519409 2476.677714 2899.957341 2994.328874 2640.118544 17650.78691 17519.82482 16493.89151 17797.63492 16002.93835 17569.64532 11837.07059 12412.2043 13667.31645 13167.05946 12556.07741 13225.60433
Disodium succinate 249503.2002 231857.3517 231983.0487 254198.8952 213538.1264 244732.0817 350536.8065 350081.5865 243969.0146 335493.8778 355850.1734 359481.2687 59940.3446 94159.7047 109872.7738 110412.5127 120821.2959 87360.22964 82579.5419 76082.77481 84823.27616 92060.72079 79130.7472 90007.57157
Dibenzyl disulfide 454654.7381 437119.2995 418917.543 437330.8806 420858.11 431866.2645 402175.1013 455793.0979 369952.6302 375251.8034 352522.3002 355465.2909 283941.2833 275747.1284 268120.0666 264340.7881 269012.272 263176.5589 249827.3016 240027.4221 251003.8847 259970.0024 236844.116 231980.2545
Dimoxystrobin 783995.2596 770769.8759 781477.8123 829365.8086 805050.3523 813226.7786 355548.8133 373095.7468 361263.2794 352009.0338 416456.049 372538.2717 351825.0344 358015.3295 346789.0849 376093.8561 373354.887 343611.9877 55388.15686 56614.10239 63922.99663 62819.18984 63934.11799 68883.43498
Tetracenomycin F1 2934.690774 2328.293071 2953.929731 2754.957952 1983.659249 2565.522443 624.5246827 697.8978134 611.6218584 606.8014991 467.7468158 405.2314644 72.54530606 42.35856937 8.520432063 59.3505117 121.8218496 119.8215924 94.41420944 30.8681742 27.94701162 63.63513691 158.203906 43.52695733
4-O-Methylpinosylvic acid 28301.37099 29464.78155 2781.504275 29996.91703 13268.58816 30340.5732 20541.59481 24358.43542 25663.92926 15029.43798 21809.32813 25748.81415 1115.499243 1228.821776 175.8379131 1128.976639 370.7215451 929.2612188 2312.455174 3271.686962 3672.598306 1722.132511 3165.378225 2113.256973
Poncirin 19997.51852 17558.79174 18458.44301 19979.60903 17751.2068 15756.96231 22269.36174 22137.37103 21017.33581 22050.43693 21184.51427 18996.2365 47149.25152 44691.6345 40975.82748 40993.04766 39978.65133 45242.53915 49456.94926 47256.18437 51182.37528 53797.59369 51517.91312 53462.80836
Diadenosine diphosphate 787021.3891 724846.1761 715508.1316 750159.8095 675353.8457 701190.8394 1205935.008 1206027.685 1178984.401 1184737.558 1269921.03 1157653.797 667.6012664 408.0778874 1139.005224 402.8018748 6452.35224 55263.30099 19540.71268 725.9690001 509.2985634 22834.6067 355.629236 695.5682748
3,4'-Dihydroxyflavone 250960.9417 234053.6623 214405.743 266691.5604 222353.465 152899.2762 157169.1428 178699.4132 166542.1739 164081.628 178013.3746 166140.8792 239621.5976 483256.1839 241599.0071 233217.0433 543140.4549 933265.9842 117003.8168 124525.9757 108486.4689 165815.4512 138111.6897 108880.0686
2',3,4,4',6'-Pentahydroxychalcone 44824.74367 47982.81753 44190.17578 47901.9787 42177.90931 39123.59158 45481.44746 45577.02363 44906.82396 50373.81234 46763.0275 48539.19883 1298.302801 2129.353525 2101.997395 3905.523153 1264.680616 1779.650546 784.3183994 1829.765763 1319.293947 2856.892153 1211.452577 1279.372682
Osmanthuside H 18466.98271 25178.29076 19813.78084 20186.79651 21089.91047 23064.60803 30357.45866 23823.98348 29245.43354 26619.11451 26726.00704 22187.38539 9625.460172 11215.79069 11120.96873 13643.81453 10223.69901 10826.41775 4455.793361 5380.815911 3435.76476 7773.205134 7107.437587 6174.165755
Cycasin 34839.17273 38246.67548 34843.56228 37407.57918 32179.47119 33481.68324 21643.06873 25117.24364 22739.4555 20895.79441 23562.48982 21680.29662 5328.610051 5475.348415 1469.970837 6964.109982 5267.642719 5536.315302 1163.190857 1393.94618 923.2728617 1136.572313 1805.566403 1423.999438
Gallic acid 364287.5989 402726.9051 405382.642 420551.7725 401973.9699 404705.7334 398621.7795 375591.3875 345981.3577 368363.0552 420895.652 391368.5997 38036.49985 37680.30821 36222.5137 39478.35362 36897.21198 39293.0307 14117.9132 13439.22632 14571.24834 15169.97445 14374.40395 15557.13702
Erythritol 194619.1038 214927.8076 203205.8705 206349.0759 204623.1829 201433.6342 152591.6017 132643.9507 131951.6941 132959.2524 165456.0414 140185.9849 135573.025 133340.3379 133045.3501 140868.6205 125369.8846 136531.2373 129958.5786 142600.893 139457.9118 136823.4941 143124.3898 138854.1138
Butacaine 6114.821798 4822.318347 7441.203841 7448.252896 5946.013363 4936.723664 8122.381037 13213.83299 15538.90183 8582.442218 8171.216488 7323.691447 17309.41806 11050.28611 17871.83205 11031.06441 11609.50518 17173.3107 19750.37694 12005.78007 20599.28551 11670.8415 13607.38295 12476.72484
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine 6492.144769 4973.173368 4972.657405 6118.045183 5687.224153 5588.356606 4915.945362 4946.165977 6044.274183 5689.087502 4825.516488 5463.449107 19441.477 6015.781761 5535.665204 17961.90447 17081.8803 19798.10177 5872.01319 4043.838511 3371.174377 40177.47168 4938.394309 5671.712805
(2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',5,5',7-pentahydroxyflavan 16716.90778 12212.11183 13029.31443 15833.9935 3847.340262 14824.47464 14801.20022 12340.59363 16810.42883 11217.10797 14745.26749 18514.77905 9934.817575 8256.265361 9872.102606 7744.006472 9625.109422 7702.127484 2008.689165 3094.384629 1944.935895 2064.735975 3344.825627 1389.915399
2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide potassium salt 11188.84148 20123.80508 12489.62674 19172.99503 17688.78495 9882.627307 6080.145192 6267.450633 6853.881349 5716.416751 7325.786595 8482.996481 948.4465182 508.4668098 280.5781954 229.4312421 50.20973357 437.5018589 167.5576261 200.2767156 135.8456388 208.332034 22.52208114 1891.487204
Protoheme 22991.73019 23727.26865 21549.20442 25048.19742 23639.09955 24038.36515 39155.11168 35442.45885 28894.07818 31505.85708 34262.07714 32923.96175 9061.048244 14760.62305 10882.66071 11748.56 14407.70742 12221.08034 8384.248708 6619.336159 8659.331393 10678.236 6723.175103 5310.341185
3-O-Methylquercetin 37606.64579 39031.9247 41467.74883 42727.19005 38426.86725 40613.27284 18123.88393 23565.85681 23999.89197 22468.69928 27637.44039 24582.61714 229117.2477 226668.3305 221092.6885 228571.9881 216193.3663 210396.4165 120697.1081 104757.4648 123221.4247 119784.6423 123204.5703 127322.0227
Spirodiclofen 3051.467822 2952.261386 1572.60968 3318.845084 3534.175283 3392.373025 114.009984 88.88880591 107.2457619 74.26949245 245.2504359 127.5322065 4443.17523 5046.731185 4394.645344 4533.486671 4475.451537 3778.186073 1301.573442 1348.158083 2117.396114 1415.789202 1804.353897 1366.031626
(25S)-5beta-spirostan-3beta-yl beta-D-glucoside 1644.970004 1443.136663 704.1791286 5378.607139 5128.04743 1641.186191 6562.395602 4740.929115 9793.410911 7496.765075 8029.153705 7233.319546 2590.416448 4729.612444 5669.971124 4425.253302 3869.363166 5990.066425 2925.66721 5448.134614 4680.059602 6403.478152 5899.657563 6948.703429
3-(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)propanoic acid 283.179475 482.0825582 156.8845243 903.9177178 828.1164797 63.44407289 980.7076004 1522.900816 1025.953071 2125.889097 2460.548907 1177.941263 14751.18591 24277.91881 21382.80711 20915.36617 17143.57881 20531.48851 112256.4852 26161.02238 116322.8992 26460.56298 31404.38603 33829.20626
Melphalan 687.0230062 374.0615764 19043.82014 12275.16543 11950.26044 15129.33966 76.52200235 750.3522657 1321.115833 2299.485225 491.3807686 638.4504978 678769.1765 689521.8585 661608.6347 686071.8047 653409.5386 668880.1556 720033.3026 675654.5122 728966.871 728422.1633 699927.6131 750966.4377
Dinitolmide 13695.87455 13575.48754 15988.76919 13310.15346 14727.7876 13380.43848 13299.1958 12603.48937 13598.78993 12634.81822 11757.97314 13298.35146 12692.78502 12980.9611 12776.44898 13094.86553 12040.80042 11521.18383 6190.736821 9882.744576 6577.816095 6096.738919 7805.55791 6207.833754
Albamycin;Cathomycin 577.225292 1411.382244 620.1598784 477.0837536 382.6856969 1269.36148 935.230465 816.1206893 659.9713221 505.9727154 652.5882216 533.5649995 1116.678032 4312.409052 5171.211792 4755.898624 4177.335909 4641.393021 14169.43421 16708.71862 16318.46684 15878.06842 14576.19463 16232.22313
3-Hydroxycinnamic acid 863.2411478 1577.925452 2486.623585 161.3137905 1525.657673 884.4637706 832.0644635 1238.075618 1509.939726 101.1141279 1378.529869 1317.067237 263585.3599 244657.5171 252616.7432 261706.8143 248597.1287 249779.6891 511906.9586 520911.0903 536132.7946 659099.4794 528822.1796 531008.1709
Kynostatin 272 4069.641139 4503.78286 4738.147583 4673.191943 6055.535996 4795.061345 14433.18654 18156.07044 13878.9882 14275.42775 19028.96586 19033.74253 359.4515642 146.6813273 44.21805377 985.7577391 335.0830696 296.2141027 236.4252917 189.8286366 511.837629 587.5532729 65.61406165 303.585756
Delavirdine mesylate 831.210238 2479.13958 561.7310687 1201.40233 1610.492028 3399.855472 1155.600297 1991.198697 2303.440989 2546.879252 328.0433887 1350.42688 6393.917983 2819.313478 9827.719828 23142.77029 10083.31976 7742.630595 15473.57389 20778.02085 17380.02243 9579.464132 11532.63408 30653.73606
Cyclothialidine 3357.091446 1014.813357 5042.665682 5340.352656 5649.626763 785.7852592 644.9921569 1243.404826 1050.676832 565.8069689 1010.799852 846.0865526 548.0625169 694.2132854 614.897688 535.4214333 545.5913091 146.5569703 61.97675369 183.53135 243.9348902 38.78997115 197.5495621 93.40226663
Tenofovir 466.03183 155.6599572 215.1402094 6774.730949 1493.491863 220.2032438 7405.205404 91.11816979 8481.600236 72.76774997 466.5057633 7746.998894 232697.5156 231541.3618 230181.3069 234112.7819 218127.1308 225094.4719 292107.2133 275250.3513 297770.548 285300.922 292276.4543 304162.0972
Samarangenin A 35398.09371 51625.41735 49633.35829 47672.70076 48853.71104 45258.53234 31150.53929 30768.36891 29784.76926 25935.37851 27578.42756 22507.25704 5053.765456 7776.793645 140.1442647 301.9205192 224.2306203 4211.558306 2586.987769 2332.675108 247.0688315 2284.862388 2318.595687 2189.404198
Y-27632 dihydrochloride 4096322.869 4098960.774 3946807.754 4031333.323 3802489.139 3955477.661 4364860.171 4426819.236 4319041.383 4386807.569 4608733.113 4421202.221 3260913.904 3343370.835 3331299.695 3406.97327 3236658.142 3327099.62 1587459.44 1633290.176 1763976.851 1790701.417 1775997.825 1739919.649
Ziprasidone 391398.1328 386184.2607 387651.3978 372906.453 381724.7596 373692.086 138040.0528 145091.9341 157035.9207 148743.8088 133240.2316 126903.4964 121.6874501 705.9058547 20274.75364 222.4873964 176.6691182 32974.17215 108.199714 1111.224741 72.77016192 335.1470693 686.0648031 1328.769289
Urobilinogen 781.4026795 611.8085465 1054.967261 1248.219068 1688.179608 658.2927708 686.3411793 690.7258461 493.6525247 689.691893 945.1464827 563.8547997 1658.759546 2549.714993 1750.675952 3016.551274 2006.155992 2672.662397 5953.5212 6442.697821 7844.803189 6632.234246 5671.225811 6237.060998
Arachidonoyl Thio-PC 9916.715291 10170.60059 2288.956602 5053.912284 3891.178513 1509.714862 377.3712111 903.7544246 64.63924273 101.1542485 130.0926021 136.743159 8851.182671 13477.43235 7843.913419 5097.413168 7555.087883 3017.144865 2416.388198 676.5711863 992.9937927 927.9729158 399.4361279 250.0374176
4-hydroxy Nonenal Mercapturic Acid 98.92966528 94.51218733 149.5560059 153.8561692 175.4038106 96.06137021 258.2531961 99.39054263 98.62423201 77.82069504 86.64792063 250.9334544 870.2258498 886.347437 586.3086577 811.4836548 1160.368639 815.9586626 1028.541347 1243.59595 1447.16947 1150.370497 1680.029153 1544.83798
(R)-N-Boc-4-cyanophenylalanine 331.3406733 221.9187577 371.8985022 229.1771968 386.6754749 194.7136709 366.0442631 318.9977671 256.8438399 143.1612619 45.61438523 91.67493267 5475.544466 5458.702674 5580.982131 3821.343466 5302.196127 4528.820929 15603.34528 14640.10132 16765.26492 15323.3603 16953.67826 15569.42953
Saprisartan 4228.619424 4924.766965 4186.220697 4929.169021 5270.879401 4952.900743 4443.807728 3795.885381 3943.273609 3706.886345 3278.704275 1879.042144 16950.2024 17340.67556 14086.14709 16654.53953 20198.78669 14825.52873 16366.23221 15314.14892 18022.34936 15549.36173 16810.96406 17030.46918
Phenyl beta-D-glucopyranoside 28865.90648 26955.9728 37769.87034 26341.40568 27335.58017 26528.48127 28734.30438 26383.27344 29213.6884 26916.01933 28349.23509 26288.99868 2149.706374 1917.236971 1029.195444 1324.79559 1159.479628 1680.23882 3231.772432 3054.746977 3526.423922 3475.724752 3664.43299 3081.486462
5-Methyluridine 68406.77388 70111.77048 69815.00661 68620.15885 65968.76298 67432.62997 80066.20968 81016.93694 85502.20327 77723.09905 78887.61819 79700.88993 39714.76378 38182.80762 39499.22649 38213.96021 39633.02888 38175.15798 18451.65273 16813.25202 18393.6139 18690.67887 18007.54063 19122.65674
Mitoglitazone 276531.0168 271384.621 272663.95 256986.4199 259483.8743 266017.3894 205732.5575 201852.4309 205775.786 207410.1236 197510.6698 204605.6469 5754.167345 5521.929477 4901.600616 6377.205336 5414.614117 5450.549461 42727.87844 44222.87294 45122.36449 46528.74028 46997.46063 47198.79325
Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride 61009.99293 26881.96879 69809.04096 61756.52392 50720.66288 53150.0229 74415.24505 50912.55091 57943.43556 61346.2211 50636.93645 44853.94131 3179.154195 3780.743241 3827.433387 3709.461437 3488.297267 3311.771006 2799.277176 2405.540198 2635.732421 2577.272435 2656.758158 4712.121315
3-Methyl-2-oxovaleric acid 83864.38566 85998.83751 81873.58702 87060.77577 79663.68802 81329.04059 46797.24321 47191.59787 45748.85241 46660.09562 50635.30326 44464.25428 36797.60799 35766.14884 36373.12651 38052.95945 35708.46884 35572.34033 22180.12075 20490.79297 25183.57075 22303.77192 20629.88243 22219.28067
Nitrazepam 1634.828133 1775.060782 1852.612352 1324.649582 1563.912634 1832.606406 2354.289711 2848.529491 2134.1808 2538.378236 2666.935187 1678.3453 7593.878518 10210.42891 5575.134795 9834.054123 10984.71044 9671.163475 10831.95552 10363.81787 11149.17303 11039.3101 9932.50627 10599.41424
5-Carboxy-2'-deoxyuridine 26297.43611 24982.48495 15671.2022 25915.72636 23184.25294 25041.15314 1209.898808 2919.66013 284.523518 2733.409964 1621.014351 179.408475 7.151677822 5.674314473 12.9290764 14.0788333 11.4426773 8.974628495 3.92640943 2.692389229 194.8265017 216.801542 174.5626144 186.6990815
3-Mercaptohexyl hexanoate 882.7335058 472.1326329 1235.712571 486.7976221 1509.06226 331.6679725 1421.494722 930.6307292 1029.735212 1139.08601 1061.656279 882.2306288 4643.070264 4384.718965 4693.861011 6504.396388 3831.218945 4754.502621 30627.90161 19524.11958 29539.08612 21368.05128 27145.05171 29347.00617
3,4,5-Trihydroxy-6-[[11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid 888.5264522 838.2693858 839.4423762 1594.248553 1013.55551 1351.297427 378.852984 447.834314 513.7668247 672.4707386 740.4215153 625.9985144 14752.5166 15081.49829 14906.61152 13161.37661 12806.83187 12278.81975 6439.056597 6073.827705 7060.855748 6419.712876 6638.790934 6584.850609
Diclosulam 1936.39709 1866.187593 1926.17268 2173.285403 931.4789677 1254.135203 293.5240007 32.66083493 98.93672851 170.7288687 172.848507 24.60166078 14786.66653 12911.61269 9700.080074 11815.27972 9028.401858 9788.661128 10638.51228 11638.61495 10540.05852 10259.75666 10202.676 10520.73645
Sporidesmin 862804.0889 735818.1636 741877.4275 682249.4496 733054.4496 703045.0549 269162.8094 532801.3082 234139.5978 290843.0307 280880.545 309585.6157 404314.0353 372464.6564 411239.0193 291834.2812 355374.0691 288212.1038 157527.9211 140754.8466 145987.5795 162568.5088 136280.9434 154811.8604
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid 641.6714389 270.9672932 551.0838292 293.1975929 141.2343977 217.6717293 524.7353469 309.2257817 536.0250015 1159.965168 496.7676933 796.1463231 7811.294571 8656.343951 6006.177116 8155.778615 9219.58478 9421.781939 17539.27046 15819.35075 18828.96662 17637.7869 16457.29305 17995.19661
3,4-Dicaffeoylquinic acid 15628.53242 17658.69442 19981.10241 16074.31737 16331.1094 18607.64111 18072.71314 22056.87173 21054.79896 19828.70937 22052.87159 17125.22004 198386.0624 198542.8112 194373.0272 199032.1898 195669.6135 197296.5069 109384.0559 102965.1009 106346.406 111900.1483 104446.5315 112119.9279
Trifloxysulfuron 1673.647878 1680.673756 807.0199108 1351.587004 1278.312254 1203.341716 1509.795593 1592.807854 1029.291029 1426.986091 1438.334439 1823.216262 318.7947146 232.6996243 364.2630915 165.9888513 363.924982 123.5064204 316.3155439 208.5853879 146.1560334 236.1945107 70.09178483 185.8221915
Flucarbazone 246.9081221 289.5780196 80.83751656 335.0147502 233.5442269 303.0635086 564.8549307 558.9901991 925.9386275 574.1721307 512.2792094 450.8469391 4877.53519 9329.427113 7123.896313 6325.752239 8641.738046 7353.84865 717.9001192 541.8258062 1058.329728 905.3958588 631.4031453 475.4882596
Methionylvaline 94036.63112 92380.18643 5065.525953 10445.87151 3038.901016 89478.22742 81761.36975 82263.37704 86029.32428 80150.22515 82987.65366 75810.30967 16147.71791 89182.70146 131310.1991 130944.7874 133969.0763 140975.5194 36565.67589 32428.54414 36062.15432 29279.37839 39029.2489 23787.28227
L-Alanyl-L-methionine 440.4958316 424.6035834 197.6978698 614.5169162 518.867971 268.998847 549.5788346 156.6299552 155.4863513 101.1427366 246.166058 341.6219238 12228.28947 13778.05317 12608.30495 14626.56262 12104.30776 12860.44973 20541.00559 22202.64086 22205.06481 20289.36839 20415.97411 20924.75514
L-Methionylglycine 36617.41712 54769.11394 30198.3023 37581.62468 31959.43202 34994.97937 11990.1271 28258.89236 22040.99545 32497.7036 20489.30702 30119.67509 7677.260783 5310.23184 4045.089991 7760.499691 12172.70129 5658.935138 722.2259499 984.9840107 2013.85284 2867.958426 590.2278423 770.142222
Simarubaceae 27.95800908 167.6938041 131.083441 56.11064832 66.43652808 150.3807488 51.98302298 101.4077576 79.67164701 55.07830612 42.18453829 50.90425974 45.85533296 644.1993954 498.1500835 524.4258759 1231.416755 571.8545038 5123.948476 4965.857271 5209.884682 5835.999091 5472.512929 5485.377497
Flupyrsulfuron-methyl sodium 37018.0986 38046.17849 36145.81383 35118.66809 37392.08762 32179.69144 35030.77301 37935.70988 35376.37673 36967.19039 36778.16939 38048.84909 3028.423013 37.59595392 1406.192623 2057.74232 1937.475654 3136.718177 751.1563307 828.0681463 998.5949766 151.2065859 796.9819961 81.02889267
Hispidulin 1598946.003 1618408.575 1604079.23 1666818.45 1625178.483 1640011.193 1645343.023 1630903.238 1596567.963 1693971.231 1740353.417 1641757.886 343198.9498 355426.0955 337839.0449 329834.9976 335741.9338 335085.2395 107634.9296 107263.1722 68045.0061 97609.1454 102500.4433 110932.5274
Pixantrone dimaleate 24116.21972 34789.61692 28915.78902 33851.30159 32477.35365 20989.35319 19062.05526 27574.20768 19567.96922 25943.76407 22724.42346 23646.45503 13782.14964 11422.94522 14882.28752 12117.36625 15033.30075 13433.23053 8059.85301 6532.669023 6224.739107 7326.595586 5956.873603 7494.349164
Iodosulfuron-methyl-sodium 2534.754055 1712.519659 1860.167469 3037.265118 1574.424597 2120.395328 16738.96799 26769.69269 12625.11803 26422.36327 16709.74721 16997.54689 2376.239039 2845.298889 2076.777428 2601.955211 1942.78796 1993.565898 318.1247475 155.4525039 406.1630278 487.4559252 113.6898388 328.995894
Cannabisin C 2641.888461 2384.524715 2408.521324 2643.097782 2562.32828 2326.424162 74.2891548 82.03334005 136.7909021 55.30602923 48.24683871 71.07822061 99.41132507 69.61890647 2.878364537 21.79334479 144.6682251 14.39183186 20.69680111 10.8966325 11.65052612 30.30589494 22.47878016 5.89380503
Cannabisin-b 3183.188791 2621.183 2286.151787 5024.073616 427.1194326 2286.311141 1753.881511 2841.103351 2941.206561 2669.101642 1437.360662 625.7915812 49956.03148 48472.38604 45558.91754 48270.25241 46915.49178 48678.2269 68200.34623 66540.61387 61160.90664 65339.95134 64286.33292 64697.71419
Theogallinin 730447.6831 740618.881 748731.6455 809856.7434 506758.5647 730563.9919 54519.99814 164776.35 55048.05376 153544.0556 391058.1905 48762.55974 354.7543458 495.7419643 929.9575285 405.0357293 39.42854153 980.5306554 434.5691208 382.9161701 453.3494774 1059.260892 289.1419331 201.8531452
N-(2-fluoro-5-nitrophenyl)benzamide 11621.61897 10532.22781 14430.28262 13394.14846 5905.765221 9226.711533 5686.463094 8618.376514 5840.92412 7138.552395 7117.903704 5511.191578 412.633407 852.675234 400.6375382 77.75784725 497.6701305 196.0258536 150.1155787 197.1805956 32.48916993 289.9478421 99.29368002 165.7203033
Eprosartan mesylate 37578.08513 36741.21505 37804.66164 34710.40476 36886.36214 32246.70978 45274.09621 47806.51958 37543.21989 43655.65785 49022.62066 50688.89674 1609.659627 3182.444831 2151.26238 4180.40846 2933.399716 1967.355602 3241.495604 4749.566688 2341.255289 1596.055655 4653.493814 1757.440963
Degalloyltheaflavonin 215974.5632 191529.2981 203391.4024 181953.2708 187425.4124 180096.8563 133165.965 133218.3827 136577.0296 128850.1464 128206.9778 120447.6201 135164.1668 132195.1095 130927.9609 132593.6243 126010.5701 129049.0766 82420.69358 61046.13209 86206.60953 79824.69391 63078.45203 64941.62034
Kaempferol 3,4',7-triacetate 49699.78231 52030.65534 56003.72615 56521.07182 56499.43413 57746.83678 50812.48455 50714.00445 48322.61853 54194.72045 96740.92325 48662.62747 3451.994221 1266.98987 446.4194715 486.8563942 8627.82398 735.7191912 81.67270701 561.6313472 101.0301956 353.7378031 177.9305594 628.79266
6-Propoxybenzothiazol-2-amine 339.4807015 188.0140497 97.26675946 137.1471452 90.34527848 107.2641417 93.82390446 103.2722192 116.7155603 199.0982614 152.9298195 142.4568132 1071.906376 721.3684251 730.961249 868.4380293 954.0564702 960.1830548 1295.714474 594.6564739 863.0194116 783.2939353 716.664697 1171.985367
4-O-beta-D-glucosyl-4-coumaric acid 61787.12201 65416.80844 68903.50052 62720.96958 61868.64941 66932.42702 42036.07517 50288.08294 45556.25592 44883.92484 48403.68436 38033.85757 333545.9257 352938.963 351501.3475 349096.4215 315549.0098 352528.5455 1380054.863 1347284.96 1452409.671 1301959.937 1386415.568 1422769.253
Curculigine C 154.7532422 116.5508848 33904.72136 11.57173336 33.3003091 111.8234907 46.45246048 46.00413994 31.60212809 135.2557822 297.4255918 77.37357954 308.4982978 34.1396083 102.0429856 360.0849665 147.8216043 241.5498405 4488.194898 4101.375182 4637.954188 4499.412507 4147.534332 4783.51078
Curculigoside B 6298.01337 6280.2737 4647.217866 4219.085453 4673.976153 6003.181063 937.8764919 297.2554722 657.446695 291.6766182 1220.868354 1026.292741 1205.276347 3060.535473 1762.520411 2760.747283 2980.10522 1419.017471 629.1728766 283.8402717 140.5720707 844.1177713 294.1386147 392.585016
Ustiloxin A 611.9974355 500.2364459 792.184659 588.0711462 485.1795643 343.6398348 84.65538284 798.7859665 856.6193669 416.5832436 902.0637904 838.9870396 25545.75632 25189.34611 23674.02325 24839.89007 23746.32138 24786.25652 22959.41771 20240.66109 22407.7715 22325.43126 20492.82103 22301.32572
(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 485.6871714 202.1316642 732.4843691 303.949541 668.4732284 457.5177862 267.7528803 178.6784391 143.3863067 441.0501855 346.016821 249.2332734 3334.332874 3804.341348 3093.784595 3843.210709 3678.744939 4238.211504 13780.75412 15132.77203 13726.19097 14900.68778 15028.77578 14564.09409
(2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 18881.39282 18008.48838 17523.46859 18476.6174 18047.68971 17097.57927 22310.82343 21917.1128 24301.55759 21844.4295 20812.4517 18739.3621 1481.601738 448.7049421 1457.696676 696.7407836 2202.588653 1375.385425 2313.401572 1530.575972 1873.509012 3704.997614 2263.190031 879.1196487
FFA(12:0) 8333.177079 7668.976698 7631.591946 7986.366457 7433.050505 7756.014939 9270.028847 9128.138767 10057.18729 8834.838074 9346.677422 13594.7216 12743.19779 13076.3239 12833.45239 13037.79248 12811.20261 12719.34731 15774.67564 18331.55272 19561.95066 17980.60689 17388.74507 20501.09682
3-Hydroxyoctanoic acid 3096.540869 2559.485027 3204.98714 2198.000062 2892.867559 1895.023927 2238.939334 1859.007238 3393.827463 3004.160677 2027.311845 1399.488308 1124.294283 810.1824175 897.658559 958.7019169 903.6068878 1423.97371 3271.182404 3728.102442 3757.15334 4008.021657 3470.855598 3867.721556
3-Hydroxydecanoic acid 911.6153005 762.8891325 866.3112078 781.839332 491.7890564 395.4894301 576.2507265 572.3125822 1638.407171 1117.111266 735.0832273 1374.346669 33088.22531 33374.06991 32096.45184 31367.30558 28157.82196 32161.4851 31553.55753 29265.81557 34260.72555 31407.15034 31484.40339 31710.7199
D-myo-Inositol-4-phosphate (ammonium salt) 8935.49397 7521.732781 8369.784001 8972.320985 6184.640201 9118.739221 2983.744914 8222.34262 3087.496154 7311.248483 6569.81314 6861.243285 8938.872951 6461.645429 9079.435472 8223.382698 7817.531451 8363.495822 6412.33922 5911.176043 6095.596947 7024.413446 6299.36993 6574.463021
Alkaloid A6 2001.596288 1193.505482 1804.585529 963.580075 512.0503597 369.5674777 1029.022311 1270.120066 926.8615659 1156.70422 960.5364232 468.5003069 11541.04205 10006.09893 9637.710884 16778.16158 17677.93685 12976.05749 30621.96955 7099.960435 29824.20433 32369.88697 26514.82389 35819.8512
[(1S,12R,13S,14S,15S)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate 919.7133399 200.818028 177.2927177 785.7027589 267.47359 629.5830243 1055.301608 530.000757 611.2610579 337.0832044 520.794168 400.4984105 2811.360974 2883.619469 3392.1178 3106.779555 3081.299643 3361.939353 576.4274058 676.436436 248.9478297 213.0907191 583.7585408 1220.759834
[1-(4-Hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid 496.7412583 1924.202989 2178.881821 2136.279663 2267.088639 2005.103469 1949.286552 2221.523366 2790.584586 2390.669673 2726.16631 2167.200093 3192.467465 4098.619642 3572.444737 3597.262048 3523.788704 3596.703188 2973.792964 3009.894354 3474.559666 2765.979007 3043.169229 3056.204556
Adefovir dipivoxil 3315.005847 2406.106486 2833.939628 2824.326249 2706.873354 2623.16023 5094.071792 4636.881587 4349.744184 4840.589887 5273.886753 5071.191654 3751.321245 4135.314517 4521.543076 4591.160089 5351.762016 5321.759576 2443.118652 718.5329221 478.2027235 1183.505123 756.1695928 1431.213862
Dihydroroseoside 19708.56732 147.1799236 10943.83464 11887.91621 10193.15557 14316.5293 11202.96589 37.19780473 237.1990959 12130.7395 176.9957031 12034.65042 148900.2368 143723.9215 142534.336 144889.446 142886.484 141794.2 354608.9667 340157.1799 359257.7234 352689.7793 346259.516 354170.3328
acetoacetyl-CoA 1441.618373 2360.277566 3400.246685 1980.590571 1948.985843 2835.678366 4887.699405 5296.35906 5875.014079 4043.560059 4770.621445 6255.111689 199.5047629 357.9449844 58.97029114 23.9204545 153.6552678 75.74830869 261.3882816 16.94371299 92.36010388 50.99691568 21.09663626 88.87137992
Pimentol 4254.226025 4728.963989 3146.331474 2475.579224 4451.604244 5241.383613 6325.51078 7064.52636 8738.144179 4791.214319 7002.906773 6951.272248 783.7575664 731.0705572 753.4732893 956.606424 890.383368 241.0056977 655.1689584 718.8581155 315.1613039 712.9801392 386.9709212 54.94749203
Sulfosulfuron 21714.15073 21646.73648 18448.25057 24541.38114 19406.10758 18992.0857 16431.40024 15125.2147 13922.24813 16780.06715 19946.03038 16088.33516 2094.388949 1674.7567 2802.402611 2242.121877 2325.274268 821.7230981 211.5248073 340.1656236 385.5773733 100.2391595 110.6385626 167.6448771
JWH 073-d7 5378.344383 4425.724987 4440.060017 4539.332506 4211.857034 4198.175844 7409.932634 7459.915912 9171.4202 8572.952167 9085.115151 8370.313488 8046.798961 7161.602145 7421.812667 7731.153898 7946.166722 7630.159999 12695.06497 15481.10447 13871.84563 13021.1974 13342.18945 14259.18966
Levosimendan 176.3011971 472.8721585 479.1611037 258.4034425 708.3093786 322.7110669 115.4347715 248.6118355 230.5610394 478.1564747 271.904428 425.7099068 6033.213981 4984.538761 6329.249688 6842.75294 7311.97125 4860.413132 7740.201952 7546.01551 7369.441709 7124.616287 5908.406015 8300.329817
Theaflavate A 89438.65626 64352.72735 30948.75248 47634.14949 35242.94898 67665.10541 57706.28876 110474.7719 101001.9932 97607.84465 101281.8829 120955.5661 2691.991725 1814.955208 1709.563529 3336.265506 3381.219859 2584.139709 727.8655948 1604.470574 804.2059086 340.0270671 1352.874218 501.4900969
2-Chlorobenzyl Carbamimidothioate 2876.294513 2421.743726 2262.56628 2541.264069 2626.152393 2683.971223 2192.192901 2646.044211 2309.427304 2670.413679 2976.029035 3022.073439 131.995463 26.27559605 138.2264239 174.1811876 167.9463145 275.1839452 185.6760254 139.4468156 83.91382711 47.92329355 183.323976 279.3565211
(2R,3S)-beta-p-Chlorophenylglutamic acid 32298.89325 33309.0824 31686.14606 32862.53594 31637.64087 33448.56006 30830.64384 30023.26856 27872.60809 28728.31886 30021.98478 28677.96518 961.2746281 30.95759185 206.008843 214.0766752 1330.873616 963.0385959 122.2355351 183.3997346 186.8714957 569.2014648 16.79219936 45.1524534
Ribose-1-phosphate 6571.989089 2943.863537 5588.673855 818.1456105 5016.30924 4720.719379 6712.763903 1683.578057 6151.399648 2276.831936 6310.960437 3334.445668 35433.84826 14162.03802 28615.24072 15274.18112 25257.65894 16745.87231 40519.83753 44071.28356 45286.10309 38456.97785 40101.71991 43832.0388
1-(3-Acetamidophenyl)-5-mercaptotetrazole 60129.4262 54765.8174 42272.60525 44028.17381 40327.1343 55866.63134 35001.67877 45728.39934 33372.8248 38461.84731 36331.31087 20173.80224 27607.12459 27736.99464 27058.3471 27913.34557 28166.33963 26052.6311 8644.604926 8208.711696 5719.199501 7447.517088 8624.782378 7150.17539
3,3',4,4'-Tetrachloroazobenzene 34015.33665 31059.41285 19271.94052 18514.71436 18092.66678 16201.744 18399.85462 16067.84874 11460.65688 15176.39614 12017.35179 12352.99659 18995.72671 10081.50346 9494.872661 9309.815297 9965.322066 9287.369955 9425.469724 6821.477747 7973.999872 6703.496406 6718.199203 7007.479517
Quercetin 7-glucuronoside 3-sophoroside 206.7653131 1280.182696 113.124133 408.6603525 436.3125913 324.2868188 271.4964112 711.6639937 637.2621658 133.5484284 286.2642786 1013.236033 11730.05954 13542.52004 14306.47369 10685.42378 9930.68513 10185.50376 17453.66805 15158.45627 21332.59623 25621.60079 20894.98834 16113.24327
Karakin 81217.11839 81269.4197 78252.70684 79928.58137 75391.32546 78424.60367 86541.3632 87769.81539 85632.92169 86976.51067 7403.402969 86782.79068 16668.90261 15828.95268 15140.54791 19057.9821 17526.46392 16328.61651 24958.78674 29132.08131 29406.38805 25270.00453 29565.03905 29931.60488
Cinnamic acid 33984.68363 26978.87261 31280.0551 23759.98501 26656.92351 21428.3674 248819.6067 196752.8161 222845.5323 152492.9816 318407.0941 245293.6614 134696.5519 141107.972 128179.9065 132267.6875 143169.217 133632.0757 8535.633685 15067.4713 10452.2129 15741.92787 16306.78007 8061.286438
Artomunoxanthentrione 2915.15699 2372.319381 1562.739129 3205.782739 240.6260823 382.0955491 6220.563351 6242.916011 6133.583664 5381.62513 4762.924252 5948.208686 4983882.906 4897994.403 4849283.743 5253856.216 4958666.17 4867729.444 9367007.188 8852165.223 9692447.971 9215989.253 9239580.74 9785522.575
Tenuifoliside B 2611.083382 3289.024305 3160.833926 4168.67029 865.8543773 1507.049692 700.7426192 1933.72903 1668.614628 2061.624803 1307.244881 2344.631314 25537.22422 33501.12084 22640.319 25693.49781 24721.15064 25836.89462 14109.36832 10103.51804 14467.74992 39929.95259 10129.54835 13536.39552
Actinorhodin 187522.9095 188488.6471 180649.0406 186553.8432 180794.192 179391.0835 129784.3233 133781.8389 123992.4913 124392.7109 125061.9717 140065.5346 25599.61903 34642.74114 33175.82128 25118.78038 34576.76888 29774.27097 15524.11776 20491.16291 18505.83281 21828.37033 18873.30005 14643.21929
L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)- 109.2007247 118.1192637 116.5728729 93.59594396 68.54046191 130.2682366 274.8269881 31.70324927 286.1794323 279.0928748 173.2445329 254.6532369 882.6378739 1261.380019 518.1127931 1033.879283 1355.899365 1578.698282 3307.186044 2112.015225 2967.043999 3332.099718 3284.761082 3877.281145
Dehydrodiferulic dilactone 78430.82393 76338.60196 71748.11562 71255.06072 71422.92604 75609.70294 45412.64725 47435.68514 44770.09985 42169.38573 33037.95076 33791.47105 47.22742023 3128.878986 246.4460208 279.4980657 74.5582447 4216.179412 65.29003533 112.0764247 354.029333 342.9293651 362.7529067 179.2179246
Candesartan 102391.1654 111203.5619 118174.1312 110578.7539 108443.8147 117385.406 202878.2998 191900.2903 186328.2663 202635.2857 201703.2956 200124.3622 15496.18442 15166.64494 15788.31147 14544.51176 15429.06936 13284.31553 18811.4528 22530.27545 23903.05981 26775.97072 965.8981253 20872.84935
Pyrrolidine-1-carboximidamide 375.9076762 7.784623605 27.0693225 491.3425102 22.63192147 349.656956 720.6585284 45.46915186 986.6824066 795.7204152 1071.732931 831.8566314 2948.303078 2581.301987 2866.942992 3280.320101 3092.07201 3652.661747 3532.063892 3517.11245 7249.474736 3593.330576 6147.667865 7337.838045
3,4-Dihydroxybenzaldehyde 5344.726941 9079.410398 8696.348306 8256.615195 7769.006629 6517.971567 2133.626163 1681.876347 2325.047175 2646.401861 2115.844533 2676.104625 46737.73329 47981.27919 49832.54879 51795.42796 51124.84497 48200.91859 38422.38609 36886.68226 38761.89396 39137.99736 36756.79282 40915.86515
3,6,9-Trioxaundecanedioic acid 145.1442405 225.4921608 318.5398885 49.90498912 353.5269632 671.3909703 49.52410948 449.0748517 342.8257748 653.3448052 217.0950521 423.4962966 6079.763754 6188.46987 4955.185103 5258.299598 5054.739249 5961.002161 11989.91656 11562.9026 11547.29888 11759.30054 10993.28855 14343.65388
3,5-Dimethoxy-N-pyridin-4-yl-benzamide 1721.429749 2209.846433 3046.757591 2321.927695 2425.039105 3272.88102 2856.845313 2724.957921 6349.07229 4881.119184 4362.744502 3546.968783 50808.56493 44227.67849 48342.21289 45668.16408 50138.62638 44330.60423 267019.5885 256713.2854 269756.8574 282153.8098 271275.6005 282038.3617
Imidacloprid 56258.94294 62390.71924 60990.36972 61751.70851 57266.76937 64785.63295 18593.43619 49234.26028 45928.07664 45006.02613 42674.01336 43877.15786 4081.513305 3340.434414 1954.171181 3252.509591 625.4126837 3030.793037 176.869635 1481.149928 1769.008979 2304.589274 4269.175603 2369.147928
Laetisaric acid 21186.20538 21777.43194 402.5050279 4604.576157 20990.2616 23129.34927 11071.38722 11529.35781 12920.06881 12806.07181 11963.58174 10339.10332 5344.09572 8832.729791 5607.474013 7375.380054 7465.470164 5536.748039 3893.96921 3625.909747 4903.391876 4353.886763 5363.916456 4869.33098
Levofloxacin Hemihydrate 486.5385082 262.0836132 311.2271133 72.49255296 444.0716873 150.1247092 220.1317113 133.0574543 144.4168572 163.4749485 335.8486722 210.3180907 1170.938323 1503.15828 1805.502301 1617.347058 1348.405601 1658.845803 18021.42521 16888.32391 18858.67015 17953.71254 17373.33155 18040.7229
Arillatose B 15686.47987 17429.55933 13867.4707 16023.44023 16062.98163 15037.29402 7355.959922 10082.66048 7534.993232 9697.899357 9985.100972 9211.546048 1472.939434 2591.415683 2324.047881 2192.178519 3142.241011 3103.981903 651.3062154 968.0108552 1496.623412 258.7629151 832.0129977 838.3710801
6''-O-Malonylglycitin 3657894.01 3771729.376 3714290.727 3820693.038 3572041.512 3583373.039 3563576.941 3693746.43 3580298.032 3490864.538 3810888.661 3508798.486 20150.39133 35109.15456 29243.94851 25516.05942 36889.85889 28334.11671 21949.62051 7059.469265 22213.05395 24128.17247 14618.13804 11457.09651
Diacerein 5107.315456 7007.796622 7284.46172 8755.254322 7445.653151 6969.045156 3774.329897 4423.486363 3724.778947 3720.551104 2874.029454 4556.099802 210.1769046 240.0066804 177.1307317 102.4730184 97.16622801 41.76753139 138.951617 94.38566841 298.376868 84.60842821 160.5981907 135.9459941
7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione 4093.584619 4019.106097 2602.979009 525.9982804 2446.754693 2440.333402 3031.601311 1734.482503 4408.944177 2942.817784 2642.032712 2256.205802 1927.62236 2989.954028 1751.402804 1462.248047 1188.649795 2873.042507 1732.822381 1830.329438 1630.364819 1388.39564 1468.80071 1529.899053
Pemetrexed 7772.822529 8829.381982 6744.061734 3589.517591 8784.515107 8031.933848 2744.185502 6765.477605 4892.096253 3273.204098 3513.232673 6478.271529 166.8587007 33.65208794 56.88927356 230.2518503 25.64030643 137.6162361 80.62600619 150.4364843 22.93601615 8.749752369 256.5014967 363.4703773
7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,7-diamine 12783.87644 9239.931739 12932.63261 11137.13301 12367.58968 9850.449544 7788.849015 7541.943978 8705.546702 7128.900518 7658.333774 8655.938882 9374.167019 9257.006467 10732.48743 9842.664208 9361.637184 8782.428962 8531.109019 8188.763464 10949.80778 11324.06625 7301.083656 10715.38357
Tolfenamic acid 33863.58616 32866.44405 31331.30223 31730.34604 32547.64264 34189.67651 29388.16768 29930.86064 28845.77473 30429.36299 24773.86061 27107.30056 11248.07933 5919.389957 4204.461562 1584.257326 4485.327346 4532.305925 11434.10782 12034.45155 10039.65465 10013.1619 9208.753358 11457.90566
Benzenesulfonamide, 4-chloro-N-methyl-3-nitro- 28476.90695 27807.90483 28330.99474 24240.93063 30463.20429 24660.23058 69626.65562 36588.85805 20177.65613 31108.07053 24581.35504 22828.76622 29292.6699 26089.2024 28871.10527 27113.2099 25277.97536 25967.57106 20883.28291 24377.74526 25804.8907 26074.7908 27566.82153 27104.02515
Calcium pantothenate 30288.65278 29165.38831 32966.2004 30628.37923 29358.24595 27257.74193 41027.50083 41760.85249 43546.98822 38893.18271 41570.07892 40470.6632 105152.6871 101601.7869 101467.5828 106189.1929 103359.4185 101548.4294 55940.78538 51635.78961 57733.01089 53485.40729 52546.02901 56930.41492
Thiosulfuric acid 1492.900969 1354.129434 1358.661836 2063.950673 1534.450569 882.0343258 2172.655781 1830.419989 1982.36928 1521.351003 1689.139123 1452.36919 1695.575673 2115.877341 2100.202422 2332.600984 2613.631833 2195.227591 2132.330373 1438.028114 2488.503759 1429.706027 1766.793383 2137.483504
IRINOTECAN HYDROCHLORIDE Trihydrate 523.3223055 661.8849429 776.2487647 962.286329 734.0910641 384.9655513 275.2983302 580.0261478 376.5202773 143.5607335 681.1221766 218.9497583 12978.65642 13586.37161 11764.05883 13031.93788 14644.529 14208.58008 20900.63432 17279.2383 20270.10284 19330.68717 16797.39174 21213.40965
Azo rubin S 865.4932566 782.6766096 734.0519506 1001.316134 1291.756746 781.025955 1873.722677 2338.970553 2942.304616 1350.150525 1165.401962 1986.45171 480.8182796 342.3267425 368.5580471 29.45595769 429.6172398 261.033173 144.9538682 106.6440888 99.99249834 96.94791208 103.0956108 7.237116409
2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)- 1932.983194 2867.219187 3546.62892 2997.199292 2979.992074 3107.157175 1231.942735 1543.94296 1530.391743 1870.375488 718.1043177 1228.806883 2876.073523 6300.437398 4377.513618 5109.710893 3453.385567 1930.328747 3174.471657 3095.681854 3209.303028 2613.280567 2879.313577 2902.769878
Met-Tyr 134621.1355 148235.0638 149982.7838 155729.689 142086.5536 153790.6762 105343.5652 106651.4411 95972.78985 96180.26686 106981.931 89687.80538 1870.537542 22023.70244 22736.99505 24022.52458 7305.159483 6065.566715 21940.2473 22165.2701 24113.42853 28724.02656 22734.69414 21527.37663
Valylserine 20930.20886 51228.27596 42153.64105 49762.09241 20714.89776 10017.80983 25839.75929 73779.99855 23783.66869 24901.96074 26969.34103 71293.67017 66911.04852 68423.27168 67937.70249 69907.9642 66139.13161 63637.77189 86600.48098 80132.15938 90230.39993 84340.02351 83831.67276 88163.88918
TAXININE M 3688.565132 2825.542112 3372.360422 3212.004972 2774.661364 3456.65372 22145.89466 12867.04483 15944.54389 11707.81559 23282.07564 13873.62613 280.0248094 612.6477209 473.3743724 1125.147814 320.9163697 973.5580114 473.4145645 363.6126067 299.8785179 377.8835784 411.6798619 396.2121835
3''-O-Acetylafzelin 8274.92802 9514.884262 9454.623674 7802.180405 9351.894297 7951.003461 694.4667192 16175.08375 17955.15643 17693.76308 19528.88723 29741.53415 129132.1832 128473.3273 142542.3504 136530.345 126298.5772 128592.6359 349266.9744 352528.3425 351042.5019 363480.0335 342783.9245 357258.0999
Mefenpyr 4399.742777 4093.267929 3674.876151 3960.254067 3965.555602 4551.407051 4430.329126 4435.237322 4423.788493 5149.749576 4124.08637 4448.177384 4091.245453 4796.248458 4612.888446 4461.126534 4805.474505 5037.277597 5037.80659 5316.911505 5857.294719 5322.457869 5571.359093 4062.393689
Rifamycin S 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 4775.434611 4900.85938 5074.520197 5554.954243 5196.059624 3730.411583 6404.322655 6586.500442 6374.197481 6966.972529 6685.796985 6574.611826
Neoliquiritin 2''-apioside 18960.39281 34358.34576 16080.99862 39004.80185 20664.17058 31792.73486 57730.49851 53244.30724 59281.44305 51630.39988 66275.55632 54658.20689 279299.2715 294995.8063 220587.7452 361766.9268 367529.7397 289950.8342 144238.905 189187.9981 207536.6676 208332.041 209523.664 216485.3642
Gadoxetate Disodium 832.0007236 1118.651294 298.1797338 1129.0933 201.1984775 952.0370619 1114.457328 2043.587799 539.2123773 486.2480248 3943.603548 11388.48444 23805.07966 23003.81175 29963.94356 27759.75236 33552.81175 30570.49306 41595.88243 50213.94964 44309.19556 46397.16565 53441.5232 50109.28373
Heterophylliin E 1951.937909 2073.088177 1359.342414 1314.499656 1734.966447 1205.501612 4069.17115 3525.029442 2835.855507 3753.657282 3847.164979 3134.105307 21518.36966 25204.57857 21769.70444 18459.45385 20121.72941 20549.34098 33724.74059 28323.77574 31544.86003 33615.17605 35636.73207 30452.97324
De-O-methylsimmondsin 102784.7084 97695.8734 48574.36326 71212.6303 26473.28258 52642.47672 25842.01052 28236.2245 23803.29876 32318.41357 10026.18117 24547.89796 149067.301 145603.8633 152244.5892 132930.5065 170687.2182 154881.1354 202323.4565 191239.2198 52858.72707 195922.889 188821.2932 184154.2989
4,5-DIDEMETHYLSIMMONDSIN 8296.790575 8802.846341 8363.382331 8516.82173 7632.688213 7903.350139 9796.417689 10081.30177 10321.90604 7476.123497 9639.130887 9018.712699 2898.909757 2738.712352 2548.000876 2957.356472 3188.544778 2690.06389 4620.269207 3896.585863 4182.838099 4725.679405 4012.924388 3896.886747
2-Naphthol 64509.53902 60088.03519 59213.73188 61896.80135 56163.9379 86755.77531 17894.64242 39685.03765 38655.82698 39245.41008 39901.08469 38163.78069 87233.01855 90859.49503 78506.29648 83684.67428 83143.49754 81148.85231 17888.32221 15964.71296 16824.31979 16160.32056 17112.80442 17527.48499
5,8,11-Eicosatriynoic Acid 8201.607914 3291.627605 15442.15261 8631.747648 2721.63548 7896.510677 10445.08687 17782.62865 16234.56923 13129.85977 11641.72186 6351.303684 1639.219067 6784.457586 221.4684927 399.629216 366.4935141 735.9162571 816.9835099 211.9134911 661.9399174 287.4308966 393.6197926 623.2551651
Eriocitrin 2827.412714 1167.137652 1197.102552 2192.510895 391.2260242 2404.359669 2068.634691 3181.155571 123.2909301 666.7390525 855.4590852 2405.201134 200083.3009 168391.3537 172271.899 193215.5885 192633.6647 167714.7307 98885.03712 87990.85907 95865.99761 111336.3073 81759.72638 109655.2038
Atorvastatin 47503.11798 45076.7635 44355.45524 43293.52853 39269.52426 43464.59957 14307.59609 11773.32651 15200.50196 11667.39793 11855.83521 10566.83179 4093.343747 3253.154301 1408.266892 3316.73157 1749.535323 2003.942226 710.0835514 1173.379542 463.5639851 592.5714261 521.5918749 550.1410756
Piperenol A triacetate 177129.005 172996.432 2163.757763 40513.41162 166164.0329 168583.6756 335791.7383 353147.552 332856.0835 331414.6675 344582.7773 329805.3452 304876.5667 300747.4274 298708.5108 296685.0764 300303.3613 298967.3394 114954.8728 112480.3746 116759.389 114754.3164 115734.0725 122721.0713
Asp-Val 1025.205503 1032.860658 1498.694222 1590.056252 1496.764665 1006.664647 2137.896908 2166.220357 2104.711555 2045.992426 2055.995659 1970.008156 100.0995261 98.33492963 26.31326609 42.70045417 104.515575 50.65913545 84.47417908 92.54679876 106.7884741 60.67408115 39.86514416 107.7156017
Aspartylalanine 42246.79936 49516.95725 46934.02752 49886.95337 70681.0621 48453.84399 50442.24085 46781.72611 45431.34265 48430.2224 54345.71807 49636.28698 79111.61713 85952.41686 78557.0025 77223.53055 56984.53976 73364.56577 117560.8083 110080.9866 116536.7107 114522.1388 117108.8225 122141.3591
beta-Glucogallin 1592952.015 1721094.741 1635987.898 2580087.125 1611241.406 1587864.719 829009.7282 764413.8272 701040.3649 750255.5794 974720.4613 980170.6907 132318.8985 126676.5196 109096.2603 118679.9489 108165.7501 117377.2765 12597.21894 33377.95952 11282.42339 11988.44051 9779.122879 11785.19181
Phenmetrazine 291.3407493 309.6501734 383.4255724 478.30241 174.3992982 521.3483865 225.8240466 299.0044881 215.806874 326.5793928 238.8393313 276.3063999 14263.24754 11115.19089 10733.5585 13397.15427 14060.95804 12703.26581 7546.557899 8587.51735 9560.246916 8827.483239 8040.205811 8590.964385
Epoxiconazole 23668.08834 23760.12883 29686.97034 23703.12511 25847.10434 27205.85613 12933.4851 10467.59495 12636.00091 10996.44055 11531.7057 11866.364 9597.366096 7681.032545 7625.928951 8480.822131 7148.714076 7723.960542 994.9456908 648.8375136 318.191873 353.384341 642.3047604 1901.192062
Galactonic acid 253.8918611 145.7627031 466.8607332 363.4266141 158.0915902 1146.46895 539.1174125 66.98980128 526.425358 152.3269458 645.3513534 259.6662129 1952.049376 1080.451542 1857.503342 935.3468635 1657.381277 927.0573886 555.7797463 987.2811109 891.162646 791.2749022 671.5491165 445.4709819
Glyceryl lactopalmitate 51433.14886 73574.32742 71643.60684 29962.08173 60734.14102 70629.56228 32430.71098 64755.97715 64766.32312 43795.92838 60806.11895 62373.83343 30.5171376 749.8567743 2169.568897 1898.318045 311.4164953 322.0403197 118.9783127 199.6485065 484.7970975 277.4864143 156.8352588 252.5706192
Sandoricin 404.1266001 467.6889383 326.08198 167.9192706 175.080132 432.2096006 269.023791 256.5841883 240.844187 157.3414987 312.4796683 31.33684487 3761.671198 4369.307972 3769.430769 3324.050217 3380.434693 3917.719228 4962.136206 4698.119769 4918.153901 5649.401856 4908.25709 5637.76917
Tyrphostin B48 502524.9623 366319.2145 352797.364 459937.3222 379759.2508 486537.7379 17351385.91 14430934.1 12280736.81 17452243.23 15058942.79 18822677.57 4841052.622 5186381.882 5159020.976 5110173.533 6100000.041 4939194.403 50313.50151 50002.06181 42693.06161 66204.38729 43350.54374 55021.04434
1-(Phenylthio)anthraquinone 13211.16086 17000.68475 13388.82521 15316.59067 12839.42236 12566.00503 16671.55507 17655.34324 21267.67627 20932.76292 16114.37013 16479.78904 6086.989555 10568.87356 7760.558336 7950.12692 13524.78908 11862.65992 10547.19752 8522.683555 7529.907624 8349.5271 7211.648336 10208.81796
Eriodictyol 7-glucuronide 10986.3476 16972.23848 233.2283956 2588.90203 2562.633685 18290.59907 6001.746293 166.3911598 3200.840468 2478.327329 4161.431638 3246.046755 15983.57299 59928.95615 65469.58429 62666.34816 66465.10737 50477.09561 134782.3369 9674.904307 144641.5789 152045.4969 147357.7592 141094.8701
1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one 82096.63568 280305.6471 98354.07879 279852.3378 78544.77442 83982.07877 39905.01108 39196.69122 38008.54489 37841.54519 37731.97101 40521.11512 49539.23207 48446.80279 48679.44952 50168.30309 54529.47389 49180.42925 17456.43447 16377.64545 18037.57882 16029.36833 16292.21171 17214.72501
3-amino-6-methyl-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one 1175.303932 1381.776107 1912.810278 1706.09057 1278.939588 1849.252405 66.76329636 37.87257121 120.7430224 48.9037683 114.2031165 68.67544423 63.60764606 11.78359961 57.69828629 3.110874909 9.426869807 84.64066112 54.9608491 87.20004752 30.40692833 28.381375 76.57363967 32.36866929
Midodrine 41155.74618 39110.89686 39914.8883 43056.38599 40012.78086 28949.09085 21534.32841 30250.66299 27782.59391 29822.48949 40377.75579 26658.11054 1354.423777 586.6447316 271.6978268 198.7559518 972.9547938 982.6225902 4913.480655 4946.850614 5763.686465 5378.380964 5690.778574 5309.166907
H-Trp-ser-OH 2926.166755 3080.601525 4034.745464 2542.789471 3621.332804 2922.065793 128.7465056 64.18821006 294.2705421 1338.370007 332.8249575 150.4437312 5185.960702 6907.177068 6644.365438 5771.663993 7349.389549 6223.317721 6899.847339 4505.102558 6901.97363 5450.060414 6358.743554 7024.801196
Darifenacin hydrobromide 2999.812779 8254.693102 4953.949824 5116.517581 4687.276726 3484.875211 9005.530339 9326.39754 8974.474963 8193.901575 9393.719488 11984.73202 396.5189762 144.2837212 208.9418245 88.88660092 20.11872361 69.60465879 430.0570165 403.7016109 30.12230154 22.81346177 7.351027911 17.49047371
Majidine 3401.085484 5038.626587 3176.580182 4301.178516 1361.787783 5599.461342 3713.081709 4044.254862 2436.734964 2094.973461 3791.15458 3373.512955 9122.283851 14259.4824 16311.98983 14330.3692 15852.83774 12023.39274 20892.99543 19732.5965 19970.82022 20211.07995 19587.93486 21232.80932
Eprosartan 86227.39148 58681.72559 59441.22849 63221.60981 62981.18662 65791.87031 22100.37632 24738.35836 25457.82973 24592.31291 23564.62028 27822.59701 67.23899981 74.06055271 65.90323857 4.440178138 54.09986713 2239.670657 18.8125855 51.06317122 2476.203942 1441.658665 84.12980399 54.24973313
Uridine-5'-diphosphate-glucose 234814.2762 215815.1104 199207.4606 217519.2938 219879.9127 203597.6283 304698.0536 318920.0376 283780.2761 300369.1163 295552.9269 283966.2474 390145.8334 370400.9517 392441.7688 347041.6198 393170.854 383063.7346 767014.736 753651.2843 811537.7986 788817.6299 732235.5693 854683.1274
Hellebrin 822.6460406 626.0446416 503.7249149 1182.357387 703.5728614 388.0181271 197.3190058 1618.537326 270.9522692 839.6092254 608.0896207 645.4725405 2715.201274 1025.798971 1301.165373 2151.031443 1713.522224 2095.149166 4546.542285 4467.521237 4430.46499 4503.831176 3927.544478 4295.355579
Myricetin 3-arabinoside 1541612.056 1606983.652 1633796.343 1749798.051 1560916.297 1626208.771 1041886.059 1084592.739 1019093.124 1031084.041 1173238.581 1062307.991 649338.2332 646693.2441 653736.2716 657890.8319 628098.8025 649092.1634 288502.6209 275869.6469 300189.1059 299231.9987 290667.1526 312492.184
1-(4-Chlorophenyl)-3-naphthalen-1-ylurea 20980.06865 34029.55147 35629.46809 30972.83024 37178.78635 38605.36287 46143.40506 49889.56421 48328.05207 43522.5694 48120.42601 46945.79097 624.6890036 13735.64037 1565.019997 20255.12998 1288.636978 19533.0355 4014.797039 1621.043473 5829.276976 62213.63053 3810.38123 1506.132761
gamma-Glutamyl phosphate 5017.366645 4329.294628 4862.959984 4129.263118 5194.567625 6265.163075 4398.673823 5899.56794 5726.435116 5840.571707 4892.588125 5062.718948 7201.45579 7678.807446 7931.398423 6770.36104 7601.798987 7487.79801 604.1040682 2010.784177 1869.097955 222.7791042 232.6763247 1067.646535
(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 9382.189028 11763.25635 1740.078198 4532.09267 3645.780836 7573.51086 18768.60483 18399.41161 17432.86612 16388.15764 15897.68595 17676.6109 1232.449256 1392.445764 1582.864592 1932.74108 1376.226615 1382.954776 611.6337603 676.7631946 12.64234566 911.1528403 757.058072 655.1544488
Pinocembrin 7-rhamnosylglucoside 2462.797022 2284.585999 2651.848717 38.70938191 1466.107617 2565.426868 141.2249483 2561.546965 1792.993811 515.0825987 2321.403437 3630.523968 56952.25076 60619.87336 52250.25228 57599.14082 53564.19737 57161.02637 72769.4848 67009.57888 74307.7353 75685.38529 72281.6841 80563.57213
5-Iodo-2-aminoindane 1715.828436 2505.563349 3515.849461 6473.912592 4704.752663 6931.650761 11487.33515 13100.16684 9374.63984 14744.5367 11760.34324 14760.54376 5228.82207 3864.135626 6745.331955 5074.732423 5087.624055 4864.486601 8449.091694 9190.846261 8326.644051 9955.757973 9829.837317 8545.469861
(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid 11734.25819 13152.16296 11274.79994 10804.14876 11382.72225 10795.97489 11382.29621 11316.15478 11715.36298 10683.94275 11893.34003 11938.92047 13121.90432 11298.33705 10608.50824 11137.04281 11345.46287 16132.97984 14580.74805 12047.21814 12322.94967 12286.06552 11699.14057 14870.05656
1-Isopropyl citrate 362.042653 55.11862252 81.27751521 276.4285147 184.8589858 212.5044007 289.6974644 210.0119332 161.05268 452.6651923 325.2122317 113.2970947 294.5954622 3486.026659 3457.903607 4234.037573 4933.081983 3094.364781 3948.484097 433.9434236 895.9162386 612.8341919 709.8156435 430.4880271
1-(3-Chlorophenyl)-3-(3-fluorophenyl)urea 181.2456336 430.7993533 112.0654035 283.9482161 82.2784667 329.5006301 4748.642354 6612.226636 2273.315814 1726.145763 2220.787054 4868.237437 335.9053836 275.8695104 319.7635127 83.44246041 286.7609855 51.91167962 194.1188819 411.3407531 403.7253229 76.06802611 577.497901 313.9877707
Inosine triphosphate 1269.208237 267.1523076 662.1015335 587.6402961 257.3209585 629.1154951 68.04957684 758.0320908 149.423704 226.2693589 100.7793745 146.3731418 10575.75387 9685.323433 7664.06968 8821.468329 7261.555046 7116.717923 19220.22628 19648.61507 18374.43818 19034.03669 18523.16569 20068.8832
5-Fluoro-N-isopropyl-2-nitroaniline 8312.411244 9627.407496 9895.620813 7265.804414 10880.93122 11146.73276 6177.982847 4581.47113 4827.715393 5585.296423 4447.980841 7056.153013 30829.46274 29042.38514 28573.34487 30737.37482 27377.15675 26520.74005 14403.25762 12774.90185 13756.74995 14849.16977 13325.49187 14301.90876
Trimetazidine dihydrochloride 30829.02762 34280.04565 65882.29368 71883.27124 42312.34916 33470.73178 23171.55262 57721.75019 57125.79533 53116.35695 57791.64661 56601.36876 83.93636802 142.9576329 4976.560913 4919.881174 4240.797871 4749.084728 1166.645682 28.3717659 1270.071213 1952.967661 1610.357203 1741.034449
6'-Feruloylnodakenin 5262.300002 5621.031186 5659.817021 7117.056254 4874.009707 6977.02881 9495.649165 7121.115368 7082.460848 6746.609515 5825.742072 7555.81726 15199.90296 10416.64387 7917.04676 14289.79874 14475.93253 10446.17678 6324.741548 5630.117791 7730.121317 6444.639944 9144.829453 7404.301508
WIN 55212-2 mesylate 511.6672423 510.4162484 425.5971992 526.3008351 530.7585124 824.5129167 221.1515784 453.3743727 1183.415818 632.1368594 1980.481632 520.4177468 8523.975893 7960.38589 8256.36646 8695.964867 8758.915452 9109.345088 12075.68642 10522.3236 13278.90102 10696.55522 11587.68702 10945.3079
2-Amino-4,5-dihydronaphtho[1,2-b]thiophene-3-carbonitrile 654.6538498 999.1346805 1066.072228 1152.564393 1413.636463 837.2888784 1822.259221 1366.393861 1724.545153 1439.800727 1867.446349 759.1865084 7862.834623 7664.920798 7999.84948 7597.223617 8353.950002 8932.408856 1782.708386 2471.814453 2175.65183 2018.051664 2480.862848 2839.198666
D-Arabinose-5-phosphate 7105.179119 6748.467747 5685.211754 6519.745152 6755.295704 6901.546989 9100.287914 8433.026168 7685.535667 9352.057123 8879.375901 8697.635947 6070.212169 9592.296353 11342.84368 10726.1548 1994.737572 10933.42471 19257.9604 21501.56806 19394.28926 23256.23545 20896.5297 26871.59464
Cornuside 10942.60594 6367.011246 3544.228774 7339.792611 3912.58723 7257.001665 18396.61183 17917.33347 16609.56513 21136.30824 18663.21493 16524.11213 35043.79446 35622.23746 44137.58941 35456.98281 24508.88376 27323.46165 38963.58756 39906.43529 42724.19448 41093.42746 39252.92735 38587.10156
Glycyl-l-glutamine 6743.366415 8946.112754 4044.22172 4344.869896 11074.27503 15103.22571 4787.835533 6140.298163 3197.57371 6411.625226 7317.218245 5743.68516 41374.55044 42262.64074 41304.26171 44881.96469 39739.84643 40770.35253 89175.24084 84515.19945 91935.25592 91492.01229 85261.90015 87858.81353
Gadoversetamide 92726.20919 92785.92201 89341.71771 91255.07657 508.0482544 89537.97364 98804.94048 100207.4738 97767.76581 99301.75169 104325.3582 99080.58008 113048.8724 112404.3863 81778.32999 107540.0137 93538.32017 79708.16379 16468.48722 12263.23773 12404.96771 19380.14446 9090.950342 24720.27663
Rubidium hydroxide 1794.086574 1199.854902 4065.3939 2832.100948 3205.36037 1530.511842 764.346641 377.9752446 618.7372897 444.1004784 538.725779 534.8903513 951.5832517 1116.392447 981.9883834 1553.885672 865.6498468 608.9074089 845.1009702 668.1115035 1020.184092 572.0609602 1007.04077 317.4695424
Inosinic acid 189097.011 195397.7625 197307.5942 196110.6514 185422.225 196213.3151 176627.2412 178523.0065 175458.631 176595.4849 202413.1151 172139.9672 37323.81563 36598.57465 39232.97862 46731.194 34163.35474 28053.21392 18104.2372 7824.26758 16156.11577 16341.56204 13785.75387 13579.9865
Dioxybenzone 44596.34357 44951.05512 38145.50696 50499.58353 39506.39229 44299.3235 142168.7839 136969.0736 157474.2621 155455.9635 164262.1228 172178.0391 496989.9368 515191.8741 401384.9197 466081.1254 483032.7755 484987.3534 502648.2165 509299.4437 510941.048 508666.6648 531937.003 548658.2108
Deserpidine 11849.17297 10000.20898 9921.45805 8976.778365 9613.719498 8831.03516 8915.382761 8111.894392 8272.542659 6901.665157 5430.521281 6389.085673 7876.730874 8947.538007 10561.42439 9708.212862 10324.45054 8382.862184 10012.76444 11743.64721 11020.12661 10566.8094 12280.48301 11657.22429
N-Acetyl-L-glutamate 5-semialdehyde 7049.793248 11914.87947 7252.179502 12964.98564 10529.53315 23858.90784 4526.030995 3200.059564 6572.840601 4403.960992 3146.362734 5635.25761 9372.720412 7892.269283 6448.310175 7602.095754 8308.343166 6553.743967 10321.14229 8220.397836 9274.340421 10367.74365 8638.187051 9662.409786
FR 122047 hydrochloride 21262.28227 21305.2001 21522.32855 22379.6623 21270.22672 24256.96554 21933.39282 22299.3732 20711.66028 22529.0603 21737.36576 19391.47008 45172.28122 41973.69883 39772.77822 41882.21619 41336.73598 42044.18765 35548.78743 36673.09433 35481.96622 36616.61268 37619.15254 34612.63467
Dorzolamide hydrochloride 37617.63464 34051.413 35040.49329 33832.49972 35835.2146 34922.80743 22726.28879 23838.76168 24266.72592 21391.21664 20483.76348 20242.29089 3345.615352 5233.025801 1805.985743 4611.245298 2095.971791 5355.561717 937.7519461 601.6448536 630.2075232 998.6930598 1161.829968 3018.96202
Ampelopsin A 1642.906515 1823.23276 4067.267405 2441.296614 1795.608309 3159.717979 36469.4632 37945.60966 38609.34485 32143.29779 44827.92638 38644.68998 809.6135239 3139.687915 371.1568652 2382.700192 1702.611388 976.4835797 12169.07338 7547.574026 12683.83272 11253.8607 13796.10776 14265.18978
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] 22056.63579 23393.4915 24061.03325 23984.97334 22200.43666 23541.40595 14350.1711 14920.0126 14065.69174 13603.54247 14903.60165 13195.2038 12371.14819 12023.97312 14096.91746 13912.47254 13666.17009 13741.76704 13264.65753 11562.07579 11024.82548 11536.68202 12468.4491 14527.87761
(4-Methoxy-benzenesulfonylamino)-acetic acid 11322.5717 9209.074722 7616.414033 8305.811528 7384.734094 13281.68865 6133.618289 9031.656711 7521.069896 6760.551246 8488.833961 9320.811758 3887.143934 4024.920939 3626.738822 4343.165376 3606.055949 4386.949649 1083.668853 1095.326242 2183.299871 2474.421984 1226.141574 3972.720589
Protosappanin E1 1593.464886 709.4315344 317.6477618 111.8892015 1588.369732 503.1853414 1609.001513 679.1427976 519.9705729 485.4157904 475.6052197 423.5853975 14561.79202 14730.58772 6751.217428 11416.65414 10245.365 14450.24499 1021.438278 2011.796105 2419.235963 2346.375781 929.6393912 637.495312
Cirsimarin 243200.064 246279.4992 250713.6266 259260.8195 232795.097 71798.14209 550712.7712 507705.6574 510301.9437 545778.3169 624420.7266 615527.7605 1543861.604 1887400.681 1523558.454 1435427.747 1241125.358 1299332.257 552242.0376 567688.5892 593415.6188 590949.3462 561240.1349 622184.6425
5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidine-2,1'-cyclohexane]-4(3H)-thione 485.2132322 119.5767024 471.4083876 515.8657788 310.3818951 61.84672888 762.550483 95.6428568 219.7652837 1051.105953 1318.694485 530.6249595 651.5573827 673.9312861 24.700346 552.3226913 542.531561 50.16658327 4503.617914 4107.609355 4472.059398 4569.460059 3797.557329 4810.925685
Pamoic acid 21424.94349 45519.97217 56641.90303 18317.3615 29406.97924 22807.40365 15881.0011 15256.21019 18544.77682 10854.60449 10450.31469 13960.8217 21161.59079 21633.09827 29357.322 4487.169722 26661.43574 22758.56382 23546.88772 25288.7552 34527.59463 28535.86347 29026.73592 28669.27929
Flavin Single Nucleotide(FMN) 339379.1484 309822.4885 289875.3144 309204.6116 296203.0656 296341.7237 255857.8453 251873.8767 254239.5771 251180.7793 248438.2559 251240.9078 68265.22824 67753.2756 61079.38727 60964.48512 58266.37757 62615.60987 28429.32042 32528.93853 31331.45769 36225.05913 25068.46503 36671.29915
(1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride 3281.937369 3601.706321 939.7668854 3594.480915 3053.986725 2901.540505 2389.836501 1744.658313 1275.728807 2837.080499 1303.743754 1051.613215 43025.31179 40986.77393 42117.05855 45572.69089 43734.45385 45529.52412 24530.47972 25895.9441 23283.70636 25512.37359 25106.41846 24472.9859
Nevirapine 56.19860095 27.76504218 393.0244112 17.4974534 20.17062684 39.06542675 12.02946152 795.6421928 68.8349564 759.3155085 1203.467676 781.4773087 3243.331728 4277.141097 3557.502651 4006.198412 3568.882003 3538.376463 16764.19771 16131.56303 17264.06537 16989.6812 16585.2914 16367.56937
Quercetin 3-(2G-xylosylrutinoside) 899.4248877 278.1043321 174.6363037 341.4487595 533.2456964 159.9983728 213.0670415 1885.140114 91.85997027 291.4779969 643.7763473 88.83162937 23390.0065 10943.18126 12752.05027 8528.844581 2429.746874 12460.16769 13099.43098 9164.541515 19333.53546 17875.66603 11779.51306 17578.23677
(2R,3S)-trans-epsilon-viniferin 98197.74676 88886.65155 107907.9732 88875.81554 88748.09043 87192.34347 54328.32395 50723.15764 47990.61234 45456.56744 42517.14889 38042.99266 12910.01689 14664.3561 11944.8057 14585.78144 10041.94763 12629.80804 13522.78753 14932.48867 13855.97115 15227.99378 14826.80626 17353.07122
1,8-Diaminoanthraquinone 14117.16523 15094.98236 8464.103934 11397.37555 8025.958694 11906.46924 14705.99461 12191.67529 12257.69954 9484.698771 13624.02884 10657.44905 11298.08994 10434.25953 8243.48553 10463.41124 9681.994223 7604.176478 8387.901576 11677.57611 7727.187709 11063.72802 9618.792561 10478.46395
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid 643913.2036 653197.289 626806.107 661565.8313 613708.5476 597090.6527 644242.6891 639466.6531 637730.3113 640312.9053 664911.5472 642222.0488 428225.9581 391407.4489 382394.8988 400122.859 378500.8384 388880.1906 192314.2426 180407.7979 202106.992 199948.7088 192853.3674 198693.3156
5-Methoxypodophyllotoxin 90399.20943 91564.11559 19150.55487 57469.52897 28482.67357 85536.2942 404952.1657 325656.1686 355508.2124 428705.2773 258132.8187 991042.6745 5192.129725 5299.896653 7060.920916 3747.616529 4138.422865 3837.797486 4425.467474 4822.013823 4988.137819 3600.181861 3601.275455 4537.928444
Rindoside 2306.288955 456.8858502 1215.673688 622.7952731 1889.492603 850.6642581 974.9540693 2792.865941 2810.309725 1292.586948 2475.270843 2356.547581 42267.9591 65675.73986 26749.03616 31350.66607 43127.25662 35697.77378 19810.78047 22508.46868 17249.56323 28125.32405 16636.93966 18218.65243
Phlorofucofuroeckol A 1126.964963 921.5147921 1297.833522 1168.977899 136.7403308 52.15014969 2987.853839 2459.879451 2510.076823 1215.879097 776.091167 3563.446949 15371.3435 13610.2499 17344.19087 26397.34471 22440.89658 30426.9451 23331.86223 20519.10104 26279.26137 24190.7156 26436.20675 26297.26328
1-Amino-2-bromo-4-p-toluidinoanthraquinone 807.0855234 518.0008122 407.4165713 443.9273534 707.1447987 403.8202253 1096.604928 445.2043282 399.829878 489.7089477 361.9946886 543.4293463 3402.927628 2524.898168 3346.752779 2841.454558 3284.413475 2852.362826 1357.230971 1173.91922 1809.078104 659.3716012 1399.638728 1603.417903
C.I. Vat Yellow 4 340403.2105 1396987.644 3366756.866 1245953.557 1313970.079 423065.5355 1042227.617 1056754.052 1044372.538 852372.4997 1132796.041 1161554.637 353300.8555 421179.2689 172545.8904 482928.8293 437560.1321 461601.0387 43724.52437 120985.0234 3890.600332 110990.0385 14457.62326 22881.17141
Sennoside B 488.7426592 192.5542913 224.156817 290.4302035 228.5060067 420.1643947 1180.472818 166.0696663 834.593536 335.9766101 376.5787449 584.8247173 8407.497497 25603.54899 21995.35766 29690.88 26072.65141 26115.53014 12378.81781 11537.25982 13261.12457 12083.14447 13101.95086 11791.17319
[(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate 7765.971685 8680.151939 8850.079033 8506.522972 8276.066793 7595.335433 8829.232591 7715.190185 16511.26144 18800.6529 8008.570454 8808.635744 4349.796992 5669.489711 6330.044129 18918.65963 8324.57911 4542.891637 6584.10936 16287.82295 7109.907097 5056.874774 5154.425068 5985.298108
Blestriarene B 3295.548466 1679.299171 2441.482517 2854.325195 1574.826104 2615.596566 7057.159689 5653.559223 9361.745111 6038.324107 13795.52473 10403.59712 13053.52826 13074.82819 14542.28927 10529.26804 14147.86924 15430.78266 9067.458724 12966.33342 14030.77653 14108.26862 11881.02477 13412.4046
Pazufloxacin 71751.44658 58380.20112 69415.32836 70891.79702 991.9474984 74193.4753 69546.85386 54773.81523 67126.55217 57179.04216 60762.82223 77884.17157 4355.345668 4271.775548 6104.885857 3206.542524 2756.993376 3974.036867 1823.206182 1972.814759 1981.779783 73.77813118 1797.327217 1400.103019
N(4)-Acetylsulfadiazine 79925.90281 109871.0982 80517.30971 83327.70542 78529.89693 76155.51596 63144.53369 69795.79347 62179.13939 64310.48697 76118.81409 64581.87651 5963.182264 14574.54787 10801.29724 17105.89362 17530.46935 16643.33386 2194.258381 1941.119208 1939.546057 3238.100069 3669.511592 2305.378916
Pyruvic acid 35895.61249 34025.37621 32677.01954 37471.29941 32976.87491 32210.03798 22779.17847 23041.15201 20823.99612 22859.09861 22450.22374 23130.6395 93980.69549 142933.4604 150302.8779 147763.9178 152048.593 146760.5185 107733.3763 96950.18689 98767.17236 124782.8063 91008.32489 130543.8737
1-(1Z-hexadecenyl)-2-hexadecanoyl-glycero-3-phosphocholine 86.05252317 127.2960934 105.0758669 116.8777794 146.6452413 53.46448128 42.77139175 50.77492972 100.3695121 98.58554822 160.392364 33.09693661 2139.294997 2005.118263 1752.338503 2294.742557 2558.639739 1836.074186 2415.44523 3212.152875 2651.897529 2497.361905 2632.517585 2616.575487
Prodelphinidin A2 3'-gallate 89549.69271 52547.88296 96170.6089 71528.13747 90673.45672 52650.03233 161358.1527 159513.2229 147091.9112 91574.49372 153498.8017 92261.42957 7306.27886 9541.14136 5530.390515 8969.809707 73.17202381 27.23786844 50.75299974 127.5007564 83.07535748 33.83525268 1414.262356 2580.784674
3-O-Galloylepigallocatechin-(4beta->6)-epicatechin-3-O-gallate 277261.599 186300.6737 62624.58963 61383.87822 154635.9575 249419.2043 302288.27 295962.6675 292202.318 198671.9572 277238.2715 195143.2897 751.9769031 496.9899435 977.7933851 325.782608 183.0361323 433.843344 9281.167733 210.039735 2753.141415 460.4144868 35.00934494 102.8140439
Epicatechin(4b->8)epigallocatechin 3-O-gallate 16226.80872 18108.01607 21283.15923 19302.06644 23174.50655 13615.41207 24842.16666 31337.95782 29235.31086 34469.87373 38651.28599 34882.25021 108.3789442 1204.95032 1311.476409 249.620518 460.6068242 436.3115706 170.2594125 315.6953065 426.5213483 588.2148855 279.1621866 1643.311527
Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester 626751.8255 606290.3075 505671.9642 504461.4921 482209.4687 486404.3329 559330.2926 561401.7446 563120.7513 524180.2767 534111.3773 413406.0703 5386.733384 4264.219723 3332.713199 29228.73208 1908.700136 1488.394997 3253.534211 155.6965395 3092.336128 1101.622121 3244.806642 444.7378974
Gly-Arg-Gly-Asp-Ser-Pro-Cys 175.4178536 191.1699897 301.63191 215.8738152 372.8574637 279.8289617 246.3614282 201.3982309 218.7489941 123.6434356 148.1937576 156.6425941 1488.96763 2906.400501 2306.228754 4281.402201 3883.861093 567.932007 2205.763596 621.3176597 2180.839567 2777.925216 507.5385434 1758.938948
Glutaminyl-arginine 861.5791862 1489.939664 1350.673109 1635.375071 942.6109024 973.7505087 975.7633288 1130.12811 988.107547 1081.01613 914.4973313 1356.704462 2880.285194 2829.250886 2859.581656 2194.473284 2284.082336 2531.287725 2211.623501 2090.485097 2606.558934 2456.958859 1906.835985 2587.078679
Triflusulfuron-methyl 965.3933604 964.7666344 677.1940574 534.6691997 532.5234162 735.2121135 123.3588357 410.635983 1137.504913 1311.140339 428.4161497 871.6651446 8027.622671 10568.22629 8067.764652 8902.386538 8180.799933 7948.299144 3211.520085 2620.936874 2343.159448 2320.738679 2560.240398 1792.934703
Muscapurpurin 511.7285482 27802.39088 1153.153958 1100.584256 855.4465139 20762.40814 11041.63228 1608.084423 820.8916102 4371.525859 1507.510025 2237.839469 43429.17119 40609.25872 41852.30084 39725.07772 41012.92858 40169.52958 11240.85346 11266.27301 11470.09361 12699.2331 11623.09235 11929.62971
Musca-aurin-II 8159.561707 407.2992242 18794.51092 10735.59982 20503.97508 22301.18954 17535.45615 10036.92859 8790.868722 20313.57634 20148.42528 25142.64202 127385.3764 117741.0273 109286.7863 111946.9687 97633.09454 102130.8952 133343.573 161659.2241 123224.4488 166305.284 149886.7704 132396.9793
Vomifoliol 9-[xylosyl-(1->6)-glucoside] 78.6829592 461.9033206 220.1110726 82.99023988 201.7325628 629.3181447 424.4295913 320.1867007 274.0961556 247.2492619 448.4044465 172.2972352 4337.205463 4846.337376 4058.296536 4636.154206 4171.143746 5208.617116 1021.722633 1425.335602 1771.378477 1696.911847 803.732121 1485.120458
Carminic acid 17771.8507 17252.954 17111.82312 12405.03909 15474.23196 10870.83418 14557.44322 13817.29414 15832.52967 17085.90598 10600.56247 18011.62331 1521183.093 1454730.657 1205663.839 1290401.022 403242.0749 283404.1405 123134.8555 122412.6845 347340.5823 312295.8876 306563.7863 119343.526
Citrate 18907.14945 18023.45005 17922.67265 19224.80944 16739.6791 20464.25229 7371.398458 7107.637875 7449.17181 7539.52328 8497.900168 7424.71133 10550.58751 9311.069933 14395.94315 10009.42506 12301.34142 9775.615202 20108.34894 15689.57773 15534.17526 5625.557176 20034.5273 20576.07542
alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetate 236.2658947 1234.196466 152.349897 2199.340422 489.9608356 517.4929518 908.0609861 497.3034735 375.9965143 380.7195677 676.9560543 641.9100029 5319.813644 1077.12068 4847.674253 2611.918188 6078.501776 7435.897278 1209.662426 272.9584442 959.9865516 523.8154139 20.12741718 132.2991015
Adipokinetic Hormone (Taa-AKH)(Tabanus atratus) 52.78622947 28.34301991 11.5784418 16.34243231 25.35796795 33.3280607 14.95549474 31.74019063 12.45280478 14.07098729 4.281588157 9.397366359 21.84698618 5.246447443 23.09814344 1.326691203 16.64382199 13.88036446 17.00470951 12.20114614 3.738854804 1.92972898 20.03941982 20.76152314
Cafenstrole 4963.493109 2506.931591 2809.530583 3512.035835 3984.104007 3200.134465 3918.855638 7184.312413 6626.062986 10492.21104 2544.784646 9434.509773 23514.83737 20529.31273 20945.14877 25819.76131 14265.83758 58827.30896 23704.29953 22991.10189 36448.99483 34016.49102 21619.01935 21027.39395
CID 21594201 162.5639186 170.4765491 173.6187691 100.8489689 134.5660991 140.9510275 289.5924361 343.8376964 282.9914829 298.1627389 306.4007951 357.4764929 1946.189195 2950.455489 1876.415977 2770.175307 2550.358248 1893.121139 2426.76319 2425.876487 2214.756059 2895.760934 2146.955163 3305.383731
3-(2,4-Dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,5,7,9,11,15(20),16,18-octaene-9,17,21-triol 142.7193375 135.4779336 158.4327926 153.5372416 138.9247479 164.1055067 110.7505659 174.3448371 116.077044 182.4142952 133.4313795 21.21017239 250.5089678 184.7311552 137.6061661 170.9028116 227.541548 90.22186525 60.92724062 3.327086944 26.92860853 27.24055788 9.565341679 45.43571668
Usnic acid 276658.9986 264488.4543 256581.2573 266962.8947 255117.5434 247046.1698 238622.0096 235215.9862 231975.0561 227090.0178 243617.7312 230214.3151 1737.267087 7874.914639 7060.283158 4168.380803 2787.61493 5304.661398 1986.369388 2853.330425 5474.658831 1679.528301 1646.735469 1369.915186
Na-Hexanoyl-Nb-inosityltryptophan 1923.289792 2084.009988 1849.372668 1178.85729 1714.732381 1339.265548 710.781591 399.84607 517.7231756 645.893393 269.9628503 364.0198788 7289.796856 6986.179463 6817.731028 7472.553163 7341.201807 7319.319539 1328.339558 1297.130353 1459.425252 1474.347402 1334.979731 1453.965162
(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-Dihydroxy-4-methyloxan-2-yl]-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-35-carboxylic acid 3082.83583 5238.487405 1869.625101 3690.794011 3623.430597 2141.799271 462.8013235 310.653107 399.7600158 2368.318573 593.5318176 260.6918801 11734.36135 10173.88119 10926.41008 13076.35873 10767.7901 12005.97074 3190.123406 2265.112483 2629.656671 1598.878338 1898.843299 3324.245511
7-Epi-12-hydroxyjasmonic acid glucoside 377.9362558 275.5717333 328.8372823 578.8244504 352.4699402 211.0763913 366.1497196 900.9412363 607.0610392 617.8485203 791.3392813 746.9096601 8583.174029 10504.52905 8040.911487 9007.446083 8658.035614 10170.18711 4355.842074 14422.24104 6411.723849 8616.80597 6098.827322 5563.886728
Philonotisflavone 533.4229481 493.5305598 257.1303506 287.029873 432.9090468 262.7642642 308.0109388 728.7889066 684.7047571 619.6001032 295.7756576 208.6640562 4099.611057 5057.458586 4427.182131 5049.906781 4714.806205 4292.816043 3461.004937 2796.601621 2346.12059 3065.05697 3239.640733 2067.634175
Malonyldaidzin 309752.4072 303966.1101 295729.6321 287218.2764 293008.3777 285622.8362 531977.3359 568910.0236 534667.2466 573734.3168 576827.1487 541354.2203 1499.265317 16802.97382 190.7989818 1915.328884 11862.99313 199.8415168 5786.907137 2611.720688 3097.775837 5413.621528 4934.728331 2728.461041
UDP-6-sulfoquinovose 6409.686761 5290.685751 6679.505591 6398.547917 88.80467104 5647.141212 130.4509167 78.74306083 86.61692823 27.55997826 7268.188412 8713.685793 125944.7423 103612.8044 91104.13293 88416.9989 83441.36022 75335.05135 92564.86771 88147.10416 92153.61707 93698.88148 86484.1582 85584.90329
Dynemicin A 47350.50533 81895.21143 47256.49996 50349.1522 46827.73243 46476.40607 68990.59245 40800.45111 41982.3964 45097.53271 44607.15005 45666.71899 10810.33805 13483.78363 10061.34365 8392.261593 4032.973623 8826.199536 3413.379161 6792.831531 402.6859052 1875.643041 2636.661074 3161.736541
11beta-Hydroxy-12alpha-bromoprogesterone 6382.437931 5844.725584 6417.787196 5857.07677 7236.313985 6551.408277 3330.4754 3497.860979 3011.468483 2895.551872 2980.990163 3429.56534 2837.504054 2930.319634 2795.169883 2631.931079 2679.808491 2021.204327 6334.606152 6538.340077 6227.43041 7044.230856 5986.725512 6736.793256
Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 5088.085902 16021.974 6743.164879 22676.0467 20155.45963 22987.97269 6071.033083 11868.37197 15507.67765 8791.729553 21758.23678 15595.49886 1509.139355 1740.896973 1563.756364 8736.800323 2341.57652 1581.765325 988.2380431 733.2471371 1125.090354 842.6875749 801.6656499 772.6256664
Pyridoxal 5'-phosphate(2-) 721.4402675 441.4739617 39.6766463 98.28333142 152.6618292 115.4677738 282.0613059 179.4633412 209.1737481 268.3849262 343.7991048 248.1810164 3019.818143 2803.353281 1964.131067 2861.298252 1640.218649 3482.898667 10427.06963 8539.707024 8825.365555 9022.369146 9300.332958 9320.82349
Kobophenol A 10217.26373 1345.633202 4604.098772 9941.329939 8723.870374 5276.846854 1244.009355 1331.955508 1362.960376 1285.435382 868.172567 1075.803948 472.3308851 385.4877171 255.1165689 249.2595576 42.87256041 397.226283 208.8597964 232.1068032 261.0845992 336.4156585 65.57581889 172.2911969
Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside 2440.43391 2165.791406 1472.596569 2708.294636 3201.555459 1607.662223 1835.364575 1781.564478 1454.985289 2419.572796 512.2669558 1903.880579 543.9562655 663.8535358 634.9278454 541.6443549 605.1124164 593.6871747 667.540973 715.032502 604.312165 548.6241754 587.7245207 611.3357808
Caprylic acid 10651.65508 10834.04966 11903.37977 11774.73098 31464.00155 10976.35998 11576.2649 12135.61299 12679.78184 11562.30485 12550.53901 12823.57994 4498.422534 4933.956232 4778.15318 4674.19545 4369.356389 4479.952637 6602.064437 6353.253886 6705.965423 6594.373726 6650.709321 6477.825611
Cassiaside 10251.52118 10354.66323 10090.04201 11247.1267 9346.941969 10214.45501 16897.10206 15227.20707 14412.13029 14207.31985 18313.52041 14934.80144 8968.367535 9073.793981 7155.582901 8181.150769 6662.91239 8077.348975 1178.458441 2099.481455 1349.514228 1715.564078 876.0801067 337.9789625
Homidium bromide 77578.70782 81620.16756 84069.04989 82540.45524 84950.01757 82613.5299 36218.33008 41011.79296 43906.39862 37692.05372 23668.25116 20047.8908 10440.06842 10635.74481 8496.716151 10422.06344 9324.173224 111.6806179 1287.717936 1366.701892 1626.065395 190.4332125 481.7877605 280.9272671
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide 9778.543804 9396.692284 10079.856 9241.391412 9658.742713 10551.812 21458.84734 22715.0839 20569.48285 22009.42479 22303.8918 20503.59519 17.14940043 2081.888598 1755.150733 1562.46947 2201.487464 1537.92243 1335.722905 1286.425676 17.57807559 36.3351507 70.74180533 1147.085375
Ginsenoside La 168.4501648 759.9837251 528.2915159 745.6720822 563.0586221 178.2225832 146.8780574 361.3395503 272.6563451 329440.5163 254.2008588 174.2321223 1221.256805 1062.462727 1575.616424 1641.460135 1785.885226 1229.642216 14966.40458 10256.11982 9849.096685 8610.048645 8747.5871 8829.359119
Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)- 18.2182171 32.12815911 679.209968 16.74108647 460.3682501 752.4961168 43.69910059 85.67509203 335.1954337 7.385751311 20.68005492 8.370506735 13987.93998 13717.1134 14207.27199 13470.89509 15183.12497 16574.00878 4059.145374 4126.893272 3890.792035 3618.855097 3779.046437 5308.628418
Prulifloxacin 186.5261838 260.8406555 148.0999974 140.2578492 233.954171 153.0762991 388.8821032 261.9807688 963.3400872 724.1390444 705.5151037 891.2135716 3617.536459 3719.483256 3430.413939 4168.151572 1801.671798 4418.804084 266.8492769 15.52628929 135.5966475 342.2616892 62.10535107 60.24206923
Clofarabine 66056.63671 72519.88411 73041.35884 74124.55422 65835.24942 67206.99997 50746.56058 49235.29583 44629.7793 49217.98685 56378.79699 51006.08868 89606.80669 99397.06007 81134.86233 94974.31187 109499.8956 92445.44682 28423.73432 27597.5307 27812.40395 28186.92756 27254.26303 28211.52051
3-(3,4,5-Trimethoxyphenyl)propane-1,2-diol 221.5828925 140.0389963 123.4900577 106.0305292 151.9376058 64.99622054 72.97687836 68.38630217 236.9876003 221.139645 132.1730787 160.8637777 1133.94223 549.3104625 1069.611491 1251.943862 1173.510075 998.4154279 1896.593553 1512.981144 2623.599954 2576.232946 2148.282095 3117.451019
Isoquercitrin 4''-rhamnoside 123773.3845 125764.1298 133944.5918 127345.7797 115697.4886 121585.7764 161061.9372 166903.5156 157184.8358 567629.0641 545289.5807 550905.3459 578.1489771 8344.501817 11072.20284 9050.481388 11256.68493 999.45122 727.1180445 16.12295284 4283.415099 4314.299234 3783.766145 3084.966561
5-O-Digalloyl-3,4-di-O-galloylquinic acid 95.36616865 122.100935 119.0413543 581.7948132 522.0293113 927.3609849 1813.751048 1498.790218 1411.39545 1782.091699 1874.52063 1291.148545 135.8514754 69.89361182 53.42950453 82.46047454 148.3145496 46.14317874 34.86189895 63.18097781 51.04153985 42.86892466 64.46803061 117.3362153
2-Hydrazino-4-methyl-6-(trifluoromethyl)pyrimidine 11746.65867 9569.849233 12094.19198 12334.29207 8873.970167 9768.811034 11042.49011 11981.0976 10010.98737 10161.95191 10853.62954 10522.7493 6236.46705 6293.550914 5646.19985 6579.947299 4885.898881 4813.498819 3156.22329 1941.857744 2132.944503 7089.345075 3289.638919 2801.740521
Hydroquinone 83081.81774 76142.31188 75518.95296 76510.9376 72341.98992 82437.66189 38662.32848 47480.77002 34513.78446 48964.64778 45554.3519 43439.26067 9257.43297 9718.22039 10237.9161 10004.35817 9174.208341 9696.103613 435.3008207 193.7451349 329.688015 441.1254127 92.77251523 662.5159576
4-Hydroxybenzaldehyde 10.54594281 160.8929233 278.1997367 306.3455309 263.2871915 2.349343572 221.669779 193.7429927 145.0320744 154.5668448 165.2011095 116.5654542 323.4462727 269.8082205 294.1082538 344.1231491 228.394792 150.5799238 5255.050841 5450.648129 5502.005529 5169.046552 5179.210076 5743.078152
Rimsulfuron 607.131419 654.5266095 1245.222999 1011.976111 686.3715675 185.0199615 57.77087033 1130.827239 124.6268348 235.9674977 475.3073644 27.39344346 4979.596179 5454.715075 5762.821024 5953.765198 3689.888009 4831.276193 47223.79461 43171.5021 45099.83667 44567.09315 39404.12653 45939.19053
Cefoselis sulfate 59319.26733 55660.41133 58455.32109 61768.25865 57741.89863 60383.62933 55581.6184 59476.64314 51383.16028 57421.78384 55958.98472 53651.38976 710.2122982 28.88803957 899.4818945 144.8986193 388.0959281 1041.516099 177.4554596 650.6931174 100.1450761 1526.818272 343.0429808 1300.72679
Cefoselis 202.7716681 4417.644427 3210.094063 230.9057871 260.7054899 2774.501165 180.7480297 5082.631844 4289.565517 136.8452304 3460.190279 65.42565933 29398.68788 30516.00814 29217.47279 28110.00124 25591.55358 25661.54924 64185.04838 69408.55395 69063.31397 72202.8268 63742.11807 63125.49234
Cordeauxione 50707.61922 47832.50138 75123.09993 61967.67951 65258.32958 41895.3135 53820.95578 78083.53049 73944.35947 49870.23856 48430.01336 65087.92785 637.5269769 6137.326645 5452.925433 19148.77776 7629.142376 645.1352556 2129.34772 295.2384404 1723.614548 376.0332997 211.9376848 1597.997323
Gadodiamide 1231.73791 1439.991443 733.7693173 2011.103508 741.3203727 434.7046661 1076.144735 1528.524045 973.6592786 410.1623532 543.1305748 639.8848649 27381.72091 27661.15049 26126.02254 28678.81573 26746.1742 21817.61503 42659.02148 45367.08358 42344.02602 44144.75354 42218.61797 44822.51989
Ibutilide fumarate 441.2194277 439.5192708 14.90607277 271.0564446 474.2135991 410.6555814 175.2652503 174.5688288 226.6537965 27.82419172 196.0567927 296.3038028 687.843289 1906.767738 2583.781346 3122.105602 2360.415873 3360.884761 3108.163244 1602.389644 2183.309463 1264.522807 2323.053307 1555.599865
1,3-Bis(2-methoxyphenyl)urea 6672.750986 5875.572173 5564.249784 3944.866489 5502.113909 3745.631137 7985.058787 7708.500075 6097.453802 7932.828055 8142.363988 6217.851296 24226.72304 21756.49224 23594.30842 42943.1163 21057.71597 26342.44126 13722.44575 12013.27023 11565.6378 10135.04196 11639.22384 11700.56206
Imazosulfuron 4579330.49 4658844.798 4563109.533 4724659.14 4412659.056 4487641.576 2521087.933 2453062.432 2199520.079 2403531.709 2655050.032 2457819.081 238170.4925 241243.8964 229198.5949 234706.8793 235525.3807 217465.8978 101325.3799 96742.75449 108278.9474 101981.5168 102673.7902 103553.111
Formononetin 7-(2-p-hydroxybenzoylglucoside) 371709.1243 361705.9302 350859.7899 364793.1798 335740.6501 351827.7821 261061.7653 259085.8326 255325.8721 263002.3562 268938.7806 259738.1626 473.4307297 9307.666814 2897.608157 10177.62406 9533.499342 16874.91777 11849.64883 15707.96781 696.3790061 14277.74631 2453.769123 15142.75646
4-(Rhamnosyloxy)phenylacetonitrile 4436.580707 3937.477846 3767.162972 4539.766429 4055.964927 4413.113818 355.3232707 296.2505338 438.9565768 482.8429993 484.1960072 192.4028893 323.6444555 124.073656 200.6853579 223.6687422 216.1340429 341.3501666 124.2245244 94.92722385 176.8969708 96.83837665 629.133324 70.46138625
Phenylacetaldehyde 420.8950737 313.8058675 491.0557849 195.4883786 166.5932008 186.1157262 146.9550054 293.508073 217.6025107 233.7589301 134.7458136 178.2286537 5991.826053 4757.177596 5496.597867 6124.974212 3903.028886 4393.225542 4874.297753 5414.411945 4856.137947 4563.35604 4781.53045 5257.665165
Aurothioglucose 3173.112858 3003.904457 3060.795143 3012.317718 2972.535609 3626.862345 3121.03415 4015.29203 3636.474291 3145.403538 3667.230504 3837.541287 5049.544968 4484.642848 4022.006184 3495.95517 3411.494657 2917.901203 2435.734285 2199.998672 999.005705 2869.476411 2584.826781 2250.962007
Leonuriside A 11437.41234 8685.688008 11592.01765 10568.61969 10263.41413 9630.500618 13587.37954 24070.29251 15708.63061 12636.62303 15096.06038 15131.12391 18878.14633 20491.39645 20911.02409 21754.1264 21820.09374 21700.52579 3647.455004 3956.09337 6383.56083 5322.319039 4678.303313 7208.918644
Agrimol F 302.1367602 401.471555 384.7939566 808.4235556 793.3267628 215.0192828 216.3603313 336.5612683 211.3450088 106.8896648 311.5254765 520.2412543 4089.932647 6874.941704 8962.951041 6287.245117 5689.688462 8529.068681 15223.47064 14417.39889 16602.78959 14744.3129 16197.71074 16111.16351
(3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile 90.25725674 26.04765847 42.42162343 516.8962985 263.789175 154.0077292 244.384593 150.6355249 95.12164014 147.1515663 116.635139 112.341731 2664.954418 2533.085796 1719.591764 2790.083178 1022.7455 1948.450535 453.8924405 263.4382616 300.4819869 660.6200923 427.7484391 490.1960364
2-Isopropoxy-5-trifluoromethyl-phenylamine 388.9899537 128.5815342 255.2492397 250.0676522 252.8239048 391.645719 118.2928599 222.6453187 478.4636042 214.2852725 257.8131265 51.08606301 7802.830337 8227.320632 8239.063016 9308.179549 7662.579501 6593.890969 908.1992721 626.1863337 1010.506259 796.3137659 1025.767172 885.5179961
Calphostin C 65486.2454 70525.13634 68339.441 80993.43764 61963.44221 80989.21586 51824.83267 50827.25681 27365.47795 44529.35959 56614.14136 47730.86385 207.4467936 388.9200938 1330.613955 243.3747086 76.69455229 748.4649368 327.4211554 165.673378 961.7427964 127.2728519 1003.288557 1011.16692
Propyl gallate 98922.74009 46648.8011 103416.1074 93694.59648 91781.10719 92893.47084 62401.88263 61817.74131 57941.82564 56180.22902 62544.51574 59881.27691 2257.640182 3294.531618 2115.014644 4717.064621 3923.78802 2941.567 21501.70458 19220.75371 21393.9192 20095.63031 18044.32675 19669.45541
Haplodimerine 20325.82061 19693.61236 21710.14631 23653.58982 18036.23485 19231.15783 43942.09049 44865.55652 44439.29715 43401.36252 46596.40167 42907.77466 559052.2126 526959.5043 544573.3014 553414.7339 527846.5962 545214.5684 949523.977 838478.7038 935274.2463 932872.5463 897031.9176 936277.1133
Isoliquiritin apioside 19443.2662 18780.98599 7985.234498 20233.48889 20069.9474 19665.21811 12359.85094 13868.8431 10409.42365 12952.86923 13263.40429 11357.56001 78342.74892 80069.59919 72057.20866 76795.99319 75805.3166 79094.17868 25643.30659 24271.33784 23397.77196 84474.08667 25140.69477 24546.57048
Amidosulfuron 17924.12137 19328.55401 18287.29542 17973.31197 18966.56091 18514.33628 36059.15134 36816.92159 35556.25798 37557.5426 38915.4802 42705.92137 605.531058 467.223367 158.4727486 2040.189708 137.6645852 270.5170545 1575.9739 1853.009627 1904.783436 1732.11207 1833.127614 1897.098686
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol 261.172072 419.4066289 365.3639602 137.8341434 217.2917472 91.15787229 313.4290267 298.6571623 376.3721889 375.9626546 403.3724725 418.5495506 4695.705979 4280.650518 4746.159546 4700.646303 5289.972739 4564.986854 10701.14372 5539.307692 6227.246248 6085.605157 6161.482937 5585.471432
6-Acetylphenazine-1-carboxylic acid 2427249.278 2194682.57 2523519.326 1986175.899 2390875.809 2224880.246 849016.6314 800267.9623 697232.3491 814732.1225 776137.0838 907419.7098 371242.4415 427764.3215 420971.3404 343237.5931 469656.0303 339410.2495 292965.5271 243255.2837 228922.2999 230504.9206 213198.8041 266366.4543
p-Coumaryl alcohol 4-O-glucoside 15423.73937 16203.52095 18280.47278 16623.38406 15923.69231 16510.76949 9601.312949 9567.635345 9324.912577 10632.71189 10441.51175 9530.801611 332.7846142 30.1627955 146.1972341 125.5755834 306.2427751 678.2016407 707.4397889 142.1957636 85.87167717 210.5237136 683.1266578 806.4067939
Biapenem 678.77164 113.5973506 366.2482131 647.7121031 261.6244962 542.7084672 385.5752798 327.0273318 159.6902447 159.8217006 258.6293912 48.78102076 1916.404248 1702.050114 1759.627299 2276.806984 2282.437412 1850.49504 437.6761011 763.3341712 456.7595122 781.5132285 701.1180292 249.2133172
Jionoside B1 386.1757148 1035.806559 648.4522187 783.2755674 139.7477807 464.6099068 4427.821832 3635.617684 4763.516309 4615.018383 6469.437816 3263.50027 23600.558 22333.04411 24452.44668 24644.47528 22323.82987 23445.23883 5251.936213 2618.095169 2799.264281 4114.284894 3394.790094 4091.139929
Zeanoside C 15230.12294 13490.42594 12914.29007 14382.31699 15481.30779 9935.781353 7817.223606 5653.621304 6439.513479 6809.346388 5310.633309 7038.672405 354.0069218 354.7236073 657.8884403 107.6794178 416.2016168 322.976139 145.6463216 104.000932 146.4417234 172.5510559 8067.607817 162.1749374
Geraniol 6-O-beta-D-apiofuranosyl-beta-D-glucoside 825.1624505 8936.647571 12020.47023 852.7892864 99.89603964 81.80449706 12191.93666 767.5688941 1669.875137 927.7540939 10072.40924 249.5170158 122576.8702 117673.6709 123709.5489 120462.0919 119505.6355 123988.7731 433036.3537 417471.7618 438050.4158 426825.6971 427320.7898 436285.0229
Azimsulfuron 363.2960746 89.15169558 31.51613749 1758.818334 204.6386819 1679.943868 298.9708347 131.2451254 573.7646285 602.9014474 2668.207565 283.2124904 11547.95964 13592.48871 15827.00857 22997.60155 8984.857915 22307.07304 60903.4001 63510.40676 70534.02786 64559.26742 68866.91856 69742.4988
Dichlorphenamide 249.8219193 89.22629094 232.6762252 398.0971192 290.8200459 345.134543 474.8148369 366.4112985 648.8202665 414.3588223 64.3395484 525.0345259 4166.998343 6609.64222 3094.752771 4689.690049 2378.019346 6542.843978 3678.326951 3565.5562 586.4398555 3551.140287 5715.327193 2821.061519
Pyrocatechol 79639.23633 81380.25115 73291.89896 88839.26136 75292.67432 79463.69078 49684.48857 49742.65165 43131.58719 46588.20112 53942.79679 49034.73443 12201.98523 9924.289615 11205.36682 11491.23874 10570.6695 11000.5378 2685.222987 549.0653395 1410.514903 241.964014 431.7741822 433.3385626
Indole 48112.43496 45857.98709 46865.39542 48303.82361 46270.706 45934.03025 76884.43978 76227.27942 76069.15339 78575.89364 78768.26337 76496.1226 25569.31736 24949.05597 25160.78785 26138.2983 25560.45484 24440.20715 8021.301745 7206.426853 8080.180405 8119.246754 8102.397203 8761.68793
Esmeraldin B 247.9746494 737.3585045 1201.206207 831.173143 658.6843823 258.6801325 1357.123641 627.4405613 147.9610272 227.8059002 1290.211619 634.761608 2530.739443 13454.71955 36829.15852 16694.45632 30635.13609 36701.48159 4044.694657 2930.885509 5240.39031 5088.055503 4180.844503 5355.45782
Quizalofop-P-tefuryl 38438.08996 36659.76943 35977.30023 20396.95414 33326.04375 24536.84081 10514.90994 9262.218427 8270.64148 12879.43851 9739.972303 12205.8318 9895.444164 10022.84709 11389.6663 9445.750194 11275.39679 9862.965635 9699.118131 6530.407486 7359.317682 7581.710161 6945.420074 7760.542203
Moguisteine 29413.1997 29841.95241 28052.67474 29627.81149 29890.04772 30429.84418 17982.35578 18213.02377 16680.0719 17647.65496 18944.71422 18034.88411 11908.07333 10834.96184 12253.7562 14381.95349 12506.05977 10832.34299 908.4360436 10850.81853 1611.464477 12985.55417 535.1076508 10302.15719
cyclic ADP-ribose 3478.716465 5836.857708 4874.288613 3885.411257 8764.072393 3726.642801 3319.641466 2878.371544 3363.161263 1522.151748 3544.492613 3565.472217 8954.610265 11955.28537 8586.220753 6781.72457 10089.95115 10254.11886 29691.57403 30320.3902 25006.77395 23205.2133 22353.5941 23940.02107
Anhydroamarouciaxanthin B 2393.61028 2156.99285 1939.59447 2197.459766 2016.464363 2113.977206 2041.32786 2358.587201 2622.006131 2819.726931 2591.346805 2437.157315 304.9904614 378.5465872 238.7967072 320.0380909 13.08209395 238.7219514 37.47979104 20.61485735 45.54329582 64.19797626 15.06472086 134.8123616
Erybraedin A 1610.488759 191.6355011 594.5521442 816.6027829 579.3679396 315.467912 1526.251655 1184.407382 1408.963003 1074.724463 937.7165191 1520.101412 12035.99488 11471.80309 12568.68513 10217.14793 10801.26941 11813.71629 6460.51326 7989.531949 8581.665176 11268.19766 9752.919685 8837.885445
Rabdosiin 6455.057542 5063.64285 5723.999055 5319.738697 6351.653734 5817.758198 2064.214459 1182.767882 1568.796165 2517.589655 1884.89439 684.1109802 8286.82246 9855.407481 7570.620103 7659.054203 8749.723519 6395.108293 1445.98948 2877.515577 1941.117311 3554.914146 1161.893978 1568.985234
5-Methoxy-6,7-methylenedioxyflavone 91.1298309 76.12546552 295459.674 2595.019579 2722.114897 63.68469688 4708.804644 4810.347742 6922.938053 3025.621653 5464.321755 406.0330916 185799.6014 189969.4395 173781.269 213332.8853 182236.1886 180873.6649 58497.10665 70164.31719 66199.70575 67796.96686 57652.47069 68444.29146
(3''-Apiosyl-6''-malonyl)astragalin 2302.182382 849.8666868 1189.729267 2725.072921 2880.500284 1075.564946 758.3578551 595.1378005 775.9078833 1322.736153 718.6955505 426.0039097 4935.083554 5542.066666 6154.624612 4312.418926 3365.319343 5715.46314 17291.95175 16115.70657 17196.69171 16099.46783 17171.8634 19677.33732
Homocitrulline 48561.49007 47194.51169 51479.64204 49516.97611 50560.51161 50062.65516 45535.09195 42444.37441 45107.59875 46028.22654 44787.37471 45798.10179 39390.24693 41705.24258 42842.68173 41508.65682 39749.34531 40128.841 40870.00379 44267.88014 42950.62223 44691.75783 46581.23413 45317.24458
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-phenyl-, (S)- 2714.74325 1713.047578 56389.01053 3043.133356 1436.47199 7363.423857 70903.92178 9150.118378 1787.332472 13453.61987 2074.020829 1671.602789 55713.40419 1544129.82 1490268.375 1568953.996 1523368.266 1542195.987 478506.9835 450716.7885 513419.1254 487470.04 474283.8032 534184.7704
2,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline 136333.9043 143184.7683 357663.5933 322691.036 303015.5742 289077.1985 312.3473683 28670.89744 15367.99751 32375.90807 19038.4325 3790.852713 1006.339583 9765.475932 6757.820362 8530.645416 11779.38221 7771.591868 3127.429673 4236.013974 727.182367 3719.098235 2044.706863 3389.46436
Carglumic acid 29476.28903 30938.90318 27467.1766 28640.5936 31227.57516 29832.47339 27812.8148 27797.32242 29457.05819 29029.57159 26236.21656 25719.7483 17011.35779 18375.71779 17336.10395 16977.24662 17100.36028 17428.6826 4513.574808 1564.130506 4986.408036 6033.651848 3061.67729 4609.316034
N-Acetyl-L-glutamic acid 1695.799451 612.3861871 1288.590443 2159.660635 1371.521284 1443.818135 226.4236404 93.53031371 24.37851763 418.4192999 571.885969 449.9311962 2004.153306 2333.635004 1873.606962 2558.616886 2210.184929 2056.834443 6597.778917 6526.699485 6799.282453 7445.37768 7620.062643 7271.884598
3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside 33458.5027 32130.72852 33072.40555 33154.9361 29657.60708 33955.92025 14356.06175 12920.45898 13895.2492 15791.5436 13848.56064 13716.35952 38503.93453 42717.3982 34503.87265 39208.67802 41564.29577 39097.61743 29162.43378 28390.92111 27209.25587 27500.31344 29248.90676 29954.07101
1,1-Dihydroxypropan-2-one 10741.83364 9115.618854 8622.526285 9507.147414 7948.346259 9969.721188 5904.299464 6666.007092 8590.79581 6504.549386 5356.934138 5305.479891 10445.12105 8241.98531 4643.12891 8603.282323 4602.699912 9962.627623 20363.10095 21813.29846 9800.108902 9077.203893 21194.26166 10473.24534
Ampeloside Bs1 41841.20233 1966.590702 2900926.839 16453.04953 2794851.812 9128.806438 1618.592021 3253737.876 10211.2699 3224329.166 3387445.859 3217147.838 2525.004387 2457479.96 2448819.661 2552604.152 1812.880587 2445496.381 1831997.6 1777552.691 3431.421181 1862105.498 1825125.581 1884786.893
MK886 sodium 7153.633307 7894.914055 7124.902236 7129.253219 7039.629913 7088.541395 2902.198175 3295.282432 3018.260219 2931.560293 3178.7137 3055.709485 271.3507195 33.55128584 32.22686974 243.9949057 266.8991069 185.8708555 44.37029738 177.6269121 31.56457044 47.32985349 13.98884311 202.5385235
Tyrphostin 47 4013.791317 3492.021061 3667.24902 4054.576253 4309.27183 3998.467033 4152.410155 3857.622979 4424.805605 4303.150984 5223.671469 4011.92879 12074.98623 12677.77457 11892.54859 13590.3085 12660.2937 13412.67887 11735.74737 13428.35157 12166.66588 12472.78679 12435.23291 10820.01115
Prednisolone 21-all-cis-farnesylate 4847.678883 6656.377008 5416.52695 3703.804228 3294.54683 4748.443934 7393.675659 6981.450733 6653.895618 5799.166963 4480.653437 5490.575139 10534.78591 9012.392136 8527.792283 9067.210793 9121.884865 11507.72677 10390.54386 9860.993237 13720.6328 10959.54482 9427.026002 13862.23234
Clomocycline 17898.7982 19407.49509 15059.6367 11965.71646 9780.538759 11244.94011 18770.28073 20027.24133 29278.92864 19324.0821 19564.39712 17930.39843 3042.353026 3776.582247 3761.358268 3409.263947 3177.177584 2955.861331 470.4307554 1076.486266 1855.200822 1004.376131 179.4725491 1211.519173
HIV Gag (129-135) 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 4458.358904 4818.617757 4695.430863 5922.331329 2882.584104 4453.908317 14625.38807 12675.95924 12263.58509 13634.94741 12238.7503 18391.93107
2-Methylbenzoic acid 33.95878644 413.4385601 13.02469192 2.853331836 303.8731329 9.142352774 390.1080344 427.9369047 318.8398663 12.22865365 743.3920075 404.2690786 557.2659101 1500.51334 1652.803611 238.2053809 1582.455055 1534.201961 32747.70403 19743.70349 20591.20348 20729.11983 19666.06291 21409.02732
Ethyl salicylate 101460.3476 97077.21566 100525.8445 103153.4992 96268.11314 97347.2602 43467.36116 43803.69152 40096.27398 41933.67529 42835.94273 40675.71473 61850.21801 61028.64018 58773.39962 59471.7824 61193.52623 60691.04587 6527.588298 5283.215073 6762.73646 6995.408142 6293.690786 6452.387326
Eudesmic acid 430.8563659 433.3929904 347.0620829 632.9597666 1139.314187 276.640949 297.780128 241.5118128 409.7100679 543.3092688 136.4837887 1109.773774 324989.1871 385948.2072 324930.6134 376944.7902 390565.4949 357626.6102 762110.9563 758002.2352 734430.7262 769675.2708 748697.7259 762999.9952
Syringin 121808.2479 124152.1706 125745.1918 117076.597 120185.935 119418.968 117337.6087 113933.3684 111630.0338 106454.3591 119846.3656 110237.2042 97720.85672 102509.1154 98711.57768 103545.3972 99690.51717 99431.62949 39780.56801 37532.7502 40943.01549 37496.36636 39886.2735 41314.44696
Rabeprazole sodium 44769.53428 62162.83674 69381.07676 54550.37882 46269.49488 49414.57268 50524.30312 56645.88232 62974.54353 66571.97591 55480.60687 49425.63201 10908.87746 7709.942017 8960.239825 10687.70427 4391.94156 13483.72542 8918.258004 7495.240846 5200.195573 3563.147747 4324.904047 4716.787034
16alpha,17alpha-Dihydroxyprogesterone acetophenide 30061.90483 33026.74655 34074.60825 37303.10945 33800.4892 33300.00481 41561.51835 33525.12594 33574.5699 33591.35651 36954.05719 35740.17152 23039.84396 4633.265573 3718.21301 4284.951012 4910.069904 4467.830921 5751.772587 5246.138085 5674.632567 5378.645215 4897.351503 5713.029553
3,3',4',5,6,7,8-Heptamethoxyflavone 243583.3721 140820.8371 142460.5124 149348.4285 247797.959 135334.2479 106918.8013 204013.7153 106128.9589 108611.033 214057.3864 108297.9681 9244.683945 5940.218067 153.1758519 8319.349026 6614.492422 6427.541764 56.54880347 47.21516116 4032.692378 87.8429772 3706.43461 4229.288812
Pradimicin A 100.548617 7.907906898 109.1687338 113.4669953 64.13676396 128.8544233 57.90578893 49.86970576 18.23798249 129.8032602 18.86491077 41.89041258 4942.456745 4616.060253 5376.072486 5560.788595 5544.898424 5313.937681 210.677618 132.0682235 70.13074603 87.87006291 222.3039745 229.1952149
Dexamethasone acetate 656.737896 701.6164283 6493.79733 113.970114 367.6864286 49.46112296 786.8008821 873.2922476 1209.443729 594.5811939 4902.698914 190.5170526 180674.4069 172102.2284 176447.9491 183204.6116 172634.9874 171918.1941 230768.3161 211107.892 234159.0809 224865.676 225436.6256 230326.5149
Flavidulol C 68110.36343 67036.98859 69558.13567 65661.28408 60840.04965 68605.36833 51727.48775 55370.06339 53649.97613 49500.29735 53434.22947 52047.03975 1698970.807 1790968.877 1692899.239 1778119.423 1850813.556 1729268.866 3263761.462 2756861.004 2838491.528 2765295.207 2836151.022 2884855.4
Spectracef 63030.49379 59051.04712 61723.69599 63521.17818 55563.98748 60220.64615 90754.74656 90755.83081 89210.03993 87563.62105 93721.38903 88599.41647 584.5071135 325.4617975 4011.098981 192.4570766 1002.65254 199.9057736 69.8629982 199.1723449 182.7258104 313.4063971 128.5524649 2159.009459
(3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl) 3-chloro-4,6-dihydroxy-2-methylbenzoate 2152.14906 1028.85748 1531.645358 4610.923394 2334.887866 4209.680056 5032.075126 8141.045048 5995.911576 9785.61072 8087.418654 4611.134477 19921.61489 43694.23921 28227.40068 73165.8642 48197.693 47888.40223 26505.21406 25367.6458 31927.7769 29357.18087 28318.15939 29107.61621
Melledonal C 13022.15833 14034.32909 14214.2569 15149.07808 13466.94962 12110.82936 731070.3754 172686.9084 615675.1089 665225.1056 920591.6389 985969.7167 2494.249365 7045.435746 8319.291908 7258.374467 7365.092237 7857.552304 2511.231289 2145.564829 2673.002105 2280.601528 2650.735234 3363.922606
5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid 8422.20405 6944.176798 20362.18398 17472.10577 12821.49186 6270.677083 2698.924201 3666.40575 5075.829833 14794.06277 18341.78945 5294.485168 39067.15235 11789.32598 25829.57607 23204.98886 24886.03622 21116.15505 19484.52628 32950.19452 40231.1855 38574.12176 25478.89063 43059.83251
4'-O-beta-D-glucosyl-cis-p-coumaric acid 1829.302241 3665.971044 1577.156401 1443.66494 1327.143556 1693.544636 10897.04968 2742.584543 2371.787489 4888.936858 1724.887407 4216.571357 500340.42 491774.9644 464284.2516 494358.8432 483861.3379 461020.5382 2240724.928 2167456.038 2439968.737 2381721.898 2346727.349 2312428.698
4-Chlorobenzoyl-CoA 708641.3995 709097.7427 455.2325296 697398.5644 3607.17894 2062.481561 1430.733474 765815.4592 747170.4818 394.5321276 797285.5626 579.7233554 564120.2285 578384.8255 576296.5845 600773.717 559924.1146 575569.9944 431186.4445 418194.3953 444575.7851 438004.6357 429482.5876 443611.8168
Tetracenomycin B3 473.3797043 223.8769466 879.4535643 501.8406263 110.5196483 272.5267648 56.92199468 81.24685079 137.114755 226.0673164 175.0821211 139.1421899 746.6335901 1992.05685 1696.463685 1636.762068 2057.039401 1251.876905 297.2452813 246.9043197 370.9456964 453.0289005 258.7427548 190.5495641
Isolimocitrol 6642.644152 7021.177468 5129.541921 5276.133986 7181.414429 4814.471703 4845.430443 4404.514811 4606.079966 4587.71336 4110.160387 5852.451349 4580.043151 3906.286758 3468.972837 4376.111825 2185.412431 4620.565331 7648.181683 5746.9454 5126.356791 4719.764586 4635.221261 4847.678337
Lysyl-D-prolylthreonine 570.5353379 500.4015598 428.9308 152.828189 326.9007108 366.4708125 3811.78426 2726.919474 3455.79104 3354.890516 3957.155231 3830.615194 16671.69811 17179.48207 16072.10635 17755.48406 16934.6428 17487.88782 20956.60329 20418.68082 23290.08331 20631.18431 21935.42614 22184.52433
Coumafuryl 4592.041178 254.5018201 5315.113305 131.8200917 4476.591475 4266.905216 7646.494024 10067.2063 11050.60417 11596.0323 10097.23767 12740.83568 102655.4341 101087.3638 101960.129 103290.352 103705.6281 104225.9953 65036.26597 62374.22724 67442.17493 66578.31628 67877.5688 68078.45409
Rubiadin 600022.7975 638156.7011 639365.07 678434.549 624393.7202 619533.6284 513380.6665 438984.7412 441712.8988 781755.3484 474768.161 451682.8025 261.5744905 1431.80002 1094.331866 1629.222739 15263.60749 14476.67503 891.3420063 1313.477507 583.5506877 210.9102311 914.6646997 1243.505927
LysoPG 16:0 10084.27709 15173.35299 5346.048669 5203.394032 2309.031802 8117.546487 5213.299545 9567.552175 9917.239795 4838.952484 6392.909838 10145.55513 97292.41193 41139.48063 83683.0972 95325.57934 92327.89601 42056.57812 29073.12243 13014.81992 19113.36463 13976.03693 27789.01179 17846.70185
4',5,6,7-Tetramethoxyflavone 61.30745726 435.6757155 559.742416 16.33638049 69.75124952 56.16784409 382.922817 1032.629414 791.5388372 814.1360635 856.3258185 32.67272148 4324.09717 4160.833976 12537.21555 5399.668895 4726.391771 4264.068174 7794.032797 6332.078456 7879.641399 9356.407216 7394.009588 8728.474155
Sampangine 100032.2978 101239.7584 78538.73527 83416.28619 96041.52884 101749.5926 60820.64067 60548.13976 63116.05909 62919.72097 68263.61695 65178.02454 3691.075489 110.5428454 4094.97365 3846.236194 4380.535762 3832.06717 1150.519153 2063.136261 27.97423368 1881.536769 28.42558655 1288.104628
Ramatroban 266274.5971 273026.9318 251479.8411 264988.4778 257625.433 256376.0826 256013.7769 255408.2837 185704.5041 245851.491 259419.9086 246918.6074 194721.324 190457.5975 191892.5355 196433.3122 188145.4358 188045.2343 66458.86286 69093.43153 74765.40418 70795.46681 75058.36198 73201.60655
Aflatoxin G1 3448.158312 7909.237906 6895.940913 5791.046165 4485.36114 9656.752794 10501.30742 6883.942117 8359.559736 7052.649682 9387.602195 13827.59819 88518.35267 146229.4933 74932.49824 59704.67217 76737.19999 135276.1707 56292.6648 28158.4917 49403.01926 64665.55479 33166.39664 40597.61039
Theasinensin F 25160.03579 23747.2931 22353.88745 23399.32388 19988.44327 19785.54633 10295.44317 8527.567105 10487.64642 7406.973791 8777.486017 5868.769066 5281.356286 4952.03468 5487.056261 4902.215978 4144.657975 3082.034959 917.8488233 794.7234498 950.6730406 929.5152569 689.502662 925.8543981
Oolongtheanin 147059.9683 144891.6088 137608.2793 152408.9728 142228.4821 144392.3974 936809.7177 900957.8471 841035.0294 903891.5066 988664.0547 960707.6448 5707.546632 6609.78472 2002.018206 4159.055607 5525.080015 4896.95336 6436.268644 15473.13657 1286.304469 1798.290083 1619.923611 746.7117214
5-(Methylthio)-2,3-dioxopentyl phosphate 65354.63044 76235.90631 65114.5497 67913.54426 73160.93677 63024.35273 85754.63974 82922.03415 94956.43769 83567.29821 89611.33156 83647.34989 65903.6868 63357.58735 63472.88883 64493.85598 60355.16242 62904.13547 50137.9156 49152.72921 52388.96834 50310.70744 48593.67606 51243.84994
Salvianolic acid C 2651.873958 3177.818429 2730.919772 2245.366777 2236.680825 3151.970906 1837.385557 1940.079441 2973.146643 1460.03154 2647.48387 2708.262873 2205.929401 1151.20632 536.9819683 1426.63511 1464.224552 1474.795467 1617.857884 1857.288258 1779.297015 1853.196575 1952.237829 1553.698049
2,7-Dideacetoxytaxinine J 364.0804903 309.8346785 288.7629993 445.7889105 324.517898 276.670336 194.193846 135.8727164 567.7371039 545.9256636 353.0466102 65.17050145 7386.333938 10111.17617 8384.116037 10957.71877 9997.629818 8814.739637 8162.286201 8460.966095 8995.408451 7937.553627 9200.549245 9186.545522
1'-O-Galloylsucrose 124144.3219 130216.7238 133404.5279 132654.6729 118175.7718 130821.7916 92839.91214 91372.09736 85822.11811 92524.5242 95298.47613 91098.91659 81313.32851 3751.271844 77892.64186 83822.68043 989.5074566 2725.337916 2104.294041 712.4614031 2544.32019 5830.349654 1691.128023 270.5647128
6'-O-Galloylsucrose 1722.455958 977.8461756 2167.318049 2517.110335 325.0846178 14942.98759 31.62058778 90.88671609 20957.03806 382.5847865 88.71832964 279.9624769 7655.08065 11467.20961 17069.22783 9020.188641 11699.68787 24911.83676 27177.89175 27985.90555 29693.79005 38733.978 33332.56398 32395.74984
Pseudouridine 5'-phosphate 775.7553268 1393.333223 634.9865693 1056.368317 925.3334556 237.5382101 1144.585235 1116.45058 1063.264223 1228.81145 952.4362658 1201.276388 729.7411657 336.2372423 271.0341401 422.6029214 871.8027347 287.433524 210.2862847 434.7904099 267.3192306 151.5205186 445.9669981 242.6925097
Lys-Ser-Glu 2147.777193 794.2794044 863.0975746 232.3749419 2194.044359 614.6664271 696.5144772 3239.872072 310.8355308 3296.045152 3813.706537 303.8438566 67374.0355 57297.89794 55164.18033 55844.33005 55287.63504 54310.02454 44385.90344 51299.46634 48379.34757 53091.71772 47962.77918 56667.43233
Urdamycin G 252.9664197 105.1227684 152.9391506 123.1435552 364.2995788 184.0812721 522.0778375 484.2083616 259.9135817 296.547356 201.5819583 262.950753 9275.168716 7454.973871 5335.207006 5036.270609 4672.904063 5641.619758 3262.300487 2625.826409 4302.223791 3350.071925 2812.290051 5416.405594
Methoxyadiantifoline 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 794.9148695 665.3331875 279.3301232 65446.75698 694.7360275 2773.136958 3107.949856 4004.379469 3856.130769 4998.436137 5012.859693
Verlukast 52240.81 70675.22847 36978.06499 67658.52403 48331.60326 51496.18299 32576.68954 29851.85833 17474.39041 26195.60172 35333.40895 31054.75622 7342.068383 8321.239493 7567.817672 9918.100891 8402.043384 10553.15945 2207.462873 2921.331025 1401.34035 1407.090832 2768.736987 1795.60712
4'-Methoxybenzophenone-2-carboxylic acid 145722.922 145175.8121 143194.9472 149581.9754 132805.3486 140726.8661 107822.1604 108428.1874 103244.2901 101039.627 97254.43364 54949.11926 59203.42738 60905.25253 37861.61351 47359.15398 61155.37678 60141.62116 38796.1195 9532.766579 31835.4393 31105.26902 41579.21426 28969.0658
Ibuprofen Acyl Glucuronide 387.4558938 575.8133513 205.610462 512.6172448 414.7401398 484.974441 380.9400628 374.2164348 505.398228 434.8085311 634.0754699 854.1239927 7961.018 7316.614281 7368.185447 6998.730456 7495.184191 5843.803737 7087.805775 7725.636337 7323.980812 8162.610504 8292.136152 7540.391925
Sulfadicramide 64.49861507 986.1033753 1370.89279 1193.337058 1112.972743 129.6088817 401.3668413 74.09795876 873.1086226 930.781373 587.8640995 753.8780094 9533.068912 4919.262596 7271.245056 6779.721266 8435.493459 8359.870832 7976.718864 4172.412843 9427.163227 7528.86279 8555.674801 6777.442446
Regelidine 47316.50887 37694.47482 36180.71945 44234.17532 37517.55252 45798.78861 19074.54692 17725.36137 20071.94872 21947.4435 19969.948 20028.41965 27420.22313 30105.04699 30004.96215 28963.39598 35491.45512 25699.36802 10283.36076 8996.411758 8158.05519 5199.328029 6706.341574 7481.395162
1-Cycloheptyl-3-cyclohexylurea 4901.157609 5130.857508 5004.049338 4277.837682 2844.670373 4973.788597 2112.415564 2366.317631 1175.173168 2147.198724 3070.053645 2453.3589 24151.96074 20530.92986 22237.33231 24324.25396 20539.04875 23957.37346 34308.15246 34851.37943 38473.58803 33730.17164 38754.22465 36949.58638
5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside 3914.281035 1712.579079 3679.843324 4541.514213 996.404 5596.139701 6111.293884 363.9493802 5702.322106 5518.063461 3975.430082 550.0943878 59128.17841 73066.69377 44530.42292 56960.66927 29968.06483 56660.14884 172001.1193 155387.0937 171209.5381 168421.7443 158885.5387 167949.7068
Sambacolignoside 73849.29219 72023.8049 66725.48852 74648.90865 61379.8062 66077.51757 42343.42515 44451.61943 44415.13864 46608.10772 46669.97973 50295.45623 1668.119659 2002.377031 1142.868274 822.3013592 219.9257195 185.5759251 872.8365743 125.6486875 1157.20593 963.6152694 431.5535784 598.4555075
3alpha-hydroxy-3,5-dihydromonacolin L acid 166.6310203 56.46826071 179.8861835 67.58720634 149.1012584 181.073677 397.851267 190.9514507 247.3084978 405.0071602 322.9253383 349.323437 2657.468179 4242.362116 3660.069852 3452.753638 2884.661259 3504.206542 3806.597117 3974.622208 5112.016911 3762.249257 4322.82893 4458.908949
Clopidogrel 15066.44114 13546.90439 14376.72066 14882.14368 13463.01546 13964.95452 13720.11058 13930.18482 13961.36213 12892.35152 13725.20508 14075.29594 1255.177425 474.7779936 1134.404918 247.7933903 1378.195957 1036.526759 1193.882045 294.6694296 2447.583171 1688.426538 1375.879657 1027.680027
(+)-Zeylenol 6578.838377 10366.14503 41891.53085 9898.463937 9671.006374 8248.434295 1120.949587 341.1167954 6061.816399 110.334008 457.2723362 476.8858722 166628.5936 158343.5683 158384.7157 152860.9602 154518.9122 159072.9094 53180.96553 47213.07727 54805.28601 45911.36692 48415.19272 52933.93089
Dansyl-Tyr-Val-Gly 2804.504091 4056.250436 3844.129012 3821.855076 3722.937424 3030.557551 2442.90014 2660.280551 2320.578426 2640.223319 2465.986834 2509.345458 140.8452396 69.51607831 312.1722714 290.5137179 319.9799926 147.9811871 226.8340664 303.4830756 143.1820696 162.2462633 206.3437491 84.04158064
4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid 56928.74836 48543.95371 48061.07494 45397.21532 49645.5655 44454.28687 29610.66673 31101.15171 35867.20401 35061.61274 28975.77874 30538.74979 11659.66556 12678.01534 11258.35951 11386.1344 6635.681102 11532.94309 3870.898135 2684.213296 3500.822949 3237.760558 3653.27457 3434.679158
Nomilinic acid 17-glucoside 1651.991131 1102.690725 1851.277162 1382.349129 604.7870614 1477.265573 575.9094818 947.4585645 557.8294586 414.842136 606.9010692 339.5416185 11168.04272 12462.77057 15172.17932 11447.83627 11274.9226 15084.93524 12265.98227 13969.98524 14868.67497 14409.08486 15176.20709 13986.59002
Biphenyl-2,3-diol 1470386.794 1569634.257 1333041.028 1430382.685 1368431.168 1392220.586 1588102.598 1286993.21 1375735.174 1285605.709 1229115.112 1455682.385 41877.25865 30684.12023 18365.39991 25631.01838 25143.69975 53071.23014 23209.69636 10667.75626 21746.52726 25296.85614 18677.10996 20445.27488
Mosapride citrate 25885.45705 23407.88627 148.889597 26159.69531 25250.50674 110.5744418 151.1247638 19260.44164 29.06628396 106.6572345 241.4735334 3357.572036 213379.1668 226956.7132 215584.0729 752359.6664 237933.6517 226915.7309 97341.47578 99413.41249 113773.2701 100226.918 105705.6023 359422.7363
L-Gulonolactone 78.07170293 56.38282446 91.99932626 161.848122 100.5749161 117.90402 164.8955896 84.80448854 159.0410807 185.8394189 62.65501684 165.0015796 784.786944 828.0562795 819.2681661 1031.685952 1460.847895 577.7551639 1411.303111 989.4450294 1761.435337 1020.840827 1253.996278 1693.083638
NCGC00384912-01_C38H61NO9_(3beta,9xi,16alpha)-3-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 1557.450372 815.0144139 1630.883559 1141.774467 374.7895618 1062.874569 3924.05467 4997.851037 4127.793701 3919.256074 3160.489754 3616.745116
4-Chloro-5,6,7,8-tetrahydroquinazoline 779.7811994 3401.784123 5311.823571 891.5982611 4684.401459 1318.954321 2607.476757 3490.130303 330.8821666 384.3679959 577.6863989 15452.17005 45122.65529 46399.6999 41997.56378 42613.35498 55813.57279 46051.75275 67251.45099 66982.15571 67455.84211 64539.95241 80240.83436 71440.26562
Danofloxacin 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 795.7283023 1791.024036 1222.243816 1363.625992 683.425782 1031.018863 4072.194691 4434.423184 3746.520287 4800.889201 3878.121375 2845.038185
Dalfopristin 308.8950698 417.7088671 216.7849012 376.5064764 226.0715003 195.1208008 484.0563766 411.833468 327.8246483 285.6554019 318.358416 373.6816708 146.9631013 407.6964193 299.0891853 318.6837958 290.3547421 229.3669614 2667.576858 2385.122502 2713.96914 2889.803252 2746.481855 2844.713575
1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran 183.8004566 537.9495305 78.09016589 87.20018359 2904.919749 412.8621893 158.2038321 393.2880771 399.5587798 74.90806862 106.1437025 508.7584316 12190.3151 13767.25516 13306.79341 12390.3106 12563.88471 12858.33322 4844.918397 5196.284032 3469.190803 5896.433101 3130.521612 8453.47364
1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran 2069.500024 3204.35549 2034.912247 2388.013342 1709.900221 2097.88903 10657.46168 10412.4937 11301.06991 9361.027752 9758.851239 8645.691242 959.1899561 409.8059033 296.6020813 322.892112 674.5504733 131.9285937 286.8645786 106.8329927 322.7366293 143.139977 139.3567219 132.5956674
Joro spider toxin 14528.16097 108.1814334 555.1406439 1926.372246 1260.143119 2254.471752 3288.83696 5748.058806 2779.775743 3494.079657 2124.737001 3836.329791 3320.849113 98.40001974 1062.683684 3563.122246 2106.025621 2769.516768 3096.314089 4700.991758 7871.843978 3608.243085 6628.95759 3055.265928
FFA(18:1) 4208.120137 4024.820835 4716.551199 4520.640793 4697.254614 4276.345368 4744.501577 3941.212813 4049.336161 4419.793712 4921.094848 4843.234769 4355.839821 4272.810645 3957.842858 4568.583917 4163.009787 3082.46914 3643.034743 3430.491009 3829.223329 3916.572213 3473.369329 3708.543861
gamma-Glutamylglutamate 62758.17589 65065.04955 65291.5337 66580.03862 58791.92236 63448.16699 37822.99336 36736.55259 34241.17763 36699.28769 36499.87524 33816.503 6935.161767 6427.020274 4505.675107 5715.648099 5214.245409 5957.457747 2072.19056 1221.797883 1940.572467 1888.024918 1570.435137 1917.191632
alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- 294.6652087 436.7413113 210.4315867 140.2504808 140.7694047 205.1048088 179.3999491 196.9215732 210.0388308 199.4672441 311.9909705 251.3282039 2062.928851 1724.485286 2207.663331 2240.227799 1741.62647 1907.774527 4238.100603 3570.728918 4095.275599 3862.473926 3663.570092 3767.397917
Amlodipine besylate 332.2367471 280.7058273 133.4639049 268.2143435 19.19744796 153.0295088 145.2208018 40.78305242 534.4970874 199.5978648 148.2517934 127.2822601 1792.068191 605.2242635 1182.979795 1301.841436 972.9997839 1412.709255 4633.105458 4921.200718 5380.90423 4159.044858 4330.656611 5072.07215
Isorhamnetin-3-O-rutinoside-4'-O-glucoside 16738.63984 14943.25857 16309.58255 15636.75953 14835.09094 15626.10152 17492.92533 16941.42075 16072.00576 18804.06414 20797.42949 18838.60947 1621.177154 786.2412364 1229.709277 1564.391868 1552.571547 1152.762101 1968.773304 390.3876818 1167.997802 2500.097721 674.6184222 1627.467994
Lestaurtinib 2246.932298 3856.81585 1600.258345 1187.766181 733.9788389 1909.520471 3528.574243 4465.483669 5637.512205 3790.614689 4402.606623 3306.409421 194296.6161 41487.90126 40851.7054 43507.86476 59717.32769 199361.7164 4394.175964 5876.953963 6690.086772 7254.20546 6282.515549 6815.733464
N-ethylene glycol neuraminic acid 298008.9975 260783.5531 273706.5867 289760.2007 247149.8608 290671.9442 275048.3919 334382.8785 261856.4108 329578.1144 329268.7537 320368.111 219341.7025 206976.6609 262932.1892 228337.914 257128.8602 233882.2887 826440.287 751381.5483 787860.1338 815039.4846 751589.7898 845259.3522
Pantoic acid 334.4094148 260.3121013 457.3087235 460.8367029 316.2779796 352.1188239 589.9900351 1028.461263 1083.917624 496.7098003 916.8772963 985.4481706 2813.265347 2158.909505 2618.666558 2652.302936 2748.033018 3227.850001 1328.043349 1149.953942 1311.434077 1237.174967 615.7586706 1404.609999
Pioglitazone 7394.795247 8326.619291 8685.672617 5248.800299 7846.522049 7995.297924 2357.792214 4498.061858 3477.165991 2658.229833 1282.216551 1124.438216 322.6818309 773.057284 88.19161887 212.2103125 781.8330497 500.1209625 26.98584851 476.7365681 578.5535217 435.4590239 239.5418242 442.7263635
Sebacic acid 205.8317199 347.2750973 438.3538572 332.0247256 268.4379854 499.419794 116.0456875 164.9601726 26.93576695 262.5312094 62.44825888 80.37661607 21505.29083 24516.53892 20527.58457 24052.01487 21095.68091 22034.67059 57300.16886 53467.41346 57090.07833 55824.46077 52950.70212 53563.74127
Pimelic acid 2838.223421 2027.348171 2115.827022 2245.017783 2990.244139 2664.348767 122.8898638 546.8704809 75.3334886 1135.066032 1230.142678 506.3345826 26333.47239 23661.92755 23921.89937 23761.10136 24761.16791 22235.31474 7233.39772 7858.956798 8377.28514 6656.723738 8075.811029 7886.39092
Yamogenin 3-O-neohesperidoside 185.1948335 267.5358389 219.8690445 423.5520001 222.3884983 154.2150604 118.3805096 220.6949779 195.646992 361.8524429 394.9168332 455.4587382 8449.40945 8620.738639 11376.91406 8720.717458 8587.17151 8323.893973 4798.485154 4902.041946 5246.411968 4822.303392 5271.510332 5364.177196
Campesteryl brassidate 108.8238002 60.25675021 47.11960194 83.49633736 73.49827011 132.7589146 1439.96127 1516.155894 1459.434239 1334.350284 1576.814437 1281.521649 43.05766622 104.6647727 65.04689217 14.02732829 31.19977998 22.82225453 214.2245436 172.176751 190.8353183 186.7492155 147.2520493 120.1507689
(5S,6R,7E,9E,11Z,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid 1107.96843 569.1620897 1331.465512 1201.766762 83.37551863 1357.51145 491.9102945 1325.844175 1138.886862 1367.373866 1495.432996 1276.026077 21269.19732 21067.35637 22428.15137 21362.28179 20532.35799 21068.51954 136294.1839 125645.3685 135251.0288 132031.5802 128223.9236 135911.5495
Hedamycin 197.4291284 495.6938596 835.3963189 507.3100323 123.9822191 192.5844815 4040.610013 304.98732 34.2674428 408.4342415 3974.92421 2359.919632 5020.649994 3043.109694 4142.675536 3106.119972 3363.846214 3024.697832 7757.564836 9057.090733 8397.71719 8513.154502 7941.21328 7415.703371
Meclozine dihydrochloride 7317.426902 37999.86435 15698.43713 20047.93878 18335.60264 14875.60221 26059.0168 20426.31429 16565.33921 14852.39098 18546.43704 8176.806755 10068.59745 9585.101324 11718.67198 8370.606238 12339.8056 11051.81194 3359.743216 5619.935207 4453.712424 4018.588862 996.3100354 1445.300348
Selfotel 11507.70612 10297.68715 9367.091354 10735.64944 9805.220246 10366.12884 5423.535711 8976.170368 6068.21611 6861.83786 6944.107002 9193.173614 48574.65341 52787.1451 51626.17715 46996.44715 45629.28812 48976.47485 10386.07601 14578.22245 11375.41313 12611.62537 11158.33148 11708.29724
Haemocorin 7504.673576 5181.39525 566.5485158 4271.210467 636.8115397 5478.512342 6967.697626 30435.50905 3294.970922 6306.484411 7513.079592 2670.685861 58.96072225 33.28597685 44.30586805 17.38147644 26.96224012 8.520235863 10.90603694 405.2835886 13.97340084 356.2540963 1.363254734 379.1970343
Glyphoside 19486.34661 13581.95836 21558.3413 21503.07166 4734.077909 20412.53429 19099.24564 13299.94039 19563.81963 18712.67724 20842.8436 20380.51896 280.2866292 41.14431656 69.52513385 14.26969585 73.72673923 480.4240083 68.04134819 12.01346916 71.57843492 63.63540542 86.49044959 75.18024436
Agnuside 403981.5607 374081.7307 404446.5833 469410.977 321071.8351 388940.2264 300036.6961 235067.086 565266.4609 554919.8698 243537.1386 238900.391 104.8766115 131.7606004 7753.830236 6587.854866 333.8930925 3794.544342 5671.798847 169.2926597 4805.457532 45.78345089 157.0481987 6683.557201
Deglucoparillin 65.22899364 62.04695406 951.4857039 693.0861115 987.3917191 13.52304284 53.6943627 905.0423691 1128.549691 1368.135366 46.53516932 969.3013205 12948.53468 15647.54129 15232.08829 11786.69525 14931.38901 14428.28004 25218.42228 25683.5038 27956.80651 20729.21303 41140.38762 35170.55017
4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one 1777.832955 461.7464968 150.4923117 5340.34841 587.0589259 4987.798988 1211.421918 3616.630442 832.8994068 5232.134372 6197.664176 202.8937393 84821.99943 94889.19405 89069.13133 86231.30661 90705.02592 93429.65609 89617.07064 85106.17455 97248.54539 94194.46783 100307.9735 96496.1061
5-Deoxymyricanone 1490.737408 1672.922725 1580.288798 1501.363481 1398.039114 1396.783288 1484.167111 820.0319755 1912.803215 1330.525476 1563.868832 2125.584816 87.47843021 87.5904075 41.13778474 39.65052336 96.29214123 129.9674541 11.84034578 33.74432919 28.50731206 8.086226997 11.0953041 22.25843134
Succinic acid 163176.821 173830.7408 150545.2966 154464.3258 156761.5511 151978.3796 89243.62952 85665.46794 79025.24681 65494.79644 80776.19371 76194.41349 425506.3922 415688.5063 399873.2806 459342.1454 428996.2634 449517.1597 509562.5682 515823.4697 541052.687 519111.9175 540739.6789 544211.5244
5-Methylcoumarin-4-cellobioside 406.8983753 164.1600047 482.4543409 484.1316465 679.836981 1156.937552 374.8009062 848.9971605 1683.251337 989.3013296 388.6747972 864.4377716 15700.79858 15679.9001 15990.84902 15515.06073 15980.78474 14972.60784 23144.30089 22772.33873 23850.54018 25180.38213 24636.95262 24852.82647
Kifunensine 640521.2154 633468.5345 642156.5334 655803.4442 597130.2117 620869.562 626253.1703 608153.4361 696523.8146 598389.8329 646805.2799 636137.42 7969.82789 5485.782762 1832.998081 7732.035474 1711.207446 3824.707217 4143.231237 633.7559402 2960.139104 4443.996745 4461.566716 3674.839539
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 5887.323935 7429.339175 8086.074052 7231.03421 7040.277875 6267.294661 4517.415151 4192.044731 4923.037658 3601.650518 3763.67912 2744.720848 356.0922418 232.2388469 150.6105332 373.3467718 575.3486188 372.0137123 174.4481071 240.0387201 168.2762817 117.7996995 133.0852636 229.9042317
1,3,4,5-tetra-O-galloylquinic acid 9649.332275 9287.771335 8770.423638 8965.566495 8074.572495 8416.475279 9558.506952 12386.62129 10861.1934 11310.07705 10712.59769 10847.22567 3752.684955 9831.538035 5116.219826 10206.20523 11020.74299 4900.168602 9679.917854 8976.182942 8202.162064 12488.29697 12263.50701 12749.43365
Ethyl 1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 21984.04984 24741.58391 26659.89166 22547.41041 24230.74776 20852.80445 11669.65286 13020.1876 12879.59048 12925.68128 10226.93334 10412.47353 1714.245181 210.290825 1572.167743 1799.870798 1742.625031 1556.864535 251.8930771 302.1208821 138.4528003 655.1102374 666.3595912 765.205865
Epigallocatechin 3-O-cinnamate 10104.18803 20263.10383 8055.612964 19197.95197 22139.08377 29102.80296 8312.166277 6942.372259 5516.926495 9930.452698 5893.935562 145.118573 58894.87521 76844.71585 55499.58705 68638.68656 64464.95291 55414.95773 20790.68061 25247.87512 20660.59 21963.403 22696.38574 26939.67648
Nordazepam 147048.5824 149674.1684 150339.9503 155448.4985 146646.6193 165329.7136 48928.14827 49064.1585 45364.97347 50560.06413 64114.27252 51167.91743 558.515062 455.1034343 533.2095234 1367.280688 868.034759 892.301261 2647.503026 2149.579437 380.3517084 222.9887086 2289.255568 1604.012068
2-Chloro-5-fluorobenzimidazole 5677.023483 4345.607296 4964.261563 4839.048637 4845.251656 4851.287961 7660.40674 6735.809056 6889.772417 6893.240929 6525.439022 6704.791667 5311.939223 4488.022885 5165.271125 4489.325593 5319.634968 4742.273465 2393.476887 3209.870814 2984.947795 3119.904537 2202.412263 2746.315159
Heptyl 4-hydroxybenzoate 3288675.208 3290793.013 3549.359484 3236499.265 3052774.93 3175599.613 3504266.655 3554009.697 3467481.698 3521886.765 3700085.905 3514042.574 2618291.119 2684178.244 1258.50346 6706.18613 5562.089156 2671114.817 402029.318 386108.0439 404659.7652 415852.6879 437566.2176 399688.2998
12-KETE 43484.33465 22903.14986 40474.16806 45142.90001 40000.74546 35960.94377 8656.319252 38077.4305 51637.42472 50003.14595 41829.4285 54851.42554 27482.41516 28131.61279 35594.19765 32131.11508 28036.21599 25014.01292 4829.062145 17132.3577 9406.974687 46132.28626 23355.75054 7999.23561
1-Eicosanoyl-sn-glycero-3-phosphocholine 49023.08791 44308.94657 45319.12609 60249.33961 48399.68359 50598.05762 58528.85282 60531.22996 58079.48263 58500.73704 81840.61695 75365.83739 4551.767173 66289.74929 19553.97716 22946.03901 35714.7904 30983.4378 21175.5211 9427.665715 37325.4554 28250.08142 26346.218 35113.90177
Haploside C 3965.906668 3198.826512 2837.203282 3245.449521 3567.661999 2387.303726 1803.60181 49.54975337 2902.262774 2391.640874 3175.207403 2207.385049 6813.243415 9321.227819 8871.224099 8348.336054 9973.59545 8726.192499 9395.501758 8830.277743 11790.47464 7576.321279 9890.25133 8893.246801
3,6-Dihydroxyflavone 94734.97088 116604.8041 91791.64594 90377.46029 123726.3084 99195.6015 76865.3821 76617.7264 79606.13879 80129.32173 81380.45667 77491.12497 158351.0971 166130.4768 155275.5759 170361.3094 161613.6789 139243.7585 153744.2849 153733.6492 159307.4839 150003.2371 154776.9173 148816.148
Fumagillol 4867.611664 5166.150938 475.9526333 4275.537453 4189.725378 4356.837955 6727.872983 6001.637536 7449.582483 6063.728555 8032.930257 6921.903803 9582.793947 9419.984422 9276.90479 9549.141301 9319.783822 9238.131908 12505.35214 14232.84172 15463.49662 14278.5789 13675.49842 16485.11807
Succinic anhydride 6574.40678 7271.196045 5895.261894 6943.217527 6273.685996 6252.846628 4989.607358 5355.864945 4321.489257 4828.842383 5961.82405 4120.343451 16313.8988 15516.67289 15674.08655 18383.92436 16704.48774 17597.03994 18840.74574 19483.45118 19929.50911 19250.85506 19450.68008 20786.49257
Flufenprox 292259.6352 272012.0609 274179.3382 287758.2779 280015.8899 264492.8154 293764.1374 290404.698 312019.1824 290113.0189 294244.7013 308833.5506 48828.95806 44194.34845 42809.62584 40707.77602 20578.47269 45849.52188 48271.87294 22785.48696 45269.58964 40615.83214 33647.32117 58338.87647
Homoeriodictyol (+/-)- 39810.76593 42403.99319 43803.3997 45664.1066 35282.65588 38776.54208 23049.11287 23572.23786 21904.45468 22277.61054 26507.60739 21959.0546 522.2298491 283.4065186 110.8252447 59.75441442 70.9225991 224.4481737 374.3092371 170.2467278 382.5051884 185.6620184 256.015763 722.3537515
Arsonoacetic acid 11672.93586 6472.046627 14259.178 8005.002107 10835.07329 9150.096193 1627.686366 1218.809185 3705.687447 1835.233156 3380.921854 940.0748259 143894.8553 129594.0928 101053.7364 106313.9374 220592.2022 99421.47982 120507.0452 143828.1648 154007.3389 154165.4796 115581.0121 108443.1071
Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside 1334.713843 1337.868964 1594.432697 5397.211211 476.8839957 143.7611199 331.8558494 678.258568 361.936581 1383.158358 1023.432506 782.8885376 3347.657432 962.3099464 651.8865123 3914.472509 1763.766583 1265.67318 9167.303799 5152.944905 4173.667288 10546.84327 9902.496313 12981.98976
Procyanidin B-5 3,3'-di-O-gallate 14898921.38 14598900.05 14752710.71 14712855.65 14392377.51 14030650.87 20157823.43 19905210.32 20152575.28 19763617.84 19849251.3 19610068.48 18250.55985 24289.16431 4977.360934 386.3825528 15696.62208 15145.32824 3196.639612 1856.697572 1603.94535 4522.254344 739217.7345 819151.8952
coenzyme alpha-F420-3 116536.9958 110939.5197 115560.0919 112053.755 141461.7837 113185.7931 103731.4582 135103.8251 102633.6962 102628.5959 118670.0605 115467.6883 102.9661342 4243.032134 251.1975703 292.9893969 53.93460851 751.9211489 2811.16858 433.5092173 509.084786 2599.674091 148.7951522 182.2020909
Nomilin 2670.180201 2728.715573 3372.703329 2800.09406 3074.90604 3478.749694 4347.461795 3864.71686 4119.157851 3758.692923 4149.254439 4368.851759 16.63626504 201.6352235 46.51985624 406.4947864 51.75760586 26.37630608 165.9416685 227.2309055 283.7721538 199.4692662 358.8196993 27.72708237
Butyl 4-[(chloroacetyl)amino]benzoate 307.7282319 150.522061 162.0115521 1392.701516 95.04577621 134.1967425 268.8301663 289.9952349 216.0671649 175.2820276 134.9817065 122.5198652 8288.267654 8962.241445 7874.427608 9968.240916 12113.02697 9015.237737 5730.387182 3817.367218 5666.247875 5526.462791 5465.167503 5554.598805
L-Ascorbic acid monostearate 651.41003 686.2459755 1346.528979 1478.964636 872.7399072 1798.762291 1611.4228 2231.743227 830.0599434 1509.336815 1319.749154 1306.645097 6246.281165 5778.529369 7303.410951 6558.317663 6188.227219 5732.47278 12962.5881 12608.17867 13633.60461 12971.93997 12835.19607 13462.39665
Palmatine chloride 546.3825227 171.8055837 89.25676491 361.1538785 328.4344259 695.6729959 277.7497404 69.83475842 180.144938 117.7917165 580.6702972 358.1901575 17770.15363 17276.18632 17586.46949 18735.65835 18000.98274 17508.45223 16574.87895 17941.69113 15490.10998 18756.87173 17396.12065 16587.71411
Palmatoside G 1330.761801 154.338274 906.4952637 378.424559 650.7644229 522.8373569 631.0359457 343.6497812 532.8880496 613.9631737 234.4355764 375.3821252 9640.543141 9288.887344 11279.37143 10755.26323 9321.783405 12807.97193 3555.701641 668.6264592 3758.444091 3329.913213 2223.011529 2234.696252
6-Glucopyranosylprocyanidin B1 7182.426009 8481.502415 7529.715401 4388.436129 7314.210419 7635.805813 11236.88984 10533.3604 11240.32705 11575.06919 11846.26359 11833.95544 2256.40212 904.8349203 2046.202238 1450.148636 1212.868 1347.920789 91.37456924 302.2973221 293.0340607 375.5250231 414.3605295 332.4522643
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid 10719.43052 11221.04828 10615.11173 11221.72249 10830.23265 10415.80319 11519.59706 10060.94115 11396.32049 9549.163695 10548.58787 10560.95022 599.6338391 435.3603942 399.6909334 523.2202048 323.4047238 535.6804072 960.6900968 1254.13208 1268.060811 758.2432547 1363.251591 1376.52266
Aloeresin D 45254.59435 23861.88517 11518.20118 24329.33813 20627.27811 24197.1989 25245.22473 22410.3352 9645.088721 10702.94537 11439.79801 61986.34662 149.1518115 15.8025861 36.46764819 72.57056079 55.18741972 34.6441869 1061.726687 36.31931143 1979.991437 1457.280729 10.07652859 28.57373148
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 5661.75922 6013.089246 6900.022449 6065.448932 6385.714752 5985.494741 3961.388422 7522.672625 7390.294869 7200.404575 6107.923392 7117.412124 4597.310887 3748.369705 5655.886153 2006.721229 3968.586674 4012.327762 7713.678486 8684.906309 10511.60738 9471.316007 9795.980568 9702.920178
4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] 10.78054717 24.0919481 49.52651286 37.88893524 33.15826162 20.92460208 3.345402085 8.731304449 6.773385378 6.204766683 15.6406781 34.64227883 6.795047525 5.969124309 18.24324877 20.41210909 5.170967158 9.297637791 0.19921172 8.705283569 0.401478382 3.084095544 0.416226112 0.445966551
Tyrosyltyrosine 9481.12491 9668.564495 12683.77889 9190.944636 14590.8431 10421.34928 7222.511322 7129.99766 7262.118408 6794.311569 6845.966708 6600.879627 33.98344861 113.1838173 309.0642354 19.49423611 116.9655081 22.12861221 5.362786362 62.43423467 432.5917406 37.14454335 34.77343285 40.78542571
Kuwanon Z 3289.779826 3641.617334 2747.00305 2679.172803 2602.769936 2638.912252 1237.301831 4307.434547 4334.723892 3795.206781 3003.167379 3920.273724 85.02992673 135.8157572 135.525552 13.05914102 67.60668927 119.4684291 382.6825003 71.97066717 44.40140566 84.73987482 373.3500696 56.15481301
6''-Carboxyraffinose 1904860.88 8447.774635 3140.538531 1874270.821 1769431.118 1839367.769 2193601.578 30052.68142 2008053.586 2115338.645 2143213.907 2038958.757 70941.64501 1554725.258 208061.2442 251953.3274 46194.83057 345654.7509 1159052.742 1124613.777 30613.0266 1178101.908 1171033.737 65570.79251
Dethiosecoemestrin 5029.941206 4960.173065 5862.856958 5763.777709 7300.296515 5496.54905 10680.75743 6109.520812 6046.825701 12814.35836 6777.044748 9343.000547 2271.014892 1769.118408 1232.874604 1206.044601 1645.396044 2172.437492 3468.617522 1627.993612 2894.055175 1914.96942 5086.600641 3055.27026
Plantamajoside 108100.5358 105732.9429 102129.8229 99314.43444 96012.64937 102232.3391 224331.9423 214868.3653 211668.8122 202969.0174 224476.5214 217155.0992 3855.693104 1696.899264 3165.872852 1805.648789 2112.418619 1611.934569 16007.79946 13752.4504 15215.69506 14708.3457 14240.50177 13618.60327
Quinacridone 156175.6003 159569.6237 151833.6491 188497.0002 151726.881 165502.9571 228658.2498 236326.6333 181585.3193 263636.476 257896.5438 234520.6739 24086.29531 22417.42824 23417.4311 23888.87868 22758.82045 22577.21966 3052.238825 8830.835169 9574.211442 10937.71219 3384.588192 10745.70644
Difethialone 168.3944964 4082.8283 4826.940847 4802.459415 5227.099691 4185.452251 4020.555712 4109.809975 3785.248564 59.80485294 50.84138432 3478.068823 47446.25924 47454.03738 43831.24547 44585.27393 41260.07129 42007.80377 71078.59135 69818.4594 70455.24705 62139.43635 66446.74258 61126.06773
Pramipexole 85.48686207 333.0726288 156.1918769 235.9148811 329.8367851 100.9085377 556.9199136 645.4885922 383.2624363 213.4588805 377.6399627 282.2204664 118.397624 408.2744615 164.0140814 103.136851 691.3187287 133.6324427 2131.03986 1970.258572 4432.332428 2109.352588 2103.449854 2088.888355
Bromperidol 6501.838664 4782.372581 6652.429653 5623.603471 3460.775403 5655.360455 5448.196474 8217.549109 8321.779237 8439.316244 10635.8354 5760.682924 19314.20327 20476.31813 22445.62432 19053.95872 19797.9154 22293.789 10468.34344 10269.46555 8971.509878 11737.31079 12942.69158 10628.86238
Urdamycin B 693.7517922 437.7937431 323.2233426 276.6052801 383.6631392 443.423252 417.8216897 465.1047824 216.4124062 114.3126816 251.7701527 304.3601991 3141.637663 4529.675817 5379.442005 5653.121903 3776.453183 5081.674054 7855.763713 17381.23482 14675.98459 15069.14787 13571.25428 14530.99125
Dihydrokaempferol 6319.060751 5833.268584 106.0732921 4806.469366 6086.55833 226.2560684 7437.46503 7868.426431 11396.3766 19252.85544 13325.95132 8890.035539 10344.0281 14792.87278 14219.37499 13993.22963 9046.14825 15009.55107 16492.0745 12271.72614 16287.3673 14822.93473 16051.49477 13890.58801
2-chloro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}acetamide 163.6374477 961.776775 102.0434038 69.83194762 160.0719498 14.26141898 665.9926042 210.2339538 565.1267728 544.9572332 456.2354268 516.7139238 15381.39501 12217.91151 12149.33325 13932.84219 10958.60382 18963.90569 26617.747 12377.59401 13541.77422 5944.671386 10725.28911 8748.205472
Delphinidin 3,5-di(6-O-malonylglucoside) 1881.69914 758.5636264 1419.287608 469.5132883 242.1790324 515.6041783 1474.506669 96.93653367 1742.276156 182.8357522 2109.64637 2726.375278 64066.0781 51222.74746 45947.58506 37883.47861 44957.68909 38414.01677 49901.62132 60982.00034 41989.24393 50673.92292 46152.15322 60382.70975
Atipamezole hydrochloride 51561.32457 40167.35875 41828.17491 42495.55137 41438.42335 40322.90494 29058.86581 29996.36501 26563.77549 28184.78976 28854.06374 28891.28928 446.26353 287.9726445 1312.652548 739.4770839 552.0840007 777.5915654 812.6402074 752.7450466 916.7769221 190.3700917 1105.955601 448.2425439
8-Hydroxydemethylclomipramine 720.1760713 1175.098933 1729.379824 1057.234264 350.1744512 1613.828575 2076.861393 4109.373094 2221.969694 3375.960746 3577.457874 4207.539362 3895.494708 5628.185091 4454.385171 5623.738186 2126.536305 3208.253458 2983.829636 3642.115315 1815.834773 3652.737369 4424.763166 5168.622033
Flazasulfuron 317.2781175 486.8259165 260.2798 312.0539797 357.6029214 132.0962812 319.1950449 465.1768194 953.3626169 287.2361744 462.5685199 98.80356985 9522.113078 8340.978011 7103.224323 6671.681293 4949.432396 7693.803089 2016.73105 2585.70627 2219.520549 2003.862562 2827.409612 2397.264054
2-Amino-5-[[amino-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]methylidene]amino]pentanoic acid 204.4869621 57.26976274 145.4283458 100.1886612 161.8044114 170.8704135 194.2807835 95.49462481 300.1934427 257.6034277 234.2718001 311.1051603 3949.102136 2637.14569 3808.560491 3023.126364 4039.008349 3399.137735 824.2205164 102.2000042 510.5977052 903.9289128 217.2312651 763.2845354
Proanthocyanidin A1 1075.036635 421.3901301 2038.137331 9945.48666 8848.974429 1590.122541 1663.304056 506.8481093 114.7253522 659.0936232 302.6136872 1120.329365 275000.2564 288289.6939 254148.0993 250903.4195 242300.5034 239202.5917 223576.1414 218216.0004 221703.4461 228092.8727 226337.6099 231069.3998
Moexipril 895.0960922 1221.720097 639.2433276 1698.548423 885.9331022 1895.797869 6766.170194 4525.71701 4560.260211 3723.34644 4589.379297 2768.836658 5053.86591 1061.331216 1834.482588 2674.328004 1305.981098 3916.66982 5463.75735 3229.822338 3513.426532 5779.429285 6157.72695 3329.623794
5-(Hydroxymethyl)-2(5H)-furanone 9854.477203 10139.51903 10033.69404 10109.40694 9497.103028 10640.82803 7938.966601 8956.666891 9058.472079 9216.710407 9651.929595 8999.413506 6114.067114 5494.398741 5625.489848 5667.358623 4408.021951 5343.197876 4469.442639 3853.032694 2142.278895 3558.595824 4450.778006 4152.170989
4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose 172.8311017 336.2990413 648.1210669 396.3150939 375.8524736 596.0802683 1841.027136 1544.310684 1731.354558 1494.04981 1137.551694 2143.330127 17188.44575 15755.21907 16777.51123 13069.78597 14655.0072 16681.80704 1833.671852 1831.691477 1959.933774 1825.68596 1806.908992 2171.652157
Tepoxalin 4234.571557 3371.794144 6127.835099 2327.083087 3334.178924 3871.532921 5360.308085 6248.245905 5975.384191 6109.431662 5630.967276 5729.870453 1091.9366 1555.792848 665.614933 578.544898 353.9731486 364.4693678 355.9045578 374.9357033 598.0674428 303.516665 515.0398657 294.1515798
Salidroside 18673.98027 17930.39941 17371.21368 18358.13068 17370.69166 17018.73695 19323.92135 19716.1688 19543.00878 19301.86591 19840.82407 19221.18337 90575.75323 87609.73759 87621.4632 90087.79319 90482.49944 90221.97672 26169.43755 23454.87416 24916.64273 26202.80247 25641.91692 24400.5576
Flumioxazin 162892.5379 164566.6683 157084.7238 164943.3209 157450.5704 156014.8463 159613.886 188511.487 162790.7996 164943.2311 165880.9066 165690.3629 140960.9817 185306.1057 142643.2653 139042.0397 139416.1179 142365.1469 32922.00159 37267.41308 35743.63093 31292.97419 31908.58846 34952.37704
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one 7698.474309 8070.136865 8493.543074 8970.799719 9020.071563 7742.470608 16951.80325 15817.10814 21199.63597 13960.65493 14529.99149 14760.31673 22060.95438 19392.55255 23591.91302 19779.51583 22172.96143 19237.01055 23908.66456 27795.23959 22778.9771 29313.92325 29542.37254 29176.34374
3-[1-[(4-Chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid 29149.03565 48909.71755 44929.70849 26407.33694 75612.4836 24271.93467 40432.80559 21223.92964 19917.70072 19443.22821 37768.00687 18873.59782 124.7297242 160.7241712 187.065525 474.5486779 41.84328565 183.9160031 34.70537684 64.69270823 6.810665004 7.112367396 27.71327947 1510.908839
6-Glucopyranosylprocyanidin B2 20045.50437 16439.00258 19571.64176 17824.61048 18303.18431 15687.5397 5588.001721 9997.424059 4215.130934 16204.67072 3387.593997 1925.660103 15014.99432 22381.58399 25155.65009 14943.00935 29437.81231 25773.66843 60902.0349 60441.17974 50095.3946 73244.92097 55595.87924 73931.82843
6-Glucopyranosyl-(-)-epicatechin 61577.26586 80978.22115 76867.67637 78438.40678 86303.33947 100386.3486 71198.44854 112019.2378 79915.87062 89850.57567 107734.1701 86738.14132 2982.174512 8867.986251 7396.439831 4843.224238 6866.585748 12229.16375 3643.64033 8157.204496 9718.09599 6939.998552 13554.74876 7137.695553
2'-Deoxycytidine-5'-monophosphate 226574.9394 205679.7181 202939.2956 199802.6822 203498.4423 193204.8465 227363.7567 228169.7691 209177.4553 221641.9304 231548.3447 218111.3304 11821.77631 22553.17916 28668.87357 33289.68578 31488.93227 29319.56116 5634.855532 14313.3635 9448.19892 8536.265091 9699.358995 11371.74948
Chloramphenicol 3-acetate 2305.084859 1782.960615 2295.298447 3023.86108 2728.821939 1642.361065 1328.518584 1218.73883 1741.894253 799.2569405 2018.267655 1799.554734 10117.06847 11699.1496 12357.89859 12453.95769 13271.99222 13368.23253 526.8520839 617.9969381 1127.889285 602.5336699 618.5152102 630.6248298
Phenylacetic acid 4776.301331 3683.814704 4658.014883 3364.569661 3153.816245 309.7225069 1120.974543 134.4651375 1164.307565 1356.125522 3398.078706 2491.128023 452410.5395 461756.6922 462916.039 487315.9574 466517.3286 465254.3945 828611.3758 794796.0469 810599.4572 804269.5457 812733.5917 855607.4504
Dibenzyl ether 130.4932373 12.38871425 47.71141192 37.79998201 24.89270045 294.8365451 31.98918602 30.30917356 125.6512755 187.4512473 150.9705489 130.7409349 45.52112565 380.1892725 303.2635777 186.4760872 134.0283938 370.163032 2915.637212 2608.726725 2766.90971 2883.689563 2680.638923 2848.840899
trans-Stilbene 29017.92199 28140.00947 29604.90815 30337.14055 29982.89772 28445.24385 26708.90054 29982.71511 22915.67774 22732.21229 23047.46825 21447.01672 35306.42808 36096.11596 31216.41352 35327.81701 36060.3322 35731.72516 5647.411513 7449.261429 6856.067669 9430.255622 8530.252989 8492.466989
Prontosil 770.0203874 683.0933953 1035.480229 907.6905944 1133.016267 1030.886918 1423.967774 1070.452211 1567.394154 1918.053807 690.3516475 1198.001574 2952.218904 3692.612259 4655.427151 3748.995543 2032.003952 4230.28465 7196.771651 7940.128039 8282.10985 8405.607031 9709.084861 5420.204391
Mulberroside A 7245.864614 10412.59962 2152.148148 7888.770747 8193.455458 7680.462441 357.1418506 3008.438856 345.481182 692.5483745 580.5979769 904.391791 482.2544572 445.9692762 210.0970514 892.2520736 985.3237882 680.4529704 326.0098801 385.1753793 722.963821 307.6490115 177.5789649 621.4454322
4'-Cyanobenzanilide 8632.725828 6036.147883 6129.123054 5613.367896 5807.798485 6684.504746 10600.16604 13348.09254 13118.60123 9511.843325 11768.59674 9576.68008 505.0898964 282.3878756 464.080638 878.2499047 556.1701865 258.7079503 430.0445119 798.4672572 234.7542331 554.429701 685.5735941 206.5088399
Hydroxyzine pamoate 1903.452889 2421.593448 2141.293951 2365.167157 1875.563448 1768.969215 1994.79917 2261.837026 1895.750586 2402.54771 2202.202547 2201.276766 214.4717334 215.3083984 205.5530851 213.4596299 132.1009429 88.64702796 44.07096571 67.66813645 102.9447611 74.01210822 231.1212121 105.4199797
Glyburide 22922.44111 27309.17574 24229.22296 34013.54504 27895.12399 28266.35611 38642.03934 37038.54734 37775.30435 36840.95884 39595.35605 35232.85326 10470.51414 5182.364921 5810.405101 6569.346609 4683.446543 6044.960025 7496.603065 7447.924664 6889.540612 7532.601143 7544.163991 7129.910254
Naringin 72118.20375 71506.20544 75437.73956 71362.48357 68482.2699 70064.08344 26781.99374 28843.03196 26139.8615 29970.98096 25104.02236 22291.81553 12530.55734 7289.90246 6762.671483 8772.429461 9391.099897 16181.88191 6285.896984 5230.527309 5308.905797 5280.438354 5120.248745 5472.796654
[5-[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 15701.93775 15096.17443 13300.87596 15806.64026 14430.74461 14375.96831 7828.025865 4638.399065 6834.795055 8315.536833 8495.248042 7120.957331 31068.85565 25520.10292 28674.0457 22870.25478 31294.92288 28217.90725 4586.860104 999.0445704 2149.014999 6503.455764 1595.642806 6858.109511
2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-6-one 1047.105952 824.5169571 891.5277448 3490.854013 230.7782617 1378.48252 24374.31429 21451.54703 22132.57387 22465.81476 23319.22901 23850.1464 119336.6361 110631.0299 121872.2903 109622.491 105980.9119 105997.4845 193405.6859 134525.6959 136875.5241 135650.0168 124838.5123 131712.4292
Pyrrolnitrin 9587.494256 9699.037434 10024.15057 12925.53887 9968.404777 8729.33126 7439.039263 5843.872762 6723.647098 5869.622984 8007.984847 6715.354521 17879.1413 13328.289 12027.68535 13074.37049 12869.42589 12652.32098 9212.963257 9961.658386 9688.765899 8999.165018 9970.637677 9743.13264
Jaceidin 1473.92818 1289.723269 1341.352507 1419.124565 1231.010591 1262.447751 9.902566715 46.53584391 43.0247284 8.007642818 258.136493 5.963646901 32.2469072 49.52694157 73.60667571 121.3492309 162.4391949 134.05412 60.33401702 37.30148323 23.39761456 57.15959768 93.24901085 96.06288159
6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine 603.347255 555.0964026 519.6005093 460.1039235 458.7621956 541.5012737 872.6289356 1015.91103 1113.230319 760.0137264 544.7731818 851.0600105 1012.851446 1363.256271 1199.178859 1285.06043 1436.58495 1329.581912 1117.996754 838.9757048 1056.988842 1181.183683 1154.246688 1322.221356
7-Methylguanosine 5'-phosphate 1564.866383 1431.821318 412.83472 3363.149027 1208.579334 1210.805 4051.465954 4954.238458 3784.590846 4566.676904 5468.860004 2659.481146 19405.38913 18507.1203 18512.60692 16639.52813 18582.17539 17516.43871 12862.38421 12315.72892 15205.36701 13376.92462 11439.16692 14677.97001
Mulberrofuran Q 207938.7471 198059.8673 204048.1341 202345.3174 193428.8273 200169.3203 225968.2063 223528.4848 231099.0199 219942.265 236028.0131 219656.4758 11736.37522 30256.52957 23267.19072 51709.41626 30112.81715 29416.73152 9173.290422 4724.172182 7180.511206 10704.7216 14801.62408 9050.862313
6-C-Fucosylluteolin 224822.5585 244723.0531 234619.2747 240394.1951 231941.3022 232524.2746 143892.8769 146928.2276 138278.6349 143514.8046 145665.9157 140337.03 9494.615705 8309.138916 3727.542817 10874.69236 13173.54407 12157.25163 10393.57884 23128.50987 4720.059683 7749.90505 11931.1094 14142.42552
Mulberrofuran M 270851.817 264862.2918 267705.9617 273782.4015 268770.7627 252859.8513 264801.0093 172980.9397 244386.0562 195065.8085 199403.222 195110.0855 6550.367685 26920.7854 14152.30043 31564.37599 19373.2091 82000.31523 3958.060466 12103.95396 11580.63106 5731.263977 7674.311767 4843.233138
Mulberrofuran P 1638.924766 1484.850881 738.264954 3167.530643 2245.09326 1398.155818 976.9884686 1342.673585 1303.539183 1373.845011 785.5815831 456.6427455 9318.420641 10596.65052 8684.765347 11995.53343 13469.43749 12970.18534 10379.09897 10132.70229 10354.82357 9960.31612 9260.973311 11723.75971
Afzelechin-(4alpha->8)-afzelechin 252.7778246 38.38047003 56292.63492 144.8060791 541.6860534 55336.08949 42997.55202 47078.48799 124.4202594 160.2704463 43759.29211 40691.70067 1953031.305 1850739.178 1980918.823 1958083.649 1762531.391 1967117.016 1149912.422 2782063.044 3266693.793 3078227.383 3188369.164 3183273.249
4-Chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol 745.9196847 726.422389 100.5869488 603.34609 988.7075019 936.3500202 1463.39561 991.1121083 1774.349586 1517.454815 2825.990535 1893.595827 9193.542045 6453.895065 11382.60559 10144.1798 9663.214638 9651.132909 20584.15118 17972.81274 20420.35403 13609.69621 16686.16254 18039.34231
3,8'-Biapigenin 3534.199776 91792.83992 90490.42306 83161.40546 76520.59057 1062.060987 1949193.265 1720253.072 1190879.286 2066873.247 1872936.093 2017444.995 2155048.596 2045933.983 2270075.462 2003511.173 1858772.81 1883910.191 727715.6874 718301.0307 730572.4688 769551.582 722380.7636 784154.4283
3-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-4',5,7-trihydroxy-3',6-dimethoxyflavone 12518.43299 13237.98195 13875.98522 13118.61679 12083.16975 13503.22385 10498.70585 10576.42759 10205.9492 9957.23449 11449.12386 12813.19922 13425.4014 12527.33041 13532.53934 12023.71082 11330.53018 10286.28295 2542.157543 1711.578886 2526.041084 2133.805502 2191.797024 3390.919958
3',7-Dimethoxy-4',5,8-trihydroxyflavone 8-glucoside 10856.3198 1928.632479 2244.996234 856.8723427 1316.437722 802.9226738 38205.80057 50821.20442 10856.31391 59017.67131 12676.22918 10865.275 932288.8938 859242.7131 876262.2707 917569.8947 835056.7414 895061.9582 270238.7902 255444.7991 270848.4334 256461.3623 246452.3997 272193.6805
Islanditoxin 848.33139 913.2959001 1404.284578 1363.685503 1348.938218 1320.529705 4205.069794 4276.043061 3891.729355 3405.53108 4200.669816 4062.171217 255.8013506 333.0257089 319.1339595 1.497762594 164.624152 378.5207346 357.8135115 659.8704198 663.5200271 386.1517292 360.6623625 527.5547217
Radicinin 5445.805978 9071.064962 15853.16213 16316.3735 5536.757436 12372.32604 29757.4458 28946.56193 28037.5755 27240.78984 24988.02517 23780.13706 45048.71553 54193.78656 53112.01858 55154.76475 52288.32835 35676.69806 182207.606 170075.3738 188318.4892 179725.332 178345.5302 192698.9168
3,3',4'5-Tetrahydroxystilbene 10234.44929 10040.16866 7448.436333 6692.672351 11670.36528 5680.646514 12391.22928 13706.56018 9687.680959 18906.86736 19231.88856 13194.03191 87061.20846 56457.94161 27628.81161 25046.48959 51070.16005 30385.46704 52937.19394 20420.18546 51844.08903 37510.03763 54435.75053 28345.27273
Halosulfuron-methyl 894973.7889 799179.753 772773.0266 716389.8431 725029.9739 670770.1982 715086.7423 677988.5559 794825.6279 689437.1021 637468.9816 641205.9462 2240.577148 3923.629669 6497.671187 1269.734833 6422.901012 2328.533852 150.6302557 134.6793612 291.1510761 275.3320287 336.5312454 236.1107588
1-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholine 42.87237871 511.8097781 355.569668 11.73005603 18.69478423 105.7911521 65.24011073 54.0445883 86.23387918 59.42008121 67.21212102 204.4833089 2013.734031 2475.073404 2152.939106 1717.073242 2622.548795 2968.802207 3746.09352 4687.726039 3246.40113 4040.884821 4622.721821 3873.651944
Acetaminophen sulfate 72250.21756 75470.18569 78544.69978 70200.28479 76480.84338 69947.1383 87687.97149 85355.30121 89788.5477 80815.08003 78050.86442 81685.20839 16499.93389 15016.92574 19535.21057 9385.664146 15341.09475 15788.04457 2993.979778 3176.127142 5840.993575 4538.617461 4797.275587 2318.271331
5-Chloro-2-methylbenzothiazole 2416.966873 2006.393904 1767.308255 2185.799431 1005.92347 1858.901842 785.4069048 718.3455303 482.645437 502.9566147 414.7053157 776.0049068 193.1474694 879.6294606 624.6283061 437.8050471 485.6868736 204.1976319 306.324151 334.0028476 174.9544645 523.7473699 234.389248 122.6634267
Docusate 257.983056 483.4097408 1373.77616 327.3512749 409.1207197 655.4433642 161.2063464 258.1029112 364.9220975 316.8180033 75.23006835 86.4653752 1648.950076 3006.752931 2519.216797 2565.868009 2880.240756 2344.094519 3523.344219 4241.601375 3294.472275 5279.686466 4589.073184 3232.924308
Methyl 2-[(phenylsulfonyl)amino]benzoate 991.2463277 829.8768661 541.6889182 406.4022049 1512.903639 215.7072483 1143.096291 1039.802694 1046.665088 1248.567662 1228.404211 1269.229069 188.1970327 110.5954107 102.4423111 78.57555868 123.3173129 111.3612344 140.4919609 121.9427644 165.5284249 140.7134804 103.4735136 34.36525819
Pentadecanoic acid 4417.19944 3402.768023 1853.688603 2858.888915 4538.813494 3449.607658 4860.771015 5483.863744 6988.577221 4240.709897 5388.088498 5355.432407 10028.01889 7329.600482 7807.527705 8651.689085 8279.426249 6418.609815 7220.238734 5882.047113 9782.990735 10669.17875 10217.55913 9803.130764
5beta-Estrane-3alpha,17beta-diol 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 2639.535093 2655.453074 2871.246098 2016.668093 2430.034753 2823.015055 790.493052 198.0805085 903.1448207 776.4913115 2175.831566 702.6757753
Terephthalic acid 224639.0088 224163.6983 208933.212 226903.0064 281070.8778 220312.2664 185360.6398 224247.5696 164614.2303 175496.2307 191208.6526 182393.2735 15415.53388 127872.1183 117962.4004 125275.6172 14643.82276 14019.96957 35994.43709 37996.34395 40868.85694 39584.33342 40450.68867 40888.25197
{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidanium 62433.18473 57024.29225 53002.96225 54199.39827 49538.90555 48570.52474 49044.97539 45513.15825 53248.05072 46056.9813 44354.09399 41750.22425 75.48551641 928.614265 105.8558845 152.4821287 177.1822101 323.240177 30.49668415 571.7349202 32.00876356 97.53906872 114.4252571 661.8058965
{[6-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid 5036223.101 5685459.614 4738411.222 5688683.157 4382100.208 73731822.17 408537506.2 413136129.2 441342291.3 536590061.2 562892524.6 634434608.1 671751504.6 749817218.6 709416379.7 593949841.3 536384042.8 565473997.5 250394118.3 271513938.1 255566772.5 255877909.6 257153106.1 259962033.9
{[5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acid 211615.1141 187270.4315 216550.0786 225151.1441 204725.1992 223245.4333 382327.5525 398733.4683 409281.3166 386472.4839 451962.451 393034.8548 294.9074288 11699.45606 11283.63118 16573.78386 10196.4595 4421.293885 74.69069797 3863.135682 8.944954626 4709.651525 3725.443353 132.257467
{[4-(7-methoxy-2-oxo-2H-chromen-6-yl)-2-oxobut-3-en-1-yl]oxy}sulfonic acid 201713.8952 100466.5172 188590.4688 182387.7853 129382.4068 169840.0969 192984.2725 183676.0455 147516.7206 140034.1374 169035.9584 130233.4902 16776.58562 160.3264372 108.2768355 15061.21694 12893.27281 88.471219 202.1412485 170.4494283 373.9121377 92.76251661 189.0461413 116.2008984
{[4-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,5-dimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-2-yl]methoxy}sulfonic acid 1161479.448 1165213.302 766223.4705 531028.6515 1139120.903 560024.5169 543096.3276 1219359.873 1124675.556 899883.9078 1382033.717 1173696.387 421652.2762 237284.7793 339611.6007 545455.3642 378259.9847 320492.6342 487367.7215 328789.8693 387643.1595 328044.9836 289013.781 298980.9749
{[1-(4-hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-yl]oxy}sulfonic acid 78065.42834 69786.48548 69472.75588 70076.0711 67478.88901 73654.01328 54196.98703 54735.55283 55071.65086 52155.61506 40635.77226 42687.33163 3740.770501 19512.80614 10691.06565 14388.4639 22558.39479 16550.68483 18668.7081 18695.85883 19871.36409 18078.03414 13825.0676 16991.99081
{[1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)-1-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]propan-2-yl]oxy}sulfonic acid 16.78635094 22.17643987 68.69477548 20.41506971 61.88071905 42.54512658 1.820996184 3.072510624 5.223418329 3.072514313 11.39611043 45.86204687 97.10808187 82.31474663 1.960050908 144.7484011 103.8586505 89.07919888 24.49881308 44.97515189 47.16111636 56.41413697 23.52451681 0.860834686
{[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-1-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]propan-2-yl]oxy}sulfonic acid 1235.708065 1315.603655 1168.16345 1440.006252 1128.309793 1497.295111 3957.001811 4258.340608 3577.760663 4525.688749 3412.317584 4420.700594 4373.235068 4454.485613 4709.401082 5372.024604 4357.754097 3341.388982 590.3124796 1057.701174 734.6962761 816.7169579 298.5230399 11.29991232
{[1-(2,4-dihydroxyphenyl)-1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3-(3-hydroxyphenyl)propan-2-yl]oxy}sulfonic acid 5162.029799 75.76577859 95.84033151 354.5439034 3869.254536 316.6611901 53.77297608 10900.82029 10865.50866 27.86917282 15906.7788 25.2556588 405003.498 431509.6864 356731.1095 412626.2283 363337.7809 365596.1149 60706.55521 54807.93501 62801.05655 59773.65277 58847.90485 66629.28772
{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxy}sulfonic acid 95079.42042 85309.57998 90091.0324 90776.66874 91799.58664 83645.25723 183132.5495 249567.0805 187163.8271 259489.9209 140152.0424 267741.7736 8281.423549 1966.94467 12058.59248 2887.305039 9250.609912 4022.400848 3329.545169 3192.682036 5785.879016 9339.221062 3858.435119 5027.887298
{[(3E)-4-(5-hydroxy-1-oxo-1H-isochromen-3-yl)but-3-en-2-yl]oxy}sulfonic acid 553205.281 545090.1821 561192.7271 540314.3274 516451.1185 546421.8086 587148.1323 583170.624 580299.3952 583333.4892 624687.2768 572471.8635 18453.33733 471.8857152 379.2244412 15987.93938 95.67777207 20212.00208 130.0691297 14131.23829 576.2757633 13710.20425 44.87880234 98.96910105
{[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 1417.757482 2453.710049 2121.505434 1891.431806 1276.620106 1647.71571 2006.261713 1135.824322 3583.605582 3308.978932 1173.567423 872.0299244 15913.95741 18154.42405 14694.64891 18515.96658 17768.53668 16979.6319 9917.01119 5457.512581 8403.605465 11179.84206 7895.4774 7846.144414
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(prop-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid 33582.36084 35641.46288 47661.88515 37084.63881 23656.86123 48031.64066 10174.3316 13063.26311 8990.493916 13927.25724 12805.49828 12840.03959 884.5669667 4.716005364 647.9299725 12.08472168 908.0873718 8.842482544 24.75902332 534.6243483 490.7513369 3.83174162 12.37950496 315.0110866
{[(2R)-2-azaniumyl-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}propanoyl]amino}acetate 303.7423082 1377.165953 282.5865834 1233.048438 606.026004 448.2672068 605.5426772 395.1643138 260.904004 420.9256801 322.6625823 230.334851 6902.457852 6741.718866 5488.614005 2341.257402 160.3527544 5599.854087 16473.47408 11709.2161 19428.34354 13433.86454 18600.47105 22536.0489
{[(1E)-5-oxo-1,7-diphenylhept-1-en-4-yl]oxy}sulfonic acid 33.79622251 51.68406654 1849.762294 694.1262079 404.2544678 1149.553205 1222.820469 2008.78949 3091.382783 2008.880216 2275.938222 1614.309972 157.9175086 171.1895733 85.11338061 117.716549 12465.81423 67.70652208 75877.33443 87920.67552 82533.89567 82033.08479 82735.41594 86201.55673
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxidanesulfonic acid 4699.305804 4211.993617 4909.455577 5499.528428 4551.145022 5496.88554 5423.64733 6736.606519 5591.467419 5619.008878 5262.209124 5123.676992 2536.117251 2263.876264 2155.217467 2420.287998 1931.798122 1949.714824 1513.760146 1811.20336 1687.556388 1894.228074 1586.800658 1593.761379
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid 35103.74392 35605.3737 2408.288862 2437.335212 1135.967252 40667.20376 696.9856246 755.799436 32056.58674 3076.973119 1179.811327 39448.86477 710712.2817 711159.9556 688776.7174 799400.9863 704871.834 700540.3044 298331.3187 278340.778 290342.0961 294017.345 333990.1494 294307.8438
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 10371.17892 12009.12371 13096.10893 10866.80547 11094.36331 9898.049231 9509.838001 9576.858787 11443.26155 9334.395604 12337.92042 8172.548216 36367.54208 40352.04173 32375.02546 39631.67261 35719.96278 34782.45643 16158.62924 13745.69495 16177.2597 15193.79328 15058.69689 15928.22715
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid 64230.68809 47739.89055 5487.422291 34380.59586 34349.4426 39214.42375 245274.1694 175776.322 72561.59405 147484.2888 160951.0744 149142.4401 110746.2239 114616.489 67568.73235 121716.4964 61874.05593 76795.36317 6716.186171 8864.529522 14828.59176 11611.51703 13394.10914 11762.97245
{6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 23430490.31 16667352.47 22451425.18 19700722.44 18564325.57 9905580.646 30921534.22 33440627.2 30442748.52 28925736.61 29897287.29 25829032.8 15013709.76 17142430.41 2620987.87 2189547.783 18093356.15 15307465.12 830188.801 2429340.455 1717376.053 2520831.598 2668511.173 3586879.475
{6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 15503812.3 16741866.42 16480402.83 17878466.24 15235094.37 15679096.59 21343938.31 20928276.51 20412047.92 20968444.4 22828739.77 18604961.31 9118462.92 10520964.27 9058517.042 11833421.31 10404392.5 9713550.172 8361939.813 7718387.02 8195418.097 8091338.174 7753496.596 8558224.601
{5-hydroxy-6-[3-(4-hydroxyphenyl)propanoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl}oxidanesulfonic acid 60496.18234 57789.12003 72840.18502 55902.59559 50133.39408 59891.28143 66111.23176 44207.85161 85296.68225 64270.34012 66395.02696 40184.27415 27451.19529 28247.36521 27929.92925 22810.85159 7463.275908 32072.74029 2134.507933 14583.38031 2939.458693 16813.9808 10966.71794 10336.94028
{5-hydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl}oxidanesulfonic acid 126539.1632 138488.7967 142891.9853 143914.8973 140874.1833 137091.6316 90888.42694 88194.27886 86529.31994 93698.22123 84259.60374 75284.51086 17671.25035 11313.99267 9856.850769 9124.069815 8302.45274 9619.791672 3622.929973 4985.107225 3879.983897 3947.82937 3762.871889 3739.982975
{5-[6-(3,4-dihydroxyphenyl)-8,13-dihydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-12-yl]-2-hydroxyphenyl}oxidanesulfonic acid 1047.708414 1020.630226 80.89072994 1941.217156 1523.906197 2480.997879 646.2415881 1558.011936 2356.84486 4065.384972 1311.122767 2342.818729 10142.90945 18713.78402 15824.73963 14882.55192 13197.42033 15908.94853 20453.98842 21979.68455 21323.27852 22618.96965 20307.5431 23319.97792
{5-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyphenyl}oxidanesulfonic acid 4582.051737 4370.025748 4054.426607 4666.78869 5154.378057 5091.24362 6066.074136 5893.218739 7358.61861 6556.426808 7319.806336 7124.26464 1059.176145 1602.507602 1423.306645 1588.925066 1108.573341 1517.136673 32.40086955 110.6834784 300.8621733 75.11725299 11.63790505 34.38460983
{5-[12-(3,4-dihydroxyphenyl)-8,13-dihydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-6-yl]-2-hydroxyphenyl}oxidanesulfonic acid 2052.934581 1387.124495 1223.916087 2553.208059 2270.373441 1117.813971 662.2134792 920.6621429 742.9154306 662.0549282 2131.95536 1246.245804 5304.019657 6286.917828 5584.063423 7302.742966 6573.218594 7200.545527 2900.031077 3006.009628 2699.114678 2319.873906 3298.467266 1194.660674
{4-hydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-8-yl}oxidanesulfonic acid 143.0063691 29.37134365 161.1095139 153.1534895 75.69752376 70.62713904 26.28812272 72.23726386 18.3367412 144.5967708 86.16924243 136.4891304 1146.298966 1442.583517 478.9867657 207.5124496 1345.950222 1079.339991 600.6386026 1234.672723 1586.697475 1411.227349 871.6152986 1704.262995
{4-[7,15,23-trihydroxy-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1(2),.1(1),(1)(3).0(2)(1),(2).0,(2).0(1),(2)]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaen-3-yl]phenyl}oxidanesulfonic acid 425417.0054 321446.0341 531143.9223 420858.846 510246.3114 316834.3768 614948.772 615142.3335 1155533.526 1154330.641 1127114.92 587822.4546 227.5122527 192.2832959 55.9169484 16510.13763 247.5470003 177.3572473 10770.10817 129.6227497 1332.525625 10272.0625 163.8470945 233.56367
{4-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid 303712.3185 294785.0301 237902.1096 254172.1501 216864.676 227572.107 234426.1078 235656.7925 217909.9773 241949.9301 222749.3435 108380.0291 545007.436 555945.3587 413489.5616 411218.4681 541258.6389 550894.4799 90183.09433 77096.43799 89946.54483 82549.36204 85838.66412 89157.71131
{4-[5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl}oxidanesulfonic acid 28244.15162 25073.47387 24865.31335 23521.78606 26680.53967 24721.88891 19128.03439 20317.42278 20551.40837 19739.59455 19322.73473 19769.94589 42240.02837 60776.84899 54427.54831 65182.84153 47916.17914 58972.83353 22601.88854 18313.01369 18304.5218 19611.95121 14520.87482 23493.80426
{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid 61679.59122 81790.31394 74289.61296 6399.799461 41107.13447 54650.55918 38914.79117 93818.91435 75407.86787 97011.7723 58860.55302 93404.38924 96157.11944 96079.64835 77404.30318 86904.83931 62094.24321 82118.15061 72043.89829 133197.7788 123456.945 133188.564 106734.0508 134586.1963
{4-[3-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 52461.47848 51784.01555 52317.60483 54794.18723 51446.11682 53800.40918 46329.45105 49266.18719 46893.95585 51468.34137 46773.41281 45745.72023 3733.789695 4788.216283 4520.93446 4024.445859 3991.959711 2292.023339 2884.696201 1774.502541 2532.1192 3096.531818 2432.398782 3053.11371
{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid 16451.76637 15685.43975 14594.07288 10520.83103 11514.75671 16689.27371 27174.07 28902.49334 27493.52098 24668.08955 32419.73349 27149.25501 1162.06094 2160.07795 653.2185811 853.3098385 739.4154281 840.3654425 1242.965737 348.4033413 1101.095647 130.1185441 996.3792779 1283.215098
{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 11049.97866 11166.88242 9989.95617 12366.67333 9795.704656 10643.06043 7176.50359 6031.425833 5740.856404 6070.413146 8239.123359 7136.607418 7832.409016 7659.458665 7879.067144 8453.866275 7555.082349 7903.420407 4096.691905 4796.077293 4146.930283 5057.729825 4081.894665 4568.097235
{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenyl}oxidanesulfonic acid 151345.7565 355409.3545 167187.3936 347002.3981 209107.6317 152957.8955 90665.80091 121809.049 296625.475 298594.5871 257870.8103 280257.3436 7518.787338 6366.312184 7236.191702 6356.552707 68.96365212 5416.713471 131.9452591 3043.884986 8.268595155 2923.015152 2899.61296 170.826301
{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 2780.284845 2282.651538 4832.150063 3162.985746 3555.491514 1684.359697 3355.417087 2873.434404 2687.526401 3538.055068 1782.550845 2514.577994 7370.34451 7508.597412 7405.682849 7741.647481 7650.384302 7660.972537 667.4330868 3634.075752 1584.897205 2280.779057 703.7562213 2759.183975
{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}oxidanesulfonic acid 13485.66525 10410.38611 14878.93551 14004.04705 15005.82825 14065.38394 14480.04222 13581.81824 16351.17022 15850.95968 18136.73382 14671.0591 497.455472 147.5605198 771.7899479 873.2580104 1552.167549 1214.90929 720.7995829 123.6313132 121.8588645 358.5236127 177.737443 243.6733616
{4-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-trihydroxy-6-({[(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene}oxidanium 224839.9657 218959.741 221866.6563 179529.3576 192778.8794 220247.8456 229655.3333 226637.6456 206004.4536 200104.4785 215599.63 183029.2253 11171.55786 344.6521421 9394.476542 8337.26637 778.0227884 11390.29087 381.7167151 809.5417516 393.9729487 893.5902199 819.756763 620.7268207
{4-[(E)-2-{3,5-dihydroxy-4-[3-(propan-2-yl)oxiran-2-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 29119.59666 36055.77808 35919.35749 35062.3487 33453.58931 33040.93774 28352.44657 27748.00321 26848.30205 27305.7845 28454.47599 25373.72125 141.228372 212.228854 420.8566036 121.9353705 1647.969246 549.7396343 82.4077334 231.2651948 355.2316033 912.6724731 81.93324929 448.6624676
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 4367.573173 6990.388914 2339.319609 12727.45991 2698.816051 20305.34822 11121.33749 11967.84771 3646.969612 13571.25563 13630.66248 6496.88347 5618.316291 10279.90289 9173.825838 10304.0841 9113.417144 9544.709479 55391.78514 55204.18005 53069.57011 57649.34747 51644.68061 58325.20651
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 16609.4425 13907.2444 7665.436106 8163.317446 16146.30894 13956.65854 23378.81054 11980.41948 29150.26845 12036.5879 10525.40728 13338.74129 18.4234678 1298.916047 157.0592123 1227.907806 1492.174154 1531.612215 165.5807103 838.7799937 66.43938843 10.91233177 97.183109 54.57929594
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 1082.317231 933.2236166 500.2934307 575.469785 208.0948857 827.2375958 733.8847244 888.1380265 996.2375563 486.1978806 1041.576578 398.0554238 126.3057579 209.9012622 189.3621312 70.34942966 251.4035435 217.3942701 146.2567918 37.20619058 29.23114683 83.62124067 102.5003367 141.1739905
{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 290.8357396 853.2441768 1016.082867 893.9150922 663.0440473 699.287696 241.8144949 99.42093138 145.8419897 347.8133688 526.7474614 243.4052178 1824.219792 1122.763508 2002.407872 1766.05385 1078.955747 204.2885282 788.1513112 2015.295452 1251.940496 1993.806804 631.4858016 2056.318655
{4-[(2,4-dihydroxy-3-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-2-yl)methyl]phenyl}oxidanesulfonic acid 17156.70589 20772.21538 663.6979345 3867.232128 10536.657 24340.4255 38582.88799 54068.22839 55974.44685 42812.48264 55011.6745 30422.08047 37884.21707 40619.78343 22820.11545 44202.68983 24920.92984 37294.292 1794.276432 4682.096183 2065.662086 2086.934812 2608.895358 1102.744885
{4-[(1E)-3-{2,3-dihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4,6-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid 6268.796593 4307.470563 2588.921836 5677.776895 2665.893148 4604.500543 11691.61509 12742.96183 13102.89374 16506.04643 20965.66753 16234.30597 173800.1085 162740.4401 156046.7621 185674.3784 29857.93118 179152.464 6850.545682 15217.07786 9990.092325 15348.68094 18781.06058 15741.02205
{4-[(1E)-3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}prop-1-en-1-yl]phenyl}oxidanesulfonic acid 529.9761457 59.49972724 196.2883014 156.7239201 467.2551465 443.747976 228.7593476 361.1360481 136.9844599 547.150862 65.02000356 263.1458474 9297.816363 11300.00654 9124.645927 11020.23874 13799.63434 10412.94872 21065.18098 20897.96841 22096.82723 21090.46447 20032.89196 22672.02163
{4,9-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-8-yl}oxidanesulfonic acid 4748.333512 2517.05852 224.6141674 2154.577049 6741.952752 4216.617387 3111.611611 1626.30638 1403.972545 1007.685409 1289.768408 2260.188206 91359.25832 88467.23322 85490.55293 84491.64078 85060.63451 86322.296 40501.77025 40016.74958 39349.87963 39687.19307 38924.30605 42240.8857
{4,8-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-9-yl}oxidanesulfonic acid 188854.2102 198790.2852 196410.6212 205456.4013 183780.2195 191958.7807 89330.6812 88632.04454 81661.10802 87682.79778 88070.29112 84926.12983 222879.5687 220754.8532 203461.4384 237882.868 226213.1394 215864.2032 60286.67588 58043.97786 51618.80699 67781.07345 61226.02997 51604.21816
{3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium 2609989.173 2697639.824 3089904.241 2956246.592 2489294.093 2825261.376 1570148.96 1521434.659 1495322.212 1609360.178 1678431.63 1574334.533 1306240.978 1482736.413 1232680.142 1410689.328 1409009.042 1285427.265 817182.4432 488038.9819 803387.2007 793550.1809 784766.4717 853614.7004
{3-[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid 7944.235236 7622.91795 8687.020559 9252.447971 7387.677269 8506.587126 1921.009872 2616.841368 1331.094984 2927.19523 3012.268456 2056.722479 653.6623193 1318.680518 542.4144132 898.0839477 639.3471116 585.0744217 563.7752544 569.3127179 494.6332048 478.5146505 213.6588639 261.2414263
{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid 1617.564886 2294.035341 1358.372945 1319.547722 1519.704301 34.63724435 1428.732616 2273.78796 1914.646943 1121.103224 329.5345061 36.21157239 53171.30731 58572.58235 62014.55902 58847.88342 67712.07111 66323.47672 12720.03263 14892.20954 15065.19017 14574.76376 14944.30294 14390.63085
{3-[6,9,17,19,21-pentahydroxy-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-13-yl]phenyl}oxidanesulfonic acid 95994.84554 83683.37992 84228.03835 84974.34321 81465.22459 82402.44015 59305.36853 50286.86071 57598.9926 57141.08327 57075.82133 57707.4911 652.7446843 4084.473441 2221.403129 526.1929403 648.1095998 95.17378543 1646.579643 2602.103964 1964.202196 1804.953024 3014.746469 195.8230038
{3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic acid 145669.2491 149105.0178 155336.7547 152017.9735 154599.1564 117102.0843 200941.5574 188810.8864 222884.999 193923.225 187773.9566 210187.7527 581.5144006 11748.75962 13224.53784 214.546131 124.2490056 10768.47016 7795.511433 6346.825035 8428.078321 6397.469514 564.6560427 8878.042075
{3-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid 21033.97223 28570.16697 23011.19149 29768.80967 20624.52869 15480.13836 11841.86967 7100.424447 14917.87693 15144.87177 9498.796109 2704.542262 56731.98383 36082.81467 33928.83567 57502.69718 34731.87557 54891.89032 3054.174095 6359.679265 5191.08635 6145.340797 6605.854092 7731.876028
{3-[3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-2-yl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 25343.43333 31180.52101 23763.43451 13956.46837 25577.24425 25791.74842 22820.3197 21625.07086 23528.07724 21784.46449 20137.13907 21161.76456 53169.79138 53309.40705 49060.05964 57138.34579 54963.54573 52401.7744 9909.840795 13741.16821 13475.99698 21158.70827 23326.1516 12138.20032
{3-[3-(2,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-hydroxypropyl]phenyl}oxidanesulfonic acid 193737.1899 145147.7708 154791.9606 157784.8614 136026.4302 149293.3449 72223.22948 103841.5308 58794.01283 82737.73541 78119.83963 88005.21959 10293.32204 8835.013695 10402.73707 9215.432706 14867.92707 12220.05811 177.1094557 169.6944132 188.5600794 256.7106055 62.80402783 74.34505912
{3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid 241.5152335 232.9829974 208.5604527 299.872951 252.7540495 142.0810614 121.2589644 142.1768633 73.29396125 105.5487211 191.7008416 14.61053212 192.3416792 156.5100649 104.6905093 91.77189961 86.28519566 83.01026098 202.698055 27.28748738 89.62045654 156.0993151 214.6259239 177.586121
{3-[2-(3,4-dihydroxy-5-methoxyphenyl)ethyl]phenyl}oxidanesulfonic acid 195768.8376 218247.4 193210.9671 224996.0806 192887.8413 183132.7104 98162.54863 76724.30066 96839.19283 68387.79237 103905.8664 90833.64806 10133.59041 7378.663134 6407.362878 7044.064599 6089.452383 6715.002833 973.1237953 320.6640359 811.8651979 180.9255557 544.2207382 1595.25386
{3-[(6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]phenyl}oxidanesulfonic acid 92197.9176 89284.50467 82299.17053 96639.0748 83834.99479 89460.4498 55855.54784 57981.93117 47636.70059 56085.33475 61638.79839 55634.20342 19905.25526 18662.19809 8208.830151 12796.74585 10203.40748 14304.84927 4227.644138 2583.789209 7626.78179 4650.273244 6365.508297 3321.122571
{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid 3140.62478 2649.287676 2240.248846 2583.320154 2405.554489 3104.707242 4438.373235 5267.605267 3814.072712 7120.923629 4231.767012 4084.706816 273.0612687 172.8933376 265.7449229 192.9718186 285.2185199 419.9636406 1064.133606 499.7194946 1712.607616 440.7161909 1528.19171 1465.842502
{3-[(2,4,6-trihydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)methyl]phenyl}oxidanesulfonic acid 3598.031385 3523.713501 2372.040776 2649.966163 2719.720772 2094.584178 1937.176446 1323.867199 2237.131109 1471.195237 1306.094309 593.5563548 164.13478 7.078803884 104.8949381 56.87559602 17.4845991 388.8256136 60.16140559 169.2705306 77.40777271 16.20912203 129.9757081 105.661974
{3-Fluoro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]phenyl}methanamine 691.3833247 702.7388697 698.7732877 215.0423337 608.1237594 1038.199877 67.18267009 164.3364144 49.82471082 77.38963222 10.61084409 147.0018416 20.99103495 18.51123562 41.17453049 21.91353125 57.45256199 92.74033621 13.84023371 26.88416096 33.41160233 32.52441459 19.80575386 98.2660967
{3,7,15-trihydroxy-16,17-dimethoxy-9-oxotricyclo[12.3.1.1(2),]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl}oxidanesulfonic acid 156213.2235 155340.0715 138581.3495 129021.7985 159329.891 144794.6791 76928.6406 80781.06646 79578.18646 76617.39236 59978.36378 57056.49289 187.4047984 3874.640193 162.177358 3478.880017 62.05755387 135.0166286 232.0581507 3088.850023 57.13551883 317.4104963 3485.84514 3058.84549
{2-hydroxy-5-[7,15,23-trihydroxy-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1(2),.1(1),(1)(3).0(2)(1),(2).0,(2).0(1),(2)]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaen-3-yl]phenyl}oxidanesulfonic acid 1075151.773 1005990.849 1267295.732 1018755.521 1027428.192 1331785.092 1423883.538 1401743.878 1532546.527 1540085.896 1407435.203 1446970.102 1722349.731 3586192.836 1621029.346 1967946.08 2296337.809 3578957.796 1231717.45 1288199.093 1265936.944 1259930.742 1345877.633 1306159.934
{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxidanesulfonic acid 245591.0324 218455.4143 221925.1055 220331.9781 217052.5022 213615.0485 151705.1287 162765.7457 148075.9566 155704.8817 159860.5651 151299.608 859.5525149 165.2361154 938.1200513 1909.77041 526.970878 115.6656939 1244.617963 425.2382731 641.5028548 589.6648377 1110.644071 3678.983763
{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid 706246.1147 707926.671 678542.7966 709219.4026 703905.6471 683717.4014 457533.8754 464311.0452 452996.7991 457981.4793 521404.6866 482941.1182 3237061.557 3261571.103 3181358.308 3322602.54 3098183.47 3149366.358 967299.2377 953439.2925 964440.2813 936263.559 916010.4812 1013909.858
{2-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 2306.069532 1061.323526 214.4431567 1561.145158 992.2044242 1156.567801 1055.155467 1692.698572 1077.466788 691.7661404 989.8061381 1140.23931 13545.91542 14349.54285 12276.46977 13787.44318 13154.65336 8701.045879 12743.09068 12394.91194 11600.31753 13036.43586 12177.25523 12792.39836
{2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid 105211.0023 103110.9892 105640.8447 101943.8897 93161.08672 96082.17327 68231.21394 60680.45594 64564.49142 61758.17081 58337.41885 52528.44645 127767.355 119185.2091 115452.8798 110459.1803 108068.3761 104422.354 25025.5379 21155.15782 22036.63373 22412.25085 20671.40515 24245.23843
{2-[3,5-dihydroxy-4-(sulfooxy)phenyl]-3-hydroxy-5-oxo-5H-chromen-7-yl}oxidanium 52263.5508 49827.15996 49066.99953 85283.66813 48053.85231 51373.26379 34019.62731 37007.1881 35102.29696 33480.83426 41792.30054 38620.36244 361851.5839 357511.453 352596.6009 442852.3717 396317.8326 411462.2578 408768.2966 422771.8397 459779.3844 434177.376 422359.2278 522536.2912
{2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl}oxidanesulfonic acid 2026.584631 1768.440199 2692.961133 2435.000791 2265.504267 3180.199236 1933.212068 2468.608003 2362.259697 3565.902459 3485.967814 3063.403392 26151.60746 25197.72404 25670.31486 25126.83898 21244.99498 26453.87913 39632.83653 42889.94817 44596.11649 45042.96011 40439.46585 42991.56787
{2-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl}oxidanesulfonic acid 1528236.085 1519510.427 1540680.211 1558573.264 1448305.955 1449264.763 2513856.631 2502705.398 2379977.865 2427197.603 2583027.195 2501985.873 5465.984092 23288.67877 22704.36341 27866.41554 89202.9016 826.6235171 1171.050248 876.1585366 59670.78236 784.8043493 524.1767655 61016.18338
{2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-yl}oxidanesulfonic acid 51788.31965 52647.14035 49892.55326 53531.63109 47250.37409 49994.46644 47571.70753 61252.46559 56547.38429 56848.39219 64425.66518 38046.66128 103.3910698 210.9090183 15.35961192 109.4656913 38.05510524 191.7665874 51.23681642 203.8006457 161.1614495 89.97993692 146.8330969 50.43435699
{11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-4-yl}oxidanesulfonic acid 906.7972033 491.9719845 814.1513005 359.9111687 132.4509452 491.2610694 1297.69492 1851.990329 2254.442054 1758.663922 475.3125253 438.1363882 2112.20179 3753.891612 3465.853374 4329.074156 4430.105241 4253.006583 1371.177918 1767.854334 1576.904748 1848.694432 1869.891191 1555.24615
{1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-4-yl]propoxy}sulfonic acid 16879.70825 15850.97266 25964.93418 15703.79651 14623.05673 14117.12941 7009.354723 6031.031185 5591.07228 6254.915899 6890.743473 6585.639846 2073.484776 2634.342803 2225.993175 2094.487991 2309.421152 1961.384577 1081.541765 501.0359302 459.8838 880.7126643 536.2605722 820.5175346
uroporphyrin III(8-) 683.0463655 572.8559901 102.2018761 28.74411275 105.8314072 814.3912108 35.71259322 1299.848826 135.8816717 64.45667721 953.8979703 287.4432078 4144.964289 7136.357912 4727.066496 942.2357811 17630.56166 12596.56397 50536.88501 47604.9485 49990.13168 53945.78234 52153.76298 40624.09775
trans-Zeatin riboside triphosphate 194679.8264 232812.0601 194492.2414 126162.3156 113927.5368 129573.1199 117744.665 62742.34483 35173.67225 62173.04774 59249.90586 61208.08852 4075.56703 1118.23566 1590.3225 1833.854014 5646.743712 563.5218803 254.7671306 257.8000397 5055.978617 203.7340374 279.7785972 5005.696052
trans-2-nonenoyl-CoA(4-) 11288.94821 8925.965509 37594.27988 46684.87589 37751.6456 2198.12166 1115.92046 1103.859693 653.7424756 473.3132733 7279.099963 37.96151113 551.4028602 113.9607325 265.0803361 34.10269442 391.0319857 43.38727646 40.62091187 239.3317767 190.9618841 118.4631933 138.5198969 151.3663567
tetrahydrothiophene 360.9227757 410.0676115 260.5838065 209.0143594 451.0432188 243.5834006 364.2986274 361.091202 856.499506 728.9222308 29.38212811 401.2621025 1577.366407 1768.040763 2405.251882 2585.451162 1090.924782 2230.068972 7959.266005 6878.46118 8202.703695 7587.71115 8063.286296 8002.345
tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate 994.0519924 890.9271344 652.9311933 2757.22762 854.2750903 617.1418675 1599.776889 1074.923205 2080.350997 1807.904808 742.0753394 1080.888288 87655.22063 87184.83932 88567.45466 92526.60238 86248.51458 87899.83005 195236.8652 193671.366 193880.3349 192930.3662 197124.0079 197926.8778
rhodomycinone D 21734.0718 23757.97525 28681.79873 28500.11941 23386.5894 22725.41395 37885.7521 42189.39577 37839.85431 38713.2664 41316.40534 33613.70715 49396.10192 1042.83127 1292.95087 3091.00563 1700.196312 2713.700715 1074.886714 1452.143058 16221.98626 816.1483731 2610.048931 2445.618171
quercetin 3-O-gentiobioside-7-O-rhamnoside 1034.847433 8771.086725 2826.375355 3563.981584 3882.139736 3472.485154 7272.931597 13126.13083 11311.36864 12391.10432 3846.938751 8619.274187 216126.7632 224559.2682 218671.9833 240634.1433 225833.8618 227370.2723 467082.7127 445667.9323 461774.36 453631.6594 444915.198 471130.1948
"quercetin 3-O-(3',6""""-O-di-p-coumaroyl)-glucoside" 206250.1819 195859.8062 190057.4929 188600.369 185121.1032 180786.6917 177128.3472 175547.5674 176657.3912 169595.7551 174220.1702 157103.1634 268560.0537 291987.0353 273398.6912 277431.9711 283315.7499 279728.0629 29344.54237 26877.84475 32550.30656 20859.25688 29085.79433 25479.94943
"quercetin 3-O-(3""""-O-p-coumaroyl, 6""""-O-feruloyl)-glucoside" 917187.1117 935931.4377 763751.23 1153399.291 727767.0282 913669.6356 389534.4427 393106.4463 381953.8103 343767.2056 469997.8882 423151.5375 24189.79862 31783.24347 120.0134476 283.1686564 30206.91259 332.5886279 245.9104419 300.0932526 256.8925187 11756.70433 12849.21535 186.2956304
quercetin 3,5-O-diglucoside 1176632.097 1102145.633 1116420.395 1186117.286 1122409.002 1050243.213 869992.017 837208.636 844830.8827 843607.5603 862893.2426 840973.0918 14983.45678 756.7391693 362.5316691 14790.65219 547.2386526 3612.924266 715.0801092 377.1753485 1280.368602 348.7611869 690.9788352 319.3243455
prenylated FMNH2 223.7312664 191.6722286 291.3421522 262.3597429 191.236708 284.7101597 386.2241219 409.2640974 317.1642256 333.3034692 324.1714803 300.6087345 2.882314635 6.793331466 2.858401818 16.11972236 9.42469297 74.99144942 7.364398921 37.19921223 98.81385029 43.07441337 58.95502088 37.95339994
phloretin 2'-O-glucoside 129153.9459 130282.8154 8482.565197 128575.0253 121617.8361 136785.7573 134377.5243 139710.928 139449.7406 138756.826 143298.7978 134001.0688 105576.1635 98220.61059 106303.5818 84280.33774 85861.30593 87550.27565 19228.43902 25889.07301 23382.98139 8770.668782 23702.69731 28506.91378
pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-(6-O-malonyl-beta-D-glucoside) 122.4268873 164.569221 46.75706927 200.8465741 133.6676813 107.3070498 168.9613171 200.5256547 58.09582729 42.01980699 21.52521501 66.17098522 48.94123466 22.28607007 21.69729744 17.59816137 92.89959909 59.56867103 27.4180719 21.7215661 43.71305149 84.70182052 72.50364131 86.73886037
p-Mentha-1-ene-8-yl 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside 609.2770023 648.7911153 137.5058459 322.3379388 645.9076103 593.5071368 533.3616935 124.5335847 348.1712225 358.5205557 359.9234093 310.1399995 1347.514908 1783.296403 2097.223365 1538.224836 1916.210705 1826.173159 7377.343773 5531.915919 7415.706601 4940.621482 7399.784436 6069.2834
p-Hydroxy rosiglitazone 905690.0231 956737.7124 915756.3376 934036.6794 890277.8309 895499.4039 320493.17 323023.5872 310718.7761 318997.8584 336289.1319 317278.5569 91050.68889 91588.76932 96926.01004 90397.30971 88156.65482 90285.10387 33689.33974 31.42338233 39721.78349 50.47214928 33613.83817 129.0311725
oxidized coenzyme F420-1 665.6605648 327.6564882 538.2961543 309.510671 64.10446145 407.6471143 408.8651611 90.98674068 272.4740377 100.0248242 244.1514464 196.6745348 7951.78299 7244.475765 9304.455775 9660.323105 8437.183737 7863.843353 3698.203287 2689.887711 2815.886813 3894.47539 3631.42741 4229.657696
neocarratetraose 4-O-sulfate 3133.065903 3290.344907 5824.508673 4245.454455 3114.142546 3633.013972 4181.475948 3796.940954 3822.641407 3885.512159 4885.082749 4064.266923 72685.13403 73717.43216 68598.01835 68537.04064 68212.19377 65841.58811 198636.6417 215551.0405 240425.7946 253975.8651 213459.8089 225065.0469
n-(2-Chloroacetyl)glycine 33867.78517 32432.2077 35287.35731 32572.85264 32713.87438 33595.8469 31732.22283 31245.86645 31820.71572 29547.27265 26665.31203 31860.3909 926.8609648 964.6537239 192.7039286 555.3142717 1035.40907 337.4613073 428.233352 873.5992389 47.72168631 75.97632272 256.7787575 339.3540232
mycinamicin VI(1+) 1484.438173 1770.630188 1642.114179 2163.941551 54238.97325 1649.112199 2092.45727 1015.461956 1214.74722 1471.686825 1319.419284 1488.287009 46513.9059 47690.07738 47517.89379 49536.12853 46167.92 47457.98362 35553.10747 34496.47506 36659.3566 36137.40445 35419.74423 36577.57647
methylgallic acid-O-sulphate 1635384.364 1645878.515 1601019.942 1677203.376 1681137.84 1602321.007 933205.7987 942190.4445 896935.7196 928070.8651 983396.4037 965935.9772 59827.81879 54616.57989 52856.28225 54874.43089 51718.21789 53208.0283 27556.37388 27008.93138 31828.47693 30366.39479 26252.01724 31449.32171
methyl 6-O-galloyl-beta-d-glucopyranoside 11.63302931 21.01812499 10.08766231 12.36362747 2.894212023 44.9303218 63.61644376 464.0421577 454.2128777 26.38621158 48.83623712 24.84949628 1060.261825 2263.63391 1847.426521 2438.641126 1888.436378 2304.432023 3715.464862 3118.531989 3157.628188 4179.009441 2930.180072 2983.24355
methyl (2S,3S,4S,5R,6S)-6-[(7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl)oxy]-3,4,5-triacetyloxyoxane-2-carboxylate 14107.17287 11459.90808 16921.10969 15826.01772 16077.92642 15117.03928 16858.3455 17456.03457 13274.4956 16077.89874 15690.26089 16499.66714 5852.329781 58.19915317 5558.74756 260.0302112 102.9254064 156.1903315 50.75790593 30.28293973 61.52812651 28.19877122 256.648278 171.8950375
meclofenoxate 25962.04591 34127.6755 20172.42507 22764.81602 10307.61161 23501.11829 19793.69397 15934.55775 21917.9189 20867.88142 13624.45746 18493.07491 3153.825534 749.5218219 931.409209 5600.517681 2601.081202 117.8281407 519.1304372 42.32650589 229.9365024 732.5936468 79.27634634 349.6977994
magnesium;methyl (3R,11Z,12R,21S,22S)-16-acetyl-11-ethylidene-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate 414.1558773 262.9274462 232.1097435 413.0766468 117.7933677 301.0571471 767.493885 1284.336559 1492.629006 1705.334634 1489.882682 1467.527351 8743.812919 10236.34569 11221.74225 11405.29902 9454.626589 11705.28252 11160.26292 12148.25355 9019.289367 11714.13835 10351.6848 12659.66789
magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-12-formyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate 49.42952515 187.2770734 132.3426475 47.43967628 40.13386332 289.9120953 515.5432969 181.0611214 222.2143921 418.808904 690.5891981 543.5235971 265.5224776 421.0489595 285.7521879 436.166468 236.032617 463.1203886 298.3683658 231.8070416 116.5317877 48.69147854 103.7024986 308.3268731
magnesium 55912.1294 54484.78737 53681.27022 55489.76901 56782.48277 51136.77252 49524.78609 80317.9152 47482.79145 44761.68233 35508.16991 25356.09273 3873.316171 3197.246488 636.1117658 3168.292412 2029.074432 754.7878776 188.0392865 76.79588635 101.1163748 105.8618709 64.5331449 254.3298977
lipoyl-AMP 1565927.741 1428153.957 1409041.303 1406846.138 1427557.426 1335953.006 1415970.757 1368292.528 1510511.892 1416433.337 1325191.247 1331629.345 262610.3881 264496.9838 250318.8766 251077.651 245829.3107 244734.3757 79486.52133 80488.85011 84271.06108 83755.94699 76163.07437 83097.84373
l-Histidinol phosphate 177.2889704 27.73137224 48.23825116 82.42482813 308.2500228 12.58713266 41.26191592 15.54149611 19.46410092 6.579060473 89.02843477 127.6421309 138.5558965 436.7511909 174.0110454 542.8340788 374.2361701 259.4888975 4523.99674 4693.680913 4891.98897 4391.120563 4736.72849 5478.748393
kaempferol 7-O-glucoside 37831.81913 12619.4901 20707.07854 15387.01849 4173.104697 11373.62578 7503.552696 23033.9333 11523.42212 27202.2213 14596.49666 1727.41621 1603937.34 1750456.591 1721013.859 1692564.105 1604220.512 709720.3492 2468039.691 2319676.981 2583083.666 2535554.975 2502284.103 2540609.918
kaempferol 3-O-beta-D-xyloside 1092.627091 910.3169492 1323.532604 667.0706441 506.9507792 590.9467968 559.3028404 333.0616883 244.9731068 416.1320822 606.3569186 375.368314 402703.0524 434131.7584 401942.0322 428481.0296 432581.1417 417614.8475 3790623.245 3633490.156 3790011.357 3743963.561 3625472.636 3812427.397
kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside 44892.82091 31026.39909 3115.75217 6268.8549 3602.085952 5992.121318 1337.770467 57104.66796 50363.8191 2306.017056 1498.448034 76077.13517 1289404.321 1317338.763 1328837.548 1332942.566 1329243.879 1231923.279 2042214.03 1899326.895 1981403.25 1980663.941 2030849.535 2078207.56
"kaempferol 3-O-(6""""-O-feruloyl)-glucoside" 89139.7787 89197.18197 85886.19135 87725.54601 82745.68467 86074.85657 94983.39904 96331.68568 93986.33984 95460.99476 100290.3001 95248.37756 67213.67962 71959.10576 66520.27319 83913.56866 88577.775 58148.23914 17872.27251 21292.83035 18607.687 34072.36334 32431.5182 21062.99435
jadomycin A 2827.422709 2781.598052 2934.694651 3787.909395 2810.797834 4439.029506 10952.80848 15538.45137 10190.08089 12805.80619 12417.96107 12160.87044 49217.1419 43794.11897 49964.93685 47056.07725 46184.73997 44751.39043 1852.688479 3184.919471 4047.906399 1092.583882 6336.828502 4244.584335
isopentenyladenine-9-N-glucoside 3397.964054 2848.278074 2791.999885 3510.395937 3178.657194 2936.520432 3379.344127 3739.286441 4079.845853 3623.27355 4122.204693 3614.595512 141.5592344 255.5462336 219.00522 78.98527436 167.0157468 295.0408623 240.991019 152.713378 312.3536134 304.9294224 429.3682921 485.618631
iron(2+);3-[(2S,3S,7S,8S)-7,13,17-tris(2-carboxyethyl)-3,8,12,18-tetrakis(carboxymethyl)-3,8-dimethyl-2,7-dihydroporphyrin-21,23-diid-2-yl]propanoic acid 13417.28956 10545.6515 12055.20846 11222.68626 6072.295117 6871.346845 12081.90007 12929.58983 14671.00925 17966.38768 19359.27436 10518.8857 1263.425655 726.0055193 886.9249431 76.05942605 1549.313865 543.6826426 954.4894558 424.2672784 493.9674894 1141.304329 488.760999 618.2702698
indol-3-ylacetyl-CoA 875.5744277 120.7668642 513.4451919 3339.984858 156.6402992 797.2525223 186.3848489 623.7314809 353.3635295 124.714021 223.7624511 171.4499988 2291.655109 2441.205708 2147.000428 2291.199958 2244.629389 2157.098345 414.0719993 337.2413195 488.784257 545.0777405 398.0545294 345.7482535
hydrodidemethylasterriquinone D 309.0528432 535.2075202 585.9719447 1341.750245 757.0329653 2777.775718 1757.8525 5015.711407 4956.526091 5888.827727 3259.180825 2085.801413 18474.53466 16019.04498 17291.66172 19855.79869 14591.67394 20759.90978 9004.072026 10505.94806 11633.95512 9125.995255 10290.17011 9016.16018
hesperitin-7-O-beta-D-glucoside 287950.5172 277346.4105 276821.9957 309418.6035 268788.2852 272148.7772 272218.9693 265859.8471 245166.7957 233795.1999 235297.0978 258375.9982 7866.601346 1237.274384 5122.094517 5408.352295 5222.438195 5955.326968 5215.175634 3977.697865 619.4299735 7612.516294 7312.911637 10445.88078
helonioside A 575131.8307 593861.808 613865.7376 623569.5488 591899.118 589917.2596 401166.6041 403446.7426 405055.9005 406921.3094 416944.3974 388509.8546 3490.380344 2211.271128 4091.890511 1692.509931 13865.52142 9430.757825 1628.19124 2220.304015 3469.408881 1058.655732 260.9151607 476.4773265
gamma-L-glutamylbutirosin B 241.8735054 501.1804958 443.3064602 195.2671814 441.7154343 283.7848526 714.2809972 1043.006098 576.8835973 597.101352 2526.210785 343.334383 27373.03796 28618.6011 28056.79337 26997.24032 26486.44397 27107.16104 46500.10134 44846.30352 50570.24881 46145.90038 47162.78773 47224.29094
gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine 2306.318383 2296.35287 2428.90322 2705.05681 2412.692414 2143.651421 3071.251229 2831.602638 3055.29617 3030.827093 3112.155504 3155.186418 253.0373527 257.6673508 392.7701929 251.0706781 4.705055078 21.28465554 221.1425576 10.53037042 20.61263866 14.11517102 45.59428486 220.0720466
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3'-gallate 1384697.046 688541.8626 1400281.686 1380474.885 1313553.557 1332432.748 349900.2193 928084.5218 353422.5265 367583.1867 370090.8984 369539.1158 197206.139 185903.7369 179345.6065 193216.1425 185904.0099 192907.408 43884.74791 41663.89674 44973.50472 45299.12471 45176.06952 48423.31504
"delphinidin 3-O-[2""""-O-(xylosyl)] glucoside" 25803.30264 25091.11778 1021.991295 4818.867141 1232.534672 28114.97381 30650.43909 32489.16005 25563.95508 34452.20756 34366.5205 31052.9284 62219.69965 56965.17994 55932.54429 56930.32392 56429.85609 56774.3484 55961.24794 62279.2141 63239.67177 67945.80474 62847.00677 63935.70216
delphinidin 3-O-(6''-O-malonyl)-beta-glucoside 5697.409116 4723.371216 6168.985071 9154.107 4869.409447 6413.321683 1052.237661 446.5514178 1071.788064 870.9037331 481.6632208 654.7668539 110.8015879 246.3526259 298.796534 236.7510853 119.3495183 346.7184454 228.3279632 106.1599035 105.8308554 368.0977778 329.3163416 412.2843745
"delphinidin 3-O-(6""""-O-malyl-beta-D-glucoside)" 4444.754288 25351.50025 100392.0057 44111.00685 96721.08076 34086.22354 65974.17364 72656.22112 66107.99361 73353.45487 83123.95335 77008.76622 82945.43535 85042.83082 84735.78623 88334.78218 82328.45961 192.9352979 63399.70639 61515.47771 65372.41356 64441.64786 63161.88779 65226.58
deferrioxamine G 4399.548538 4339.794773 5041.852582 5093.678841 4341.72539 4207.217928 5870.894137 6095.463311 6175.801681 6226.765981 6167.108682 5935.674822 6016.426268 5773.684094 6244.726779 6746.946972 6466.383543 5702.72604 6321.001411 6774.716471 6419.265228 6733.246864 6510.121218 6403.613187
deacetoxycephalosporin C(1-) 98.28849857 386.1077352 101.4856452 454.1605077 75.73004226 155.016839 149.225596 67.26355193 106.6415907 119.7590765 126.826799 44.44209054 465.2884535 533.552386 883.9428882 551.0230491 1335.767502 828.7200978 2225.49437 1907.705842 2010.275625 1913.891374 1601.959401 1685.303688
dTDP-beta-L-evernosamine 25019.93579 26509.98085 24246.25399 23623.6107 22665.35103 23361.86109 15196.96161 17099.66539 17311.37624 17464.46888 11727.41849 12710.80708 6714.248337 7031.130519 4036.907415 5669.354026 8414.457275 7404.912093 4743.664774 6308.543578 5004.137003 5297.298961 9654.125884 6804.268717
dTDP-beta-L-4-epi-vancosamine 7315.337379 6705.79252 7633.994929 6988.335274 4468.088412 6545.624136 6560.898941 6471.364329 5684.14125 5963.190532 6273.787974 6503.08625 4449.567763 7942.945248 7431.543876 6762.947173 7147.547624 5931.353771 7764.055018 1241.479993 8657.449766 7941.426085 4728.897118 10599.0126
dTDP-alpha-D-mycaminose(1-) 805.1912012 582.0752657 900.9132654 492.4205164 385.5299186 993.1915209 141.1018713 719.9643827 444.2951885 419.3020357 538.7645205 840.107599 1303.193362 4155.175068 7375.825976 4851.613479 6167.536142 5911.084851 7636.010576 9753.158103 7837.117632 8586.831927 9631.616515 10324.92558
dTDP-alpha-D-forosamine(1-) 10142.80004 533.4057597 546.7020546 1386.343823 37832.12665 30924.69991 172225.8655 57131.44003 63457.19703 68365.57537 71931.87541 89718.08442 416272.3376 420309.9931 671284.7799 403158.7609 409648.2424 413234.8743 519311.8775 779367.3126 495724.2857 793420.8516 498508.5895 519384.4853
dTDP-acarviose-7-phosphate 27691.38632 7288.394107 34844.4205 30397.89101 30434.2805 32254.97808 66375.86867 27329.37099 28040.77962 29631.90792 40521.69826 29117.78868 60174.0088 60744.02612 61152.87095 58785.249 57094.39656 60014.14337 45415.02527 44507.60159 119966.7125 120771.1583 47572.41923 124538.2602
dTDP-L-ristosamine 8105.643689 9485.840081 715.0447233 3505.807637 622.2223166 9895.981317 8894.282147 6499.195285 6846.866672 8547.697409 5839.741961 7631.493259 4195.366844 7865.581847 3673.977479 5911.024018 3794.314082 7271.422468 1592.341002 1353.026843 2989.734042 1654.838884 2696.045021 2183.80174
dTDP-D-galacturonate 417.0188161 219.8891341 225.9269033 233.5468568 185.1539278 200.6913329 115.2887231 330.5271993 89.06415674 81.84013587 125.2176451 257.1971009 1216.314129 1628.228157 1000.881307 2464.870414 1272.208066 1054.915414 506.1247052 60.95972986 618.9979146 585.0272842 67.49085198 140.8202411
dTDP-5,5-di-C-methyl-beta-L-lyxose 16772.73435 11426.04205 16972.62461 17556.98687 13486.69198 19187.56729 16120.31325 16729.63869 14021.03767 16434.47816 17404.59968 17118.85146 6583.416661 12986.12237 4326.456771 10566.69996 8450.148422 13656.20472 1019.263046 637.737695 2287.187865 1936.154374 1693.135947 1792.135125
dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose 1162.572097 152.442846 573.1847953 537.0803231 1063.085304 609.284748 635.7653768 615.5435851 1315.820699 924.924207 270.6406345 414.0007179 11682.91088 12173.02993 13754.3555 15027.41056 15481.89466 14555.12278 11411.90446 10345.82031 11825.86114 10866.58475 11645.37368 11822.27713
dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-) 2248.930026 6088.641813 5237.609548 5932.625056 1261.172999 3195.870384 1491.984264 1460.916601 3481.718479 1960.162394 1183.233584 1200.484987 38206.88911 34885.272 43068.69785 37541.46241 39034.137 37211.86917 12827.12089 14602.70598 13651.65075 13723.09182 12990.43945 14251.48332
dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose 39035.55931 37410.64438 34936.77542 30495.3998 37323.87314 42524.30776 32872.64191 31321.04921 36133.37536 30751.18936 26082.19214 32801.73977 5989.960326 6211.272008 11739.34597 5400.233367 4944.995797 4682.737219 1093.406799 3966.409436 725.511328 1620.795713 1380.937718 9303.772552
dTDP-4-acetyl-alpha-D-ravidosamine 12391.81725 6909.217031 11501.80335 11799.44296 16125.29313 14337.57035 17001.233 4265.559629 3032.90741 5523.496274 4027.870704 34890.75102 29887.36003 27242.34484 29059.81493 26080.28696 20662.72787 24178.76588 31987.37871 33811.2644 36676.24714 38655.91944 34467.02257 37883.54111
dTDP-4-acetamido-4,6-dideoxy-alpha-D-glucose 2475.541272 3177.259288 1466.459642 1961.344739 2058.755661 1461.136354 534.6690693 644.8965961 1202.201253 902.6277357 784.166124 205.0167751 239.617993 96.74890465 193.8912032 303.9284477 237.3749085 109.3946493 161.7107721 40.72023787 61.83904779 176.5345039 89.85480159 76.15270856
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose 172058.3897 171446.1005 173550.6252 164188.1294 175445.9327 162689.8574 131412.8768 134557.68 130867.433 129664.4357 109508.6963 101676.909 31419.719 34440.56338 30735.26809 32284.16038 35417.21236 32639.63229 23841.65375 21968.87502 22553.11549 23026.99739 26563.88948 25337.35598
dTDP-3-oxo-4,6-dideoxy-D-glucose;dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose;dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucopyranose 1937.204613 1233.925121 2821.09448 1742.054036 2349.389042 1765.103312 1563.774456 2529.428897 1204.669341 1596.728127 2995.188691 1067.070563 6000.831645 16139.92515 15477.34329 20581.76941 13866.70261 16802.17675 48142.64492 53240.46753 51198.9943 50795.26342 51800.95392 49158.27712
dTDP-3-amino-4-dehydro-2,3,6-trideoxy-alpha-D-glucose 49130.85502 87259.31127 82364.89687 85651.85026 77311.52552 45042.45641 48294.40574 69640.65604 46686.83555 42349.46791 42663.38235 43757.78248 175.2483827 4784.700649 3557.674858 124.4681925 4198.161808 277.0407781 1367.372248 1634.880245 657.436602 1510.116896 1294.511897 142.3009258
dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose 1847.144234 1673.351764 6344.797753 4906.232501 3086.97858 1090.239717 389.6156492 704.8959133 1127.15255 1651.164159 799.3317406 708.0429958 6804.25045 6837.334043 17014.19016 16404.11121 7520.930962 17449.7257 14823.59957 15100.63884 17144.22377 11137.89462 10587.17306 16578.03933
dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose 2175.82643 1681.374044 1867.981242 1696.178444 1647.906434 1808.675968 1661.425842 1448.437918 1311.760754 1582.992667 1100.546261 1274.101941 1471.346698 2353.119614 2059.417629 2548.296932 2702.330957 1835.844822 2975.046684 1884.105649 1438.86245 1412.388557 2616.603887 2027.500405
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-beta-L-allose 12082.50597 7446.650547 5087.188632 10447.69244 9895.43352 11800.7303 10722.17009 10754.82083 10542.2589 11003.50192 15226.5247 7940.756456 67.81724057 404.644218 664.8466277 976.1524036 113.2066178 429.5917631 374.2881301 73.25279637 453.8802899 262.4660714 159.7066367 481.7074624
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-D-glucose 156195.6134 145332.4896 157302.5977 123230.7074 128632.9428 150971.4217 43417.09736 77956.01766 82453.17431 84689.31349 45708.10344 46281.56355 60158.4279 58001.06499 44932.72453 58306.60451 57973.30837 47607.51118 28879.30111 28639.43406 38490.49186 30116.86098 26666.28521 30868.75565
dTDP-3-N,N-dimethylamino-4-keto-2,3,6-trideoxy-L-allose 1905.692979 2226.69955 2084.024003 2853.78013 2278.878718 1020.751979 1274.95081 459.7391303 1670.565274 1613.681167 1590.554775 1828.045391 34129.54021 23207.7211 28412.44106 24790.20251 33658.16805 43488.18746 9922.407034 9688.651983 14338.70435 9464.305131 10049.26482 10472.58339
dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose 120.5595192 21.51562551 40.76620898 60.27957534 188.475936 8.891126261 147.3204887 29.38404943 93.35305816 71.74841853 112.6013458 198.7974792 9027.233638 6147.098526 7136.584603 5037.933674 6151.412502 4094.023147 835.4380396 831.6476137 900.9487916 926.4801757 1062.836974 1145.932357
dTDP-(2R,4S,6S)-4-amino-2,4-dimethyloxan-3-one 4432.673862 4788.137743 5152.403176 727.6483475 5079.917871 5303.644913 13949.85556 13903.36602 13371.29485 13368.55527 14784.84581 15483.47961 77136.96909 76649.16835 95896.13921 97434.94877 98372.3783 97137.59916 3889.236068 1607.231098 3157.104423 4108.533413 3009.895058 3878.212282
cytosyl-4'-oxo-beta-D-glucuronate 609.1225421 579.3267902 376.0579791 629.6246566 691.8266152 375.6030777 171.6241012 321.3006814 183.2663549 165.4635233 262.009929 174.3532208 37.7422469 17.57876151 34.90186404 29.47428562 72.80695913 32.2220177 11.57492786 29.96903365 32.03419441 27.84966263 68.73672726 12.54409915
cyanidin 3-O-glucoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside) 1427613.703 1416704.711 1335765.254 1358608.656 1317570.055 1284274.135 775075.5471 826167.5334 850795.3085 778925.5045 790680.1808 785970.2261 194.5035443 1297.477905 49793.5433 2004.551784 1525.179131 924.438434 909.5539984 626.3288292 1151.051931 1196.414423 900.3047076 1144.040735
cyanidin 3-O-glucoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside) 11.04370059 14.59232691 611.8066806 717.9267319 576.8926441 620.4402851 4162.040225 3897.743457 4339.581085 4107.885168 4528.379387 4130.343695 96.29798817 8.123347164 59.35151442 18.35846629 88.70016941 59.64014871 27.03098648 26.69298569 49.62734832 112.1132996 32.73090117 11.48816437
cyanidin 3-O-beta-D-caffeoylglucoside 7989.004803 12489.17572 9423.950871 8118.000078 12075.25696 8099.984575 11111.62633 10838.40709 11760.30747 15030.65922 11445.39056 14666.18298 693.300091 586.3176279 722.2504601 278.8898895 322.6586946 576.6617064 1131.847496 1166.19219 1296.152585 1103.942047 1033.706369 1151.992777
cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside 17674.2571 21001.20649 34360.2249 28472.11681 21753.89598 19626.68294 14914.32196 13300.97596 19071.1595 15190.19549 23176.67626 20200.35944 226.7066792 35.1842897 19.58371159 503.5337558 80.16018947 227.828937 166.6965471 189.5658413 35.18421373 104.201217 211.0434968 84.64150732
"cyanidin 3-O-(6""""-O-malyl-beta-D-glucoside)" 89.4965185 214.4868877 582.2310414 100.3984335 264.3941374 102.4262296 328.0695792 410.7171273 313.3842157 333.8985801 493.0613463 273.0142944 6301.263897 7162.913659 3888.009644 8103.070505 5068.292435 4531.8542 18475.9722 16569.83435 18762.96453 18837.59645 18883.41033 19368.57974
cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside 46466.76869 37092.70703 34136.48365 38891.82638 36340.36156 42642.98125 39104.74029 30314.23637 38064.71628 37598.46585 35101.52003 32216.94846 1054.035761 1493.313544 1269.632533 982.2750883 782.2480487 172.5155989 188.0323102 712.1513931 612.0765346 1264.998304 780.1911557 1143.47332
cyanidin 3,5-di-O-beta-D-glucoside 5130.359709 14244.23835 5074.958004 4846.24084 9364.321153 13727.05313 20271.43553 14176.11425 19046.79919 19579.38619 22394.56529 15059.60349 404.9760711 3117.280571 383.7071453 1374.794785 10621.43629 163.1687425 1574.070695 7823.417341 5643.107992 219.1048045 470.9048745 3604.063405
coproporphyrinogen III(4-) 2307.390514 2573.950535 1556.502586 3131.573742 3113.523147 1562.456455 2369.498515 2670.610997 1916.547626 906.0259598 2612.378503 2631.675529 106.4511167 210.3562117 97.13520348 244.5062375 115.4423802 119.9711406 226.4787128 235.7818392 284.3054382 75.59502551 299.6044581 186.8863473
cobalt-precorrin-6A 152.1247672 52.01358676 194.6866085 267.1469188 38.27505335 49.25228692 37.48236282 93.18252507 135.6562222 200.5110904 183.7040258 181.8450825 1860.264158 1915.256002 2324.43921 2093.441193 2184.868275 1820.421495 801.1873226 1062.860596 1201.931821 1200.876523 844.6669175 650.7214102
cobalt-factor II 22485.85548 23406.56289 11087.34973 20968.27445 21187.15427 17065.39918 18742.03447 25887.40785 22665.66941 19664.20758 17579.90568 16268.06153 1461.50579 282.8758202 637.8039927 954.2370459 528.3899242 1068.903094 807.3846631 210.0410802 470.8917241 216.4019529 244.9760482 453.0755738
cobalt(2+) 874.6005115 1394.84656 779.7969049 313.7543548 119.065724 727.0109872 898.1905558 821.4295017 1210.595553 682.8827647 947.0362518 604.4345021 50996.02751 56624.15643 53788.84489 60104.97477 54560.95815 51869.51593 100028.624 85743.23406 94871.16036 81348.27598 81550.98314 89306.38091
cis-3-Chloroallyl aldehyde 32678.76618 37576.1388 35774.86186 35991.85937 34630.73616 34242.6356 24818.57125 21350.86473 18248.18842 21726.84318 32556.58163 21035.46988 362500.6246 973045.9737 355311.3004 969774.2552 1156712.826 352231.9676 349244.1607 368759.2957 381261.7429 495759.7221 382011.734 360816.2746
cis-3,4-Phenanthrenedihydrodiol-4-carboxylate 8656.063585 8155.103408 9305.899161 8231.085332 8928.55827 6011.656634 8108.942377 7329.207063 7885.983613 7741.954383 8413.927694 8375.245447 533.9208083 678.3370366 1932.407677 359.485931 249.564351 1565.494369 465.218651 920.7872347 1013.559694 1136.948188 537.3681371 488.509091
cis-12-Sulfojasmonate 2747.717441 3058.917695 3866.967881 3597.402076 1720.69498 3346.456889 1265.361285 1822.39801 1656.157915 1261.927864 1434.1541 1308.302808 38.46060936 258.322084 104.1645126 571.3127108 464.3817356 53.47094336 142.9801851 16.6662841 52.13549475 21.79438688 23.50383133 31.6232787
chloroethylmalonyl-CoA 8134.315322 6471.414137 5492.872976 4814.66146 7860.436073 5406.993502 5082.129038 5427.174661 6106.707895 5248.973246 6233.659566 5835.113171 5159.557256 927.8191292 2597.841103 2834.228001 3038.883905 3816.398318 2284.685675 1369.234621 2052.540105 3446.327053 1937.776222 4503.487533
cADPRP 8187.079536 6822.053153 7773.199419 6920.611716 6121.365765 7616.855135 3506.405862 3900.363509 2667.719695 3592.066256 3965.710651 3232.780433 19075.37163 16639.62841 14828.06363 13840.29389 12442.61503 12115.85817 2415.057789 3004.811716 1196.773033 2302.35944 2317.095254 1869.819634
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3-) 20803.02282 19477.69625 16855.17829 14735.93757 11846.18362 20473.34909 23001.93005 17881.94195 18477.55281 19584.9076 21748.99637 20728.68561 67825.58578 60042.36555 53512.35148 46271.71047 44702.3065 42726.0002 59384.03335 66556.10447 62212.55143 61679.86184 62653.55525 60189.92329
beta-aminopropionyl-CoA 1254.12507 401.0532331 1045.925649 1355.665812 1173.199808 350.212283 488.2006182 1144.640583 907.8198217 983.2410234 998.3929562 668.9957184 7208.449518 8686.76551 8171.156253 2940.146821 4518.562138 6996.784005 7723.643351 8407.041094 7792.655373 8988.510966 8516.263221 9953.096483
beta-Peltatin A 3476.088313 3744.044255 2373.215845 2471.841146 1559.654838 4113.495444 4258.753744 3860.471192 158.3902268 2966.204118 4673.225867 3803.695454 723.0709642 1186.005528 1431.272835 2003.376356 1136.322434 614.6032694 318.4610933 36.23777158 232.0672242 54.23653174 799.2014676 23.03863497
beta-D-Glucosyloxydestruxin B 16016.44985 16809.52274 16351.16206 16397.00653 17274.74127 16760.01038 10780.87805 9479.703942 8625.330669 9009.650204 9877.022916 10469.35298 9435.334644 7399.3517 7937.797653 8421.15389 11707.11584 7843.984293 6269.862265 4398.188447 7047.601787 6369.517991 5912.471038 6037.249756
beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp 8633.020016 11016.46852 9625.568764 17319.46285 11554.73584 11013.99613 12173.57874 15977.37966 16302.57421 11398.90269 16690.88004 11104.75897 3724.327256 781.6575026 2150.673664 4097.401316 816.5441553 644.0769314 897.0546721 1198.692493 819.7612684 1810.386046 1085.266946 1589.287936
beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp 1230.46834 2084.674921 534.5158564 401.5934993 1245.079451 971.3970784 1301.397919 245.6923393 72.58778572 340.3153808 428.4571862 1105.195688 11873.1217 14497.67619 17102.6545 14679.67081 14256.02755 14301.19577 3351.326108 3533.826576 4566.738552 2948.296822 2257.06864 3027.486602
beta-D-Fructose 2-phosphate 1853.604637 1618.655195 2228.242189 1689.960448 1216.828795 279.8751232 2050.548763 2942.147842 3663.047619 1176.007131 3138.492056 2618.888412 4362.924045 3008.803126 3402.296207 2893.261098 3066.54025 2926.81122 5224.677207 4869.037882 5233.393188 6054.525673 5959.587095 5612.408202
beta-Amino isobutyrate 12312.85374 13352.04101 12132.90785 8815.275 10415.80506 12017.99091 887.6827448 10433.32349 4466.639317 10149.04456 10539.7139 8131.045737 1317.420116 1539.885003 1624.75692 1876.906818 1536.438295 1362.832603 576.3654437 353.4736591 271.6221744 282.2947838 384.8126168 465.9010704
b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-D-fucose 1709.603681 1317.095962 2268.744164 969.4335762 1966.459197 1846.04731 4725.863429 4451.483105 4062.83826 4495.009639 4610.608945 4139.401483 116.0438037 70.0540669 80.87494227 18.16824917 12.47778818 24.88144724 29.64966406 13.02628288 16.50504305 6.170337889 28.52074603 5.347632084
artonol B 377066.5401 391933.0008 383584.8657 554436.3826 376819.0001 402786.5986 93021.24302 102162.9194 102879.1709 104612.8382 106214.6221 101150.4462 80.34435432 21162.00082 21081.79699 17445.0251 20921.94077 20352.36096 12076.40644 20.66776102 44.73899278 13309.88093 15111.88749 15946.34701
apigenin-7-O-gentiobioside 76240.50501 27905.23053 80566.75808 11918.87963 5506.886319 25398.78504 30275.73291 101689.4346 21186.71379 21032.67201 30512.70943 15973.03697 6097953.604 6124824.412 6032189.248 6387229.061 6002035.814 5996284.616 10481883.93 9942230.58 10463398.46 10461590.08 10062958.83 10547210.61
antimycin A1 1395.985174 783.7837506 557.1727891 914.5166261 632.6831196 1052.843078 672.4879038 448.4267628 493.9493466 627.9267181 708.1033982 348.3203751 4383.699715 2720.617327 3876.895413 2769.247822 4709.315431 3152.169552 7498.925302 8741.547028 7915.907409 7757.187949 7909.73342 9753.979514
alphamethylacetoacetyl CoA 53577.91461 49214.20759 62227.81154 56620.19463 47133.44694 52605.65368 62707.02073 63368.47004 63297.85857 59406.01099 65827.84063 62834.76473 959.4375145 715.6859023 1312.778874 793.7285096 2423.170445 134.4507813 833.3755311 478.0576846 544.2352089 600.2796788 1477.349002 1573.29058
alpha-Methyl-m-tyrosine 47875.8782 45066.48107 47961.89335 45158.47547 46163.05787 46052.64995 47647.27804 46873.5423 45656.12409 45536.37544 45419.31149 42954.5617 5348.788107 4373.452802 4440.188296 4433.996273 4512.846695 4682.824264 6881.113672 6138.472577 7783.299778 5412.992008 8454.238056 7384.596633
alpha-Lactose 6'-phosphate 1334.641303 1728.435423 1751.341001 1857.432131 851.6558617 1928.511809 9088.487121 10300.11317 10051.02985 10659.14104 9357.760262 9893.56692 997.273216 691.5496416 1209.726558 1063.920921 529.7611754 765.5534657 1342.978245 804.4676919 1735.108762 861.0568369 2528.583652 874.6262325
alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc 8996.464592 13785.15689 896.0628229 8668.072628 10162.88667 14483.79033 11892.45344 14281.2062 15706.98813 12556.94993 14521.73628 11915.07189 167300.6276 161899.5937 129616.3953 133603.9885 132389.0458 168342.7854 156810.5583 128565.2352 165361.7162 144438.4729 157112.6102 142954.9706
alpha-D-xylopyranosyl-(1->6)-[alpha-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(->4)]-beta-D-glucopyranose 160028.4779 60911.84504 49384.89646 155706.8558 71330.30231 71531.45935 56722.94416 77581.36229 50357.72426 77973.41294 61658.98511 75537.80531 448.8991932 101.729006 144.485525 5499.220573 44.24379697 55.22416531 78.79939804 650.6897526 1329.296009 1400.406512 2191.879772 1587.407323
alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronosyl-(1->3)-alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronic acid 3940.084646 4327.302794 4831.923823 5638.135409 4636.242129 4889.846598 5388.283611 5275.699737 5247.925617 5821.120236 6104.098218 5613.218606 39.21562586 46.4664121 164.9747657 30.0244555 43.78558573 261.8226888 112.94953 47.89636661 55.40238549 21.44607096 255.6031318 146.9040544
alpha-Amyryl stearate 958.7559237 1370.928671 413.0819924 943.659155 540.2158348 1334.423808 1001.487086 944.4746235 1307.470347 841.0901537 915.7271945 777.9504459 6242.823176 6876.192553 5589.283169 7778.560026 7481.991389 7441.045801 1575.706468 2579.090128 2577.803385 2137.579995 2755.250173 2998.256676
alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID 108447.0671 106774.332 100200.7086 103291.8282 97770.72142 98664.89248 69252.48276 69904.22213 70080.23457 70627.77771 70027.42965 67597.47596 11312.39658 10024.05786 11162.93629 10553.3975 11133.12781 11310.19396 857.5346767 651.7596344 2095.390997 2671.947267 1620.20277 1201.814018
aclacinomycin T(1+) 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 127.635106 67604.53807 67360.45391 776.7960015 65446.75698 67275.5264 4061.902324 2850.528013 3464.16366 3340.529521 3634.164198 3807.265146
aclacinomycin N(1+) 1139.489352 1118.664731 1614.955433 1560.195457 1149.444212 1376.708006 2045.922995 204.6058326 28.71666415 244.0918566 1619.495701 3617.822749 23826.173 19632.08402 23725.76149 15093.67115 12964.72618 14104.31069 20049.35622 20894.05763 20029.46076 20780.4999 22313.452 19578.81758
acarbose 7IV-phosphate 4794.727353 5282.001554 3225.404042 6676.928549 3467.27654 5311.40295 16613.36145 17516.44695 11844.36212 18098.52212 20357.73534 15673.28687 2343.790494 2114.113294 2062.203706 2475.627953 1886.136623 2476.112262 226.5306733 342.8454868 33.58483694 238.6136083 253.3813598 139.364075
[hydroxy-[[(2S,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 1402.420601 2251.390126 1190.281855 1323.634209 6673.930732 2921.003658 3560.79413 6042.797848 4371.51178 4413.585216 1015.363513 3773.189089 7629.798769 3610.022987 5941.606635 8155.235435 7694.571287 7194.214955 629.8748899 8159.026286 6907.746934 1703.093842 5226.367152 7651.914662
[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate 3734.556761 4541.574289 3521.876763 3964.727393 39.24742068 3992.026158 231.1411574 452.9388868 167.5016744 699.489302 488.2142316 366.1261852 51502.57006 47118.9508 52473.36582 43472.15147 39956.08769 40197.52799 47402.50554 53857.06788 50978.34393 56919.63344 63875.86349 55090.73827
[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate 391.5368629 425.1024651 846.8371201 169.8006658 104.8271248 384.8661678 143.5256127 181.0187157 451.197969 664.0981864 328.3473004 125.7921936 14587.76297 10104.29851 13557.07937 9323.13776 9894.425683 9102.903531 24439.14904 24931.87896 25628.79477 26637.117 26705.18706 24125.35365
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(7,8-dimethyl-2-oxido-4-oxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate 7432.876477 6356.925394 6945.236534 6502.076492 6431.053496 6578.94649 894.478339 1947.519036 1218.596472 1170.616821 2826.30563 992.3691156 569.89473 141.6011869 76.03812182 107.6557379 346.8530617 266.5169624 32.19971618 146.5516754 154.3565263 127.7808714 114.832947 225.0118326
[[(5aR,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 7800.346545 5950.813309 5854.273979 6070.656702 5604.419788 5010.088211 3289.975114 3016.533634 3081.637766 2045.162039 3294.151819 3142.246168 14499.84163 12385.12436 11354.26821 10413.66456 9835.224332 10039.76521 4363.299714 4657.584219 3722.190115 4620.85748 4161.610162 4140.366873
[[(5aR,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 9987.262822 2576.221459 7825.790313 7337.98303 5218.076572 9838.457487 6657.400264 8302.08092 3817.4997 8934.679204 2202.467837 6789.308075 5917.467733 7914.916338 6677.233744 6432.717855 9350.856203 6329.906871 6474.262788 4746.715791 6523.846971 6698.861033 5127.180526 8152.092124
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,5S,6S)-3,5-dihydroxy-6-methyloxan-2-yl] phosphate 172.5516147 663.224194 523.054876 444.2295664 161.3109584 232.0605594 490.9212328 275.7606757 312.2977176 56.60005566 325.4514807 147.6588299 2810.920711 2342.459088 2432.86585 1973.20888 1898.508425 1925.167912 796.3982329 804.0514514 1341.78752 1254.575971 1059.059283 979.3818482
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] phosphate 812.6123594 1852.909408 1316.74295 747.3010791 71.56352658 1167.748592 497.9190538 242.5747809 471.1640091 884.6799127 657.5264781 561.7731711 6986.149745 3261.032612 5503.942332 4604.496972 8498.938436 5402.96704 7708.528125 879.6506514 991.663179 7775.366879 1316.581574 7627.878779
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] phosphate 241.3987834 19.86064197 140.3131078 133.5381149 48.14328906 319.6284706 272.2723206 248.8774905 291.0228418 209.6594444 327.30427 242.8652914 1306.309269 1095.346317 870.6662402 556.1706172 551.4158596 794.2853122 298.8275872 169.6538747 495.0259141 401.1506965 246.4607816 260.2551917
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate 15451.7019 13084.57248 13912.46527 16578.07514 14360.78202 11913.70724 16901.92908 18570.4324 16122.25628 18811.3773 16829.05889 22611.75524 58521.39943 62886.4752 74234.53582 62736.65909 71185.16583 66848.77174 67625.8115 65332.75893 73644.13938 70939.85293 65600.60069 72649.88887
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5S)-3,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] phosphate 14166.37096 13020.41637 13651.24857 15251.60124 12584.47585 13436.48484 4511.376326 4130.514877 3867.559591 4623.036705 3785.105224 5035.345652 207.8861645 170.0544578 387.4474325 64.44825063 362.6593421 89.4638927 446.435336 579.9998796 264.8969424 372.9955554 383.8483904 477.5957553
[[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(dimethylazaniumyl)ethyl phosphate 350.0730596 366.3612604 346.8939911 325.6727108 392.8325855 141.1617768 55.48419031 259.9641699 234.1971373 147.1397268 173.0379758 219.4829604 7229.126098 7400.9106 4484.896708 7753.752726 7682.680784 2830.598137 9923.587669 8519.042834 8242.99051 8188.178512 6473.81144 8666.901646
[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5S)-5-formamido-3,4-dihydroxyoxan-2-yl] phosphate 16748.39407 15076.75858 13694.38111 14393.71803 13823.32945 12663.30151 9301.292384 9143.652254 9730.523061 9420.664083 9600.790305 9115.057109 31.75172804 77.20860434 1194.04722 2212.17475 11.53831173 67.88827694 14.13854947 39.40893972 61.88611813 1422.575262 133.0966821 1246.752689
[Met5,Arg6] Enkephalin 2374.310401 4362.865345 2645.010278 2386.118618 2232.373681 4777.009168 1337.383625 939.2947698 1100.947628 3162.142891 2371.588294 1731.297783 358.6690383 347.3063846 111.5426662 55.78958696 343.6177171 413.4370529 510.4841724 458.8578931 309.7569761 422.5561531 285.8929124 692.6028444
[Glp5,(Me)Phe8,Sar9] Substance P (5-11) 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 67604.53807 67360.45391 70221.46473 65446.75698 67275.5264 3267.860703 1832.003305 1728.569816 1798.169205 1711.558553 1900.153911
[DThr2] Leu-Enkephalin-Thr 1224.497313 1396.184891 1145.026606 1080.317469 1212.272031 2739.894488 2208.844132 2649.513306 1850.622679 1154.951998 1722.429295 1397.352808 3053.331111 5382.924543 5330.481312 3379.004374 5324.674838 4933.024583 6613.631553 6616.368065 6476.171409 5886.664037 5635.711571 6910.681148
[DAla2] beta-Casomorphin (1-6),bovine 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 5298.857637 6075.635331 5860.191391 4933.967855 5826.641425 5393.771182 9880.707129 8780.608523 8816.53501 9733.93316 10097.13743 8486.542925
[DAla2,(pCl)Phe3] beta-Casomorphin,amide,bovine 1933.009119 2386.550029 936.9716502 2300.737231 1988.665011 943.8277319 2767.834566 3099.351439 4042.770215 2769.573782 3711.785848 2594.939136 357.9971838 69.06624082 377.6678486 431.195763 388.9565402 61.07174089 105.3764838 174.7642952 265.6099251 121.097494 88.4132065 266.7677846
[9-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-3-yl]oxidanesulfonic acid 32649.70206 28375.21528 46813.55978 35743.85549 28804.78123 32402.94011 34690.91757 34413.28288 44067.20569 28205.1852 33152.44912 30207.13046 311.5774279 43.76407405 21.6388927 35.49766397 53.97561636 405.2558946 616.1496081 780.1151098 24.79970002 20.53123936 44.73648939 80.84211773
[9,17,19,21-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-6-yl]oxidanesulfonic acid 1120.269149 2028.037351 710.0039924 1368.579234 895.9690327 1285.957265 947.2090472 877.6024614 885.2358255 443.7427862 509.9802473 872.897905 305.5287287 182.8112093 756.2311323 159.7520255 179.4580852 154.2319217 39.08728254 125.4974758 9.742574065 46.192754 28.43539064 40.0875716
[7-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium 12357.89511 25091.41664 31622.49802 33290.12719 31545.1093 4861.809558 59264.31513 62402.39676 56759.25259 56214.30195 66865.26687 65319.54627 427.0854594 5520.579201 3389.158065 3030.845061 3186.205075 5130.338217 594.6878775 638.7300975 495.5800868 534.4037122 582.5390607 601.2119574
[6-[5,7-Dihydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-2-(2,4,5-trihydroxyphenyl)chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate 19672.96891 25355.06022 18151.63039 22649.34349 17034.15275 29077.71697 5289.345492 1562.913017 1115.70747 2023.290339 1616.000618 652.9918528 428.4310191 495.9330105 391.5412868 268.6071952 307.0586576 558.5210971 53.90388701 68.02204677 94.59952273 166.4926633 47.30007531 125.7319595
[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 3902438.713 6728646.561 3793704.053 3947458.028 3498443.519 3674954.944 5662180.093 5878527.261 5603573.592 5975965.123 6255471.653 5380348.452 4356149.519 4890992.151 4021777.758 4836018.391 5359860.39 4791008.647 2533248.335 2295896.34 2529905.697 2506279.837 2421295.45 2748493.004
[6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate 35450.45229 40355.50929 24173.27006 33579.11455 19800.65444 31885.17099 54126.92107 34110.34587 31190.1867 35202.60303 29146.11427 32433.79279 263.4596857 137.2875505 740.661273 212.9910466 576.4861395 217.3475052 1567.749491 2872.921465 7990.078578 2387.068274 3679.440068 8602.267427
[6'-Acetyloxy-5-[2-(icosa-5,8,11,14-tetraenoylamino)ethoxycarbonylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate 4599.344281 5801.289699 4620.3968 6022.87228 4529.850834 2854.341331 13989.97769 17143.10045 13043.45417 14939.50898 15312.95001 9506.965548 141439.3683 137982.9784 131531.3847 146445.0889 151033.1437 137982.9522 106355.334 104404.6177 105130.5543 95663.65565 98806.24015 104823.4548
[5-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid 2685.593577 4919.096724 2311.318009 4608.138413 4859.675587 1616.457581 17326.7408 19138.31652 18303.3261 17646.13392 18185.61771 17166.48211 41153.8393 45689.51535 40575.2154 41977.64671 41834.44196 43838.90403 9252.631148 8460.228154 8826.033151 8935.271473 9322.698177 10318.75417
[5-[8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl] hydrogen sulate 143254.7102 155332.5977 156146.9702 162713.7646 139641.3957 151393.2022 172549.2351 170708.9879 156153.3387 167513.5025 199379.4424 184345.2257 840.1412037 92.15830249 316.042567 355.4441693 2640.537501 447.6054352 419.4087929 147.5520144 97.92866029 327.2523643 1300.207301 1601.567312
[5-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate 17309.88275 14247.20555 12317.53638 12492.55113 9762.171366 13193.13834 14487.95156 14957.68689 7490.961274 14165.47616 6988.522431 16214.50158 229.0384428 150.2667758 583.7120993 297.3745807 250.0276384 610.8319915 448.6167195 558.6646716 427.7299737 216.775087 359.2464077 242.1318711
[5-[(E)-[[5-carbamoyl-3-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylideneamino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate 189.4853402 761.2836576 778.1615908 66.93927413 263.8036105 142.194969 95.39474762 90.50306574 369.9668494 142.3582283 312.3544512 295.3163743 2040.303378 2040.797565 1746.499402 1822.771394 1730.474153 1510.98527 778.7288136 940.7289813 1052.360857 50.87694237 1056.352913 1222.877577
[5-Hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-4-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl] decanoate 228.7753779 315.6709668 236.5342896 520.5962102 201.2096017 203.3796708 285.6765867 223.5207787 148.0169525 302.3469762 253.5267513 352.7683311 3293.141855 2752.422291 2832.173431 2710.014305 2448.299979 2933.323049 3741.527384 3163.610893 6544.077481 3752.215253 2867.365746 3889.841547
[5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid 7482.821408 6703.160073 7273.541201 8312.604302 9464.684724 5592.704928 5398.856531 7606.873759 6260.980045 6410.157935 7575.175526 6927.66054 34.7116856 74.19604505 16.59651557 116.2841315 414.6969656 130.1687238 65.40991697 120.7320196 164.2799351 126.3728287 40.78618638 176.2120644
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-(3-hydroxybenzoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 172.9868826 41.16428616 131.6129038 179.0880348 326.6129541 129.9938572 187.0168137 489.5177648 73.30800908 20.72292945 324.9376996 65.14448598 2039.719307 2632.863382 1721.108561 2716.362048 2703.89573 2955.591629 264.0859405 225.3036754 59.06870672 274.1587093 343.3996332 549.9146396
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-(3-hydroxy-2-methylbutanoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 4803.883308 5132.83315 4906.807749 5608.054575 3878.19683 5720.127913 2126.325696 2355.997192 1606.211135 2098.220789 2337.286771 866.6802132 41.00841679 391.4332251 290.3105387 29.63113629 180.0373308 63.25018905 97.27553104 182.405757 94.52046053 104.3343141 352.3232995 43.00895776
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-phenylpropanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 11277.23756 24535.34325 21887.50711 23168.25521 18797.83857 20509.15222 18122.735 20849.53965 19162.38105 24135.85745 24565.36995 23817.38809 203.7208569 980.5619022 103.5030042 305.5827054 184.2104282 866.8214613 1898.532962 222.613111 1061.918789 1717.073038 1115.359518 1036.044857
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 311.2359161 365.8189936 122.578603 216.9057189 317.4604098 83.95352363 185.144401 309.2686972 96.4025171 36.39033825 237.8987282 91.61381384 341.7185655 164.2353402 208.2859952 423.2772278 249.6242113 246.2736582 2032.755853 2369.626524 1314.842398 2543.181553 2504.046384 3192.380335
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-propanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 17607.02164 16872.39447 21127.61453 14216.70131 12513.68152 25030.08437 6795.764617 9418.136838 7571.041832 10184.69584 10215.12536 5087.52415 2573.134264 3552.866009 2097.556633 3374.254686 1653.682658 3998.465652 770.6989776 754.6433081 988.4525792 563.6516327 660.753383 1300.894005
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbutanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 89677.71274 31985.27664 26669.91412 26811.56179 1615067.65 57137.49896 1853928.888 1880245.355 1834467.836 1863250.817 1957511.379 1859100.858 1385039.211 1420061.934 1414934.843 1475031.586 1374736.829 1413150.904 1058660.78 1027197.559 1091601.433 1076059.324 1054689.639 1089166.276
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbut-2-enoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 69.08990189 20.97035677 176.6611583 201.5456576 97.08572164 203.2262434 56.97017463 51.22528741 34.53615004 36.03127225 74.95220749 100.7595525 364.2886126 214.3768687 52.34185682 34.18225832 95.34191548 110.1693935 55.62883841 96.28331537 39.4577955 25.97092373 90.39963107 45.48460547
[5-(5-Hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate 2507.623257 802.5381597 16165.12912 1784.79769 1977.010729 306.207995 2730.235846 1805.047569 119.7913441 1056.929309 281.9809786 221.7478689 76552.88603 79852.72966 86772.70477 60703.81448 65318.51735 68690.5603 33231.56272 38312.39864 35032.35057 44423.87326 37592.57041 36124.12926
[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid 21408.7375 21260.15369 22577.85192 22353.60077 18979.89541 21165.67273 19675.9389 21483.12547 23936.25717 22042.38613 22046.0424 21321.31548 1614.658939 822.5451667 535.2921996 472.4201391 102.7585021 643.5944655 867.2326087 471.744076 512.5762714 348.7044993 784.7432649 569.9057098
[5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 72100.59671 66856.04999 71031.11596 71983.13464 64307.50101 66506.62488 268174.2371 278041.8517 243525.2911 275264.8091 280853.1004 280523.0147 3469.431511 871.1140448 2737.444607 2863.029621 2994.519223 1664.816035 3372.03793 2897.227256 3587.057437 3346.348639 3689.708768 3900.760815
[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 4540.384843 1396.499717 2392.233904 1176.381082 2338.962474 2775.960413 10359.72255 12575.00405 10542.53739 9153.47359 10220.97316 11123.07075 62604.53733 66733.51461 56554.40364 71437.3847 74978.7836 69101.06726 9384.417085 7329.701483 9108.111605 7385.85711 8782.843567 9585.263299
[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 387834.852 357728.7784 106207.9689 96397.38935 95166.23911 114532.1479 153874.924 107287.587 99410.18704 155595.3824 108673.3976 113434.7928 14718.7826 13277.62464 13569.90076 6424.771666 14633.77974 11762.49458 558.7216401 753.0393546 1616.778284 872.1667009 8238.05992 1890.871798
[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid 32988.74412 33009.98785 31784.66035 32465.36655 30622.42534 31854.48135 35151.34423 35650.31656 34782.35374 35328.0923 2171.742743 35249.40717 26260.98035 30412.73909 122454.4851 122248.8696 118839.8935 119717.385 20072.69522 897581.2068 52686.72655 187326.9468 46923.80064 61282.82662
[4-[5,7-Dihydroxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-hydroxy-6-(3-methylbut-2-enyl)phenyl] hydrogen sulate 62748.33328 32203.37381 64196.73118 64517.90253 62231.408 41030.32522 63376.64924 48051.98505 34317.27039 42269.0101 35530.38631 23698.85623 28264.56697 27865.36738 29537.34949 28126.43546 30741.92858 32207.39062 18671.97102 13226.47704 17704.83158 15533.90768 14951.78767 20913.70274
[4-[1-Hydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)propyl]phenyl] hydrogen sulate 8616.591204 8408.141748 6810.152947 8196.060946 6928.856935 6992.525149 33.81780909 268.2344103 349.7648761 1259.509217 190.9279348 48.86720857 452.3044834 1198.553631 248.9569308 316.1583633 26.7771027 32.72113797 119.5314715 110.7426527 123.2212507 130.737167 477.9335603 83.90549897
[4-[(E)-2-[3,5-dihydroxy-4-[(E)-3-methylbut-1-enyl]phenyl]ethenyl]phenyl] hydrogen sulate 413.6141471 114.7538369 102.4250511 175.4499145 134.6696173 66.38602928 350.8980049 385.4982163 373.4225372 711.2800611 788.1662322 868.2300013 1249.481249 2164.970937 2780.439673 1156.059521 505.9580345 459.2513725 7969.799666 7025.077603 5144.162155 3353.556618 2090.452332 3232.360557
[4-[(3S)-3,4-dimethylpentanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate 26242.65069 40409.90471 15676.32093 30989.49057 11485.48831 31720.57451 2657.669354 12477.33078 12673.90622 10228.75529 25086.27418 6727.294924 29003.54768 33794.60733 18750.34819 33827.88659 34043.84449 21126.15185 86763.92463 78806.85833 84335.36915 74174.23222 76503.88683 80915.27351
[4-({[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid 4497.268203 4560.33465 2504.127062 3946.838919 2940.715454 4286.859228 2411.313789 2731.55478 3778.215758 4249.608622 2702.507321 1502.364444 1678.384046 1673.24302 1976.427575 2420.481517 2568.410848 3309.023698 9224.492637 4107.067843 5193.574365 4616.149637 9224.706308 5408.410065
[4-({[3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid 1509.958048 206.2541024 6416.929084 4204.680114 1794.59217 3656.653605 8793.686768 1923.723009 164.2893814 565.6521565 8663.597209 8012.968169 21570.1246 36376.21991 27237.83685 35648.15059 37707.59798 31465.48765 228645.9319 235408.8945 261406.761 271112.9139 226260.7102 273933.4436
[4-(8-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 53736.02693 55709.40063 66968.39401 59336.53862 65850.33742 58986.59228 29032.48637 29821.27073 28015.43575 27902.73007 32738.28354 28664.91937 64700.24443 64546.67862 68085.8177 74858.20842 74997.38307 64868.35795 23728.996 20447.62681 23457.73516 23791.96928 21558.78052 24570.28761
[4-(5-Sulfanylidenedithiol-3-yl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate 18630.07105 20647.83168 18396.75294 17403.77483 20457.85601 16234.66635 15505.00046 12697.98727 15271.38259 14481.8012 13766.44753 14445.77209 70.26502623 807.4514718 1460.232651 889.5397652 767.7222752 1050.666042 85.43006657 68.37297483 178.5858254 150.3581703 458.1970384 440.8443866
[4-(5-Hydroxy-7-methoxy-8-methyl-4-oxochromen-3-yl)-2-methoxyphenyl] hydrogen sulate 96631.82977 108432.6105 111680.239 105034.4538 90023.9312 106080.5792 80532.27773 69739.24297 75305.75166 84397.5444 90568.34411 71456.54517 13991.41855 7072.945144 13579.82663 7693.029828 10310.82693 8403.028508 3323.624189 47.82173264 3522.770728 3241.709679 57.05737229 269.1566126
[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxy-6-methoxyphenyl]oxidanesulfonic acid 358.0569634 988.9569285 351.7498231 538.4619971 110.2200097 369.4029143 386.3447022 65.38536971 216.5118893 462.0813964 191.459279 525.0026439 5107.274981 4200.090553 4840.34865 3725.466828 4682.288554 6203.277944 8002.164063 4726.390063 7010.649128 8538.627823 7098.15285 5468.141865
[4-(5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid 2551.664518 2649.159988 2511.343249 3679.247319 2528.102071 3368.407775 3513.329964 2386.726661 4059.338236 3392.62495 2025.763697 1341.978738 2490.64823 866.200723 832.7266421 2516.764528 2641.513956 2413.032442 836.246675 451.2115784 655.842401 467.0433005 898.4570126 459.9389979
[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulfate 103197.0354 101607.825 99864.64587 103229.4124 96829.47286 99458.53343 108682.5261 105390.5491 106071.8018 109353.7144 109082.1121 107947.557 4642.925917 8695.115796 3551.350617 3285.368262 5278.324616 3659.605022 5961.378675 3638.823116 16004.72372 38205.37667 6541.877908 6926.336299
[4-(3-{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxoprop-1-en-1-yl)phenyl]oxidanium 2817.651708 3339.44297 1088.583062 3961.370905 3239.109865 3313.273726 373.7663051 701.1964327 1019.698236 816.7452992 597.3125067 451.4481496 1755.198022 2016.682493 1344.736345 1790.524963 1877.212028 2024.425497 342.4184876 263.4773182 461.4804755 416.3238825 264.8506671 161.0841846
[4-(3,5-Dihydroxy-4-sulooxybenzoyl)oxy-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate 362096.8904 336703.1526 326668.1522 334136.7777 333772.7032 337945.0922 215064.2518 211611.4018 210170.2689 202244.0789 183605.8292 181520.2057 6272.66522 657.1631984 6824.188005 5689.601372 164.5089316 2811.608367 79.46179632 77.41422521 2052.832671 99.17582775 540.6133892 81.89117055
[4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 64171.13515 54744.07918 68531.97965 18762.71647 59484.06702 68169.5363 65891.0367 79637.14991 71760.59478 77007.48346 71713.19172 80125.9063 5746.719564 6709.33172 5416.019177 7045.237133 5779.753223 7311.944077 9221.476529 11323.20221 10957.70821 10496.13973 12279.36358 10725.54876
[4,5-dihydroxy-6-(hydroxymethyl)-2-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)oxan-3-yl]oxidanesulfonic acid 56507.25241 52298.80987 53455.74775 52342.04306 53369.82263 61035.92379 58674.46199 55413.05029 56967.28272 60999.44649 49113.35363 57027.77742 32179.44576 35737.94422 39907.54789 42607.35771 40661.14742 46647.70851 22489.5917 23643.19446 22724.23154 26361.4974 28103.56497 25545.58581
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate 6573.315576 6184.726989 6621.427538 6503.205402 5487.360531 6193.984483 3731.689162 2241.432047 2565.967125 2851.103791 2368.919386 2202.762218 154.7652201 119.6760083 66.13201338 121.2707552 98.9992218 64.19566007 76.04354545 12.9871878 61.11952522 20.39214237 12.18976991 107.0876987
[4,5-dihydroxy-2-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid 22339.51924 22886.44978 18426.88761 15160.549 27332.62415 15226.60308 5874.66355 19115.7416 5467.550687 5501.4541 5474.671001 9231.982717 30891.99048 17330.90637 20690.0537 31930.07568 31332.44311 31668.50335 15732.74941 16865.86681 22715.21997 21104.94891 25716.37173 18328.37641
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 3,4,5-trihydroxybenzoate 115329.6042 140755.172 131295.4864 109880.8439 105195.8865 106724.8947 77988.6148 42403.2776 35995.69563 58030.81216 46252.71633 8028.144764 54.98098585 2847.247114 2462.281266 4.516461389 28.86345163 9.526958882 1527.65493 23.65584389 13.51650438 1873.944332 41.95365935 31.25711175
[4,5-Diacetyloxy-6-[4-[(ethoxycarbonylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate 1159.115312 1034.36221 1316.35502 1306.448358 995.1154316 757.9497606 467.9636956 516.1655255 523.7772847 384.4326086 584.6707931 605.0761403 1.423831961 67.09342003 27.80773427 13.9534888 24.64378652 38.03439551 24.94858095 16.6040928 2.278122926 14.44612587 39.15584159 2.164216611
[4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulate 37424.02798 35402.87754 32901.44942 35232.4564 36449.90489 34343.44239 38099.68057 38840.85268 37036.90044 37717.94243 34814.25884 37407.06132 1415.53375 615.0743208 451.5015669 393.7968072 2122.052384 639.6879893 149.7954425 658.581149 217.1645105 381.85829 174.9875335 361.0634243
[3-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-2-hydroxy-6-methoxyphenyl] hydrogen sulate 518.3677953 1132.450206 331.2842032 810.1439446 736.9967353 888.1666176 5486.131545 4473.808307 1689.708626 5715.061393 1905.866728 4776.139614 5305.007515 4433.185754 5744.793348 6932.440782 8305.168353 8378.822325 1186.158597 1037.68935 1158.671155 1002.948237 1203.673361 497.7480017
[3-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)phenyl]oxidanesulfonic acid 54908.55202 54278.89305 52377.91093 55460.02472 50598.56897 53752.65778 42687.02986 34712.08659 39342.40439 31644.39515 31860.33863 26477.84842 9504.298983 14256.04502 8807.745917 14960.44814 11225.98085 8020.30084 1465.0288 1440.430381 1614.293305 1985.22661 625.4245814 985.1311618
[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propoxy]sulfonic acid 4737.609446 5585.202579 5070.700235 5372.050918 4769.932402 4365.090591 2503.494992 1990.768106 834.0767083 2128.514369 2679.07039 2499.491982 9438.239935 9262.691234 8175.427372 9480.670461 7991.536356 8984.140613 8830.936659 10083.7824 10324.5254 9346.135041 9180.632511 9314.895998
[3-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 117379.8282 127328.6585 57148.35562 4696.599236 55577.63493 112869.7823 6203.973991 129551.2826 23308.57062 56258.96353 137938.6928 7738.732366 120727.014 90290.78497 114205.6061 140803.9344 133550.3521 83263.371 50992.0232 46770.3462 51578.32319 48953.64132 50454.22751 52033.62751
[3-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 943592.8598 904833.1714 934566.4573 951486.7492 855218.1317 901344.8129 1077024.002 1075037.555 1025110.166 1021090.977 1090723.693 1020307.589 1205.7066 23431.8169 230.4909911 487.1524945 205.7830162 19463.71173 513.3301176 10451.39747 11786.45783 9594.982316 78.41015883 214.2065067
[3-(4-{5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)phenyl]oxidanesulfonic acid 35274.29613 51062.33785 30448.44967 10885.77933 31387.3132 31453.74666 57209.19592 56994.51324 54879.39076 51893.29368 145467.0326 58448.79002 246.8180145 90.29393516 3114.525123 3852.265577 184.7932441 3384.98909 2151.350594 62.38588711 1584.226009 91.11157993 2027.855329 2243.542381
[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 254.673097 118.2219672 488.7068337 468.0639117 53.88361143 306.9477095 468.7250198 914.4570068 923.8237847 171.3010998 840.1715675 315.0187541 9889.090017 10903.81026 11076.42306 11476.08105 11836.35091 12447.76565 12630.30666 12869.16596 14697.71034 14634.3236 14555.55956 13794.00946
[3-(3,5-dihydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 240776.5546 249539.3289 242762.1306 256851.6352 231620.2682 244077.0241 195857.3135 231162.0145 140984.6468 267989.3985 299592.7291 39354.38679 26671.93351 25782.299 25420.75573 26430.14709 26358.55937 23153.09146 12604.53479 11972.88668 14320.12154 12446.67201 12848.78303 13584.21833
[3-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 59166.04846 72788.00899 70138.53155 43962.84171 52119.00996 38649.81199 45662.68397 39540.87078 62810.33505 71396.59582 45361.99875 42918.94089 11176.67703 10353.85629 7380.396415 10343.34523 7160.041679 6462.785432 5591.595638 4830.566274 7265.891415 7551.047532 7548.669259 7182.321051
[3-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 42407.46431 63759.77281 62975.41348 64931.70598 72508.01761 54757.71602 54057.6824 54803.23007 58163.87546 31662.57058 55366.22879 61644.2012 311884.8051 266039.4992 146193.7639 148127.3642 152122.882 202341.4242 216019.3161 194699.4633 222762.645 220104.6298 318632.3657 202586.2461
[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene][(6-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-5H-chromen-3-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl]oxidanium 294704.1446 265139.3691 267458.7354 292702.2007 33772.70229 177263.5504 262395.3414 594356.005 361697.2183 491345.0702 654111.8353 207846.0326 79.66782157 32497.61962 22255.78421 20684.48854 37870.02879 27125.36638 8936.480113 85.49428558 72.71322771 201.813841 3418.494301 12.67382599
[3-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid 6364.533673 3400.356209 3687.498917 3728.020909 2235.777761 2888.868785 1191.179925 1301.501404 2394.770807 2516.064927 1976.773798 2043.716845 242.2464311 960.4969829 387.7756172 479.4099313 254.4867981 619.391622 93.91067473 153.9757281 262.8556171 198.7927509 90.14460823 331.714231
[3,5-dihydroxy-2-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid 59743.34159 59545.40807 66377.80768 86402.76788 57774.85489 63457.82819 42830.27154 43960.49774 61917.83874 42745.82873 53024.69212 45272.42707 93849.32587 89064.70511 92727.58207 82838.90868 94867.57921 91929.58813 79972.88696 81624.02817 83539.96477 72293.27012 71849.3442 78358.73862
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-aminobenzoate 447.8499975 1037.860448 451.4761734 439.7331283 691.4461485 1051.020361 1701.182382 1826.394572 606.1713525 1370.346617 1241.139374 1750.081227 8297.854523 12878.22861 7809.99965 5853.285019 11770.74211 13354.8932 16227.26009 14681.57915 13964.55425 18453.18143 18947.35251 16014.19452
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 15-(5,6-dihydroxy-6-methylheptan-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate 648.001197 1211.224836 506.8368735 467.3634013 394.0597377 460.8442121 566.2800178 635.9473455 625.4612574 752.3810862 741.3279156 936.8259313 14950.34826 17651.44711 15480.66937 15267.21702 18499.19565 17442.68475 11943.6419 13206.69247 14408.48573 13316.01613 13299.67495 15169.45397
[3,4,5-Trihydroxy-6-(2,4,6-trihydroxyphenyl)oxan-2-yl]methyl hydrogen sulate 10185.07384 9453.29324 8425.053963 5479.305972 6939.530857 5684.180917 5706.604012 6606.075908 6198.723625 3916.72171 5484.841756 5692.85899 412.5318392 291.7157227 431.3854388 677.4114544 538.1020474 447.3655928 697.2345671 818.8884649 970.7095788 920.3561458 1117.37949 1002.81498
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate 4099.604301 3862.793912 3594.600104 3126.671495 3717.434299 4254.46044 71.92577692 602.794591 728.1476224 627.0384479 399.6771696 675.4264313 2884.125414 2919.058515 2714.138206 4350.655244 1303.099836 5917.962491 4026.135278 3273.92047 5310.662227 2935.126355 3644.333428 3005.969348
[2-methoxy-4-(3,5,7-trihydroxy-5H-chromen-2-yl)phenyl]oxidanesulfonic acid 127.8241075 281.1539546 303.729848 248.3262282 234.5762903 282.5643407 261.2960624 326.1470243 363.6644501 367.2319525 324.1369397 268.9060335 886.3386047 861.6350462 538.5213466 331.9822147 360.6504173 265.1886941 1775.320074 789.4885019 738.8313818 1307.844747 1487.950044 1030.008242
[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate 2925.594803 650.0234756 973.7677402 1114.856208 1544.726132 1600.894153 2389.83616 2028.647614 2034.672672 1869.562142 3088.718189 2487.187159 37567.10489 38512.50208 42345.40466 51042.18357 43799.54644 57542.64566 14620.9166 17193.96765 16361.90343 17619.62504 17472.10704 17673.00133
[2-hydroxy-6-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid 2769931.701 2394281.147 1908136.382 2691070.82 1856732.337 368879.2934 2774044.975 2987024.118 2842478.18 3122333.669 3029397.698 3444634.578 1806.41818 32661.06247 68204.64438 48469.68278 1721.087834 91868.13655 16211.11321 6421.035144 7511.594643 8739.725747 22985.15115 12107.00271
[2-hydroxy-6-(3-methylbut-2-en-1-yl)-4-{1-oxo-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl}phenyl]oxidanesulfonic acid 26808.33067 23531.49326 29153.21348 62111.75748 31542.30159 25193.29695 67694.1929 29560.34581 26819.68976 33928.84923 28308.20383 27349.57575 169.6551524 384.4393025 146.7258999 252.0350388 123.6756382 62.29927618 1385.628864 1530.9587 1294.45245 1468.8347 2029.779126 2270.096758
[2-hydroxy-5-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 75.06185917 58.11229328 664.6364384 569.2538342 96.36989528 617.7153726 35.3516162 525.3863426 663.0813578 415.9197997 313.8728196 209.445867 6048.276458 3957.191801 3695.603406 3532.727841 872.0436695 4606.238937 7908.626225 2739.375241 7611.605679 7277.812262 8164.87012 8494.114073
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 106938.2797 107233.1943 109285.9283 107931.8485 101240.8539 98884.7387 93547.78848 97266.49937 94353.32129 87401.68818 118358.8436 97189.91117 363638.5986 362664.6887 346220.754 355668.2234 361004.4283 337128.5394 479577.2106 459417.4864 494504.0629 484425.0621 469052.4154 496213.6583
[2-hydroxy-3-(7-hydroxy-4-oxo-4H-chromen-2-yl)-6-methoxyphenyl]oxidanesulfonic acid 734342.1451 735833.3251 740921.2912 765580.5457 686661.4014 712622.8086 583920.2432 647787.0394 309900.9633 627051.5308 700337.0169 626672.1607 21128.51989 1812.067893 797.9083699 2140.797985 18582.71826 783.4001473 8416.018834 28.8882638 7936.027667 7997.966195 7870.890407 6977.57131
[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid 702.7750544 311.6030167 418.5728025 166.1757769 191.0336586 168.2306246 217.6539557 146.2110295 43.94158621 244.7619928 284.6900226 426.4602272 18924.30259 18060.49542 17719.29176 19651.59609 17186.36549 17621.21695 35552.83507 34129.05655 35561.83032 36108.1718 33146.72499 35335.04358
[2-hydroxy-1-(7-hydroxy-1-oxo-1H-isochromen-3-yl)butoxy]sulfonic acid 19314.2471 19343.25435 12898.49957 22172.85093 28131.19163 23355.48218 23732.20919 68042.30002 29446.94118 35944.07032 49351.21406 22080.46762 18195.27235 10279.61302 4396.940898 6195.661938 2625.648437 5736.121175 11223.70134 1452.3999 3923.883983 6258.187514 6952.085077 8305.723695
[2-[[[[4-[[3-(2-Acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] phosphate 6452.070864 4311.58977 4756.883008 3325.41886 4647.24636 2887.444343 3105.980747 1060.232565 3798.18134 1774.907606 1601.946474 2101.183209 127.6258812 102.3650282 158.1858243 273.2708706 19.75156569 163.68165 290.264063 233.0687664 209.784404 152.7378525 230.922758 201.0434139
[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 6764.112291 5244.626294 7607.958151 7559.625974 2930.840774 6014.134021 13432.88105 12874.76803 12798.29496 10229.93398 13262.34428 12584.99081 40696.42992 38902.92368 34133.80553 37882.04724 34861.75879 41027.45613 28569.06348 31260.97108 33834.78389 30091.05066 32083.48526 20200.88454
[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 5220.458119 5572.797108 5375.986929 5078.345144 5648.766106 5845.03427 1812.657177 2955.946509 2293.249375 1820.724015 2725.654751 1039.034054 42.09874899 16.10229041 10.5731781 27.54838114 12.22236232 14.55023534 287.8759032 339.2997791 369.3218861 338.9068862 14.5502508 476.4181765
[2-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl] hydrogen sulate 252858.508 238555.1671 230584.4628 252150.35 212949.2383 246430.7609 105225.5767 113215.8141 101541.6403 106586.6061 111008.1832 106579.0963 72914.15974 77827.37274 76014.18855 71990.82886 86024.29447 75385.48087 80329.19639 72344.9249 75783.39283 74201.89011 71368.79311 79488.43506
[2-[10-[2,2-Dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxopyrano[3,2-g]chromen-5-yl]oxy-2,2-dimethyl-5-(2-methylbut-3-en-2-yloxy)-8-oxopyrano[3,2-g]chromen-7-yl]-2-methylbut-3-enyl] hydrogen sulate 139.9187423 62.79574372 108.1867867 121639.7717 70.21381791 271.0125263 261.0114952 96.87055712 147.2299956 45.91589159 141.8160271 49.36135817 6556.151428 6734.370641 5783.028818 2941.583024 7489.465693 6908.534357 12563.39199 13539.50594 12324.04822 9993.332823 10696.01061 13231.33059
[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 21123.91015 3054.57813 394.2979776 4058.48177 3056.680803 3335.282647 5096.917216 5244.327268 4164.430465 4313.745826 4871.940718 3599.313625 20740.9876 5560.498862 10786.35606 10993.15927 8358.357311 12227.94925 9275.705797 18561.60831 8957.378581 9333.943651 14735.50283 10305.71616
[2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid 293304.1726 282001.8535 285710.2699 549378.2703 259289.1479 497894.9147 209306.3385 228150.0583 217844.4912 434898.8108 220861.4305 205084.3098 31005.3666 35894.26032 27938.04752 35237.72911 38931.56477 39.44437375 27998.23082 24536.85748 21634.43874 29445.43077 22549.04976 78.27633971
[2-(methoxymethyl)-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 323018.9186 331010.4578 318792.2685 336664.339 289814.9881 295991.6704 362293.8112 365323.8735 339443.9918 349011.1805 409740.7055 367731.5814 19974.82912 16061.67974 16318.95327 563.0186699 311.1431714 285.3061201 65.77013896 315.1179727 5598.13143 147.0785186 3583.764739 6931.02373
[2-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate 25545.81752 22527.26613 24747.35245 22818.94239 22882.27458 20994.93275 8220.019986 10394.90022 10431.40047 7068.290483 4552.045216 4058.943235 6047.672766 6832.500454 4084.073186 8841.299349 11553.18486 9399.783314 6574.510718 6886.861647 10636.66696 6686.914438 8012.025008 7776.423603
[2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid 402888.554 414055.3261 408020.7082 383328.0533 414002.5911 393070.9957 359231.6362 370654.0365 356663.7689 347731.2469 371595.6258 361359.1747 138197.8503 132838.0873 123077.6967 131968.5256 125693.1896 115631.667 97582.75136 107923.5216 109322.1493 106027.6499 107369.8408 104701.7249
[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid 2999.701423 1646.108374 909.5779432 1550.821249 978.8449966 1078.716041 553.9316768 227.7058577 335.7864332 232.5747603 572.9517633 308.6606142 34013.40132 44328.65984 37174.09306 45878.18586 51383.83371 44261.97433 38497.82252 33997.07633 36139.58276 41424.49722 34348.76446 24374.98311
[2-(3,4-Dihydroxy-5-sulfooxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 3,4,5-trihydroxybenzoate 1059.934836 383.3635272 1025.87501 588.0435037 782.5822385 517.9242901 622.7373868 280.7008719 1096.786219 921.5007594 68.70566872 250.3409077 22408.9618 24817.59865 24401.88534 25095.19175 25582.77924 23636.84598 36379.46624 35997.74301 44192.28699 39070.68374 9144.988065 40554.3458
[2,6-dihydroxy-4-(7-methyl-11-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl)phenoxy]dihydroxyoxo-lambdasulfanylium 1905.445092 2216.81222 207.2544969 3588.392118 1797.673544 106.1456137 840.9617826 368.3500779 1108.203078 403.9597318 893.2353497 1151.664058 665.1088788 396.346047 528.1496931 1217.271487 357.5670981 1271.646795 530.1411014 374.9079226 470.9754745 193.5809869 630.0762694 404.4313044
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(3-phenylpropanoyloxy)phenyl] (3S)-3-acetyloxybutanoate 1395.967026 473.3481756 335.3818939 1699.985215 3926.189523 395.5952554 1167.618368 2076.559519 655.2019299 158.2261302 1259.494796 1216.061161 15248.53088 11816.1223 10713.57032 10255.49305 10412.8038 13137.55877 49258.68353 36478.62806 36386.05105 33409.83026 33677.31195 40467.27213
[2,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate 128269.574 125307.7842 117032.8997 127316.5708 122050.6823 121791.7719 87698.63579 88004.55996 91277.3618 93332.47286 81560.02265 87441.97072 285.259115 6612.85943 196.04323 5088.784668 109.012778 200.5433439 2543.503221 73.78908305 207.0984368 172.6460484 3268.869027 2891.539099
[2,4-dihydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]methanone 191481.6109 236653.8793 282000.0248 226306.8349 263336.0425 208607.6481 234401.3195 183194.8722 193178.1737 163610.3459 196698.9966 173636.9674 8027.344112 7874.089593 8178.895526 7828.84895 7507.648874 8356.216013 746.2551316 1891.310567 2677.458745 2221.474649 1989.207174 2166.028525
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 15-(3-methyl-5-pentylfuran-2-yl)pentadecanoate 74471.69448 76911.53041 81012.88118 74399.29686 71361.69921 69190.03164 22569.89608 19295.87884 19202.2393 15982.24465 24803.47626 22855.19775 1868.950293 1753.967618 2415.804026 2291.59954 1876.890125 2221.357793 695.1805526 52.06939689 260.3462233 594.9770318 26.71538818 23.14193136
[1-(4-hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propoxy]sulfonic acid 68951.13665 73239.87432 71786.69687 65602.04685 63539.64984 69750.99782 17055.52371 19915.86445 17118.633 17974.07871 19510.06545 13944.87333 5419.012693 5606.176718 7232.307452 4185.699221 3733.407147 175.2825131 247.4953859 1912.484581 773.5940634 1655.804216 260.008122 1014.251169
[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid 36429.01073 34998.40215 35612.94528 33670.74837 34226.39199 45157.61791 29631.20013 29689.91557 31976.72025 28485.60314 27407.46213 28306.10568 294.3300719 2687.84296 203.7108295 542.9835434 84.72594641 213.2881661 606.1566864 664.5456682 331.1679695 181.0550349 444.2614728 114.1293965
[1-(2,4-dichlorobenzyl)-2-methyl-1H-indol-3-yl]methanol 2604.396854 2149.033857 2255.458788 2527.446761 2591.320782 2203.394886 2708.681689 3186.975868 3260.06323 3783.878832 3474.929385 3166.093522 4171.826913 2274.775168 2091.923639 2303.384107 1957.890193 1838.304295 2242.372385 1946.805839 2284.83182 2185.301509 4465.646566 2757.347933
[(E)-[4-hydroxy-1-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate 7505.209205 8194.928912 7672.873272 7928.452953 7733.002567 6405.06568 2089.54249 2043.081916 2564.392663 1535.220169 2269.674605 2340.713955 932.8388151 555.1065478 418.1366315 355.9298335 240.8814884 480.8157029 477.2286422 586.8559365 343.84505 461.4950609 789.8250367 875.1354548
[(E)-4-[2-(2,4-dihydroxyphenyl)-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-4-oxochromen-6-yl]-2-methylbut-2-enyl] hydrogen sulate 1434.192081 1597.121672 146.9260955 1124.625217 1377.330411 1552.737127 629.9857543 1713.962432 1892.858611 185.4736947 1739.1104 312.8541452 20884.38316 15250.77071 17706.80325 17502.38512 20774.25069 15065.86497 30517.5973 22361.76226 26272.02925 24348.45625 21390.2557 24443.3531
[(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate 2161.77794 1781.275974 2661.049551 1538.412159 1280.001223 190.9443187 1213.703419 1505.863114 459.2533369 240.9205456 1168.006286 1223.418936 5820.706484 5847.601164 11604.77743 6633.496848 6954.942512 5525.089762 9197.795494 8830.096341 9716.296578 10031.921 9785.521302 9772.211785
[(6-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid 34389.03777 25357.93874 28787.9444 28210.23454 30367.53322 25441.94123 230335.5831 104075.5166 182635.7938 120522.8535 142003.6867 116021.3171 875.8455439 1691.593808 15235.18999 21122.90907 15917.52741 1318.330857 50.74775023 22.70294391 158.9203878 297.3640654 247.7291703 340.0213329
[(6-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid 77615.85042 77260.71783 76455.89885 79442.9213 32392.81131 30033.52783 124913.8985 118005.6734 99047.15936 118456.9325 130009.9651 120383.7279 149013.7287 166863.9424 155876.2755 115969.5159 120345.9897 150100.4862 48465.49541 45964.08004 60291.55163 46056.74982 65349.19903 40770.041
[(5-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy]sulfonic acid 2801661.089 2786276.229 2609350.971 2785458.423 2613085.539 2621708.331 2769525.171 2832523.577 2790609.727 2835445.371 2923910.95 2811120.85 101702.7869 310.8538353 66.08760709 88530.99742 173.3074158 94980.24225 46225.47174 9725.518337 1268.515911 54310.16361 256.9755613 48873.20746
[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 10866.30852 8462.392827 10395.54687 7682.227481 8204.54133 10870.82566 6520.028603 6790.7223 7182.940507 8801.449747 8095.908955 7508.48012 1373.335914 3850.486788 4910.885361 3391.706779 3837.320311 2108.503143 11609.35502 8729.149051 6547.523398 9848.31204 7961.66985 6061.833074
[(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] icosanoate 3944.451524 3643.394657 6149.356298 4887.415044 3174.800953 3958.499095 6552.292164 7379.94381 6172.209419 7217.269158 7876.784876 5969.638905 633.7583263 753.884561 570.0265869 615.1159362 557.5848907 764.0413075 166.5236529 108.2190125 38.03981967 147.4068608 122.999197 169.00597
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4,5-trimethoxybenzoate 1066.255257 912.2209692 3714.067948 1768.003106 584.5010276 585.2678602 85.55408521 322.6155824 106.3602073 195.3694793 355.8728818 21.36846934 376.6707778 185.7294249 260.3141704 580.0005751 911.5226267 205.65157 233.6430042 117.2854312 526.2585109 226.7294014 373.6291534 354.8919324
[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 2270.574769 1534.195036 1135.84861 1618.67648 9358.412728 2956.137956 1547.462602 3093.660318 2394.314236 54.84980356 3583.981326 2547.204183 132191.9897 122594.6623 129370.6395 132006.72 126056.8278 128139.8492 211837.8351 214785.0259 215864.4551 218953.9919 221283.548 227719.7805
[(3,4,5-trihydroxy-6-{5-hydroxy-7-methoxy-4-oxo-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl}oxan-2-yl)methoxy]sulfonic acid 270800.1821 432211.3442 371026.2719 434906.0041 410169.8833 261318.2568 132800.7829 127393.4319 124892.6398 124462.1624 126395.9194 126934.6114 329.8571031 417.1431806 308.7929795 18970.01345 14941.02483 26488.37853 316.3605029 6696.05511 172.7420328 158.4651601 79.94675718 168.0072178
[(3,4,5-trihydroxy-6-{2,4,6-trihydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxan-2-yl)methoxy]sulfonic acid 228032.111 245463.8062 253224.8767 251052.8692 217581.8728 225199.0318 99585.95201 102093.5466 83678.55463 95039.79784 100086.9719 92595.98857 152182.2683 152393.4688 152390.28 153963.2601 158163.7769 152389.0961 78215.51549 60292.6662 80972.66852 62345.78284 75851.86872 79490.17547
[(3,4,5-trihydroxy-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-2-yl)methoxy]sulfonic acid 298.7711848 827.0437563 401.9134144 2753.457006 544.446556 435.4021727 545.0038942 439.9707315 1994.206802 618.4719485 709.2241794 344.1108484 9495.771716 10494.82177 11893.78109 11911.52503 5357.278527 11327.9432 2989.226816 3359.349661 1895.564037 3385.611671 5291.655849 3313.10991
[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-4,5,6,8-tetraacetyloxy-2,10-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate 429.8268725 778.1796586 541.5050846 943.704448 417.0091327 656.0859787 72.25972658 202.8279356 129.5300945 151.0906428 176.9548515 110.906752 1.599849417 74.8957777 40.1022683 2.285496874 62.78879543 51.99590808 4.532901334 4.875722105 9.541970359 19.84849593 0.723741736 28.03584237
[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,10,12-tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]azanium 9.509606591 39.9169482 193.9634282 28.52892323 137.6743622 164.1674293 20.64323844 164.7117506 128.3829276 25.3589397 204.0570629 194.1779994 248.7777138 282.8231579 27.82434558 279.8291423 143.9351923 74.55052272 900.8822485 972.796693 1020.268858 1109.1319 1166.273462 586.4867005
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate 504.4378453 453.3730805 259.8577328 97.14951035 372.0947688 603.6438935 136.4475903 232.5014873 84.60353416 720.1927693 574.4304945 33.87317821 12934.46623 16521.74752 15707.9607 14485.77943 15210.01996 14408.55823 17076.26716 20395.58085 20384.72105 19223.37528 31490.58938 19342.87463
[(2S,3R,4S,5S,6R)-2-[[(3S,4R)-4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate 38193.48978 33180.4351 29542.33301 29576.95654 29243.68263 26279.27778 20524.75338 17959.46855 17755.52488 17053.93224 15991.92664 13828.38844 25124.03853 24345.26216 22714.22212 23470.37188 27021.99093 25586.93914 6907.204493 6963.590536 9695.841172 6600.949497 7508.235743 10295.63783
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate 10638.10925 14522.92872 9051.139974 19770.71281 9702.617285 1547.306239 9434.388401 1741.860199 946.6301316 14205.22607 17662.92419 670.3502426 42218.85299 47018.92377 43759.86493 35435.72591 45101.5836 41229.39833 39431.32533 43900.02923 45011.7695 45660.28183 44664.40748 47200.51338
[(2S,3R,4S,5R,6S)-6-[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate 111324.1059 107393.4465 110033.6627 160853.0696 105614.0691 106315.7214 127586.9765 122360.4918 126157.9793 120874.988 126092.3393 124316.7052 455377.934 461029.2226 429314.7832 604307.2191 507261.9826 447257.8779 43552.36227 36898.8891 44430.39428 87980.5409 44747.14083 106234.6211
[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-2-[2,3-dihydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]-4,5-dihydroxyoxan-3-yl] 3,4,5-trihydroxybenzoate 81394.94877 78886.19727 81070.96673 83760.61281 77461.34485 79824.25162 93616.49648 93289.42315 90815.86963 96375.32002 105314.4327 98501.28221 3145.342582 7483.087824 266.2158354 6655.494027 7202.820097 6435.545942 4526.546394 9188.77195 12856.95163 2410.26221 2529.761926 8132.200689
[(2S,3R,4S,5R,6R)-5-hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate 10562.65963 15413.54736 4167.423958 5540.427467 6185.937225 21887.5467 46365.55557 55428.40328 55649.7103 39114.52787 60794.14961 31410.78066 143823.1676 147770.131 131384.3176 156033.6229 156764.039 155855.8244 5462.673814 2708.592186 7769.62594 5500.564645 8133.764007 8520.055078
[(2S,3R,4S,5R,6R)-2-[2,3-dihydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate 106.0617631 600.0531691 399.3890228 614.5905538 113.3399667 317.6756701 146.3720797 236.0126924 593.3675823 1270.738691 168.6762738 724.7072652 19464.75468 21030.36548 37496.71619 33113.88077 15303.49737 18262.66938 12125.88529 12074.61678 11210.01115 11489.4981 11540.41046 13458.22015
[(2S,3R,4R,5S,6S)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methoxybenzoate 5128.391078 5072.04333 5905.165773 6425.890368 6587.978565 6378.207799 1604.515882 2567.212815 2338.366203 2466.852236 2858.994129 2034.179395 638.3626646 582.1318841 9.604956403 586.9513244 691.1675161 636.0740631 195.3469687 741.0394207 4.337730537 311.9799938 730.396226 591.6744343
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 25626.49948 22414.74273 23544.71735 25651.97526 22568.7453 22528.60466 13672.6844 14435.8805 11944.74693 18621.34469 16045.79144 16964.3708 834.8651229 508.3349879 461.6141364 627.8455584 458.1724675 518.1425985 281.4414949 103.4222307 429.5399441 660.0508634 350.3428634 385.5809205
[(2S,3R)-4-[[[(3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-1,3-dihydroxy-2-methylbutan-2-yl] phosphate 52967.93364 54499.44223 52499.07944 49702.98893 53241.25298 51817.55013 52206.19729 62590.74777 53577.89205 52028.83495 53919.5393 61345.58712 464.8266313 308.8120574 397.7294599 403.4991859 83.46641779 284.4299883 3952.781153 2927.571735 38.47895423 191.6944944 2875.889854 26.25584788
[(2R,4R,5R,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate 47484.71697 47729.81745 56352.89309 53809.23059 46260.43177 55898.15212 36729.23221 36849.35605 26883.17507 29751.97465 38441.79442 35520.13011 194.3521111 1616.071003 560.1818913 191.2928107 118.0103395 118.4478931 156.8993308 792.4973445 99.63097858 20.97965675 604.9802974 55.36311064
[(2R,3S,6R)-6-[[(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-14-methyl-13,21-dioxo-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-dien-15-yl]oxy]-2-methyloxan-3-yl]-dimethylazanium 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 67604.53807 67360.45391 70221.46473 65446.75698 67275.5264 7661.122975 7711.967306 8518.009211 8119.061492 8098.036621 7732.680673
[(2R,3S,6R)-5-amino-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate 19576.01575 21311.53211 22623.99482 22410.60531 18335.29718 23567.42747 27043.91003 24999.0843 12337.79448 38964.32295 39892.97068 42022.17338 199.4897195 196.3100254 378.8121395 1538.86858 154.7575182 214.8061846 20.1660391 861.5393254 1244.762214 54.11635866 166.1789288 113.337821
[(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate 4321.239163 4584.577791 4357.72947 4738.003026 4022.733459 3278.125892 1584.53388 1755.208585 1013.491302 2748.554172 1631.635261 814.4565038 1391.783721 1389.177955 644.1659724 715.8821984 305.6316859 276.6061711 952.6842406 350.0142795 824.1344567 167.7144303 372.0684817 391.3339467
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 145473.9957 132983.7268 125507.8145 130763.8941 130166.8824 126862.2407 204207.6993 206313.9653 203117.3897 197455.6897 220109.5713 210705.8302 2193.910375 2591.263437 2546.376623 2330.284242 2797.865777 1850.654008 1877.36042 4855.41734 3821.373311 1909.429141 4004.059054 3220.316741
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-5-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate 206.495656 960.9320948 3377.700518 138.9745423 256.8955594 475.1265629 9007.46168 10122.67032 10185.61225 11428.58625 10230.93319 9572.773732 788.3896348 295.9287094 355.5136078 141.1572158 430.4212209 392.28056 522.8918202 319.3480904 968.2827831 242.6497013 209.7179606 470.174548
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate 468444.067 468745.7305 451345.9351 461011.9593 434842.0606 452337.4016 499129.3989 502845.4841 493911.808 501662.9295 527041.8733 500545.7497 668.8232336 382338.5709 380958.312 375.3860676 370135.217 719.051582 285034.6455 276563.4635 293903.6122 289719.0429 283965.4522 293247.9686
[(2R,3S,4S,5R)-6-[2-[3,4-dihydroxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-oxo-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 30313.43534 29988.35847 27268.01841 37486.89097 21739.92075 28307.77128 30373.4849 32487.2517 35712.83086 37797.92421 26309.25237 33457.61983 8819.370177 12837.56133 6639.818051 1592.206523 6101.352083 4071.262751 12678.06013 1731.802508 882.1767886 1794.370597 2077.875435 2502.569512
[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentyl] phosphate 1589.729533 230.466172 869.280287 149.4111199 222.0635831 1000.986321 564.832392 538.2187568 553.857832 504.1719824 735.8353427 294.0967623 6901.924305 6958.682715 10535.3304 7528.851905 7763.762278 8055.655762 25431.14782 24647.57281 26117.44027 25519.69182 21581.40023 25237.06436
[(2R,3S,4R,5R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate 3199.707282 2789.050293 2918.156534 2971.111039 2653.69987 3050.005836 2296.575816 2380.433122 2694.540288 1996.126061 2719.632274 1960.546545 45131.5204 46272.73625 46105.66993 274.4430525 44795.81713 46047.54028 34496.47506 33471.24558 35569.84665 35063.40683 34367.07536 35490.49701
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[2-(methylamino)benzoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 283.7874542 200.9183565 160.1978233 256.4548729 235.1395252 359.5326445 317.7743267 286.5491888 217.2679998 96.53137243 254.3304984 225.3234119 102.4462659 1251.345408 348.3509509 573.9686547 645.4083405 370.4922797 763.8389348 62.75266047 2708.087804 1855.954376 2383.174736 2715.505175
[(2R,3S,4R,5R)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 3769.61421 1523.383707 2223.503382 12818.34213 2169.754553 3803.590518 4246.695516 4484.098732 4004.392016 3161.544647 3137.56622 3023.165434 30753.98927 30509.19165 31125.97731 34206.68754 30883.02612 33366.37058 31938.2032 34463.23528 32545.55218 34061.06356 37124.92053 34152.66394
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate 7791.142139 8527.673199 7886.279964 6672.433005 7152.107457 7954.972609 7826.487691 7553.259137 6036.731892 7662.875204 8673.376258 6419.417913 647.6369568 578.5493862 579.8354837 715.6251031 457.7431824 343.9832063 40.82132491 552.2098565 22.36295515 187.4216614 472.6413249 51.11535873
[(2R,3S)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate 591.2297132 125.9506792 169.5354604 265.3830334 200.5607338 1137.332552 862.2569724 236.6669598 1070.215256 398.3125753 1159.382713 104.712266 19733.54018 12091.99355 11424.33097 15425.24946 7142.410892 9612.553927 20576.04376 16669.3449 16789.60379 18537.54657 18027.02299 19939.11504
[(2R,3R,4S,5S)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 4821.050326 3534.772632 3674.51359 3046.620279 3441.721882 3796.976342 2149.555244 2393.988187 2257.445982 1918.155372 1731.705246 1363.118712 302.741838 424.5680285 130.9101387 216.7448427 246.3312184 219.9107967 184.9993936 147.466036 140.5024806 108.6141631 65.16331951 130.7020622
[(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 16110.99813 45657.57565 29955.79147 32862.63076 33738.1524 15445.47172 49734.16949 47018.61378 51237.35345 52456.56049 47975.41332 50046.34347 239.0927653 2877.721532 2257.768285 190.8986941 2122.675114 2749.318371 955.2567728 208.4499514 248.7729729 113.2887085 44.88395842 110.5549165
[(2R,3R)-2-[2-[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 2111.668461 1227.880213 4496.551868 5899.053815 3139.655149 2003.562794 6002.139899 3238.568247 3404.817781 6764.101481 2927.277944 2927.172811 21058.46098 29484.61423 22136.53126 30774.23538 25077.3082 48590.83907 22227.39619 21924.98047 21904.69209 23195.99752 21198.40598 25871.35156
[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 39330.93164 36972.99515 26405.96912 43183.1616 27163.00438 43691.10971 141003.5234 42441.55805 41543.79581 44948.94922 41290.04634 39979.12808 1208.004142 396.7498026 6346.505528 130.0696289 291.5368389 65.03486508 1476.448923 380.4919239 2205.588639 3690.301609 1691.216903 2629.863913
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate 567.7034432 406.2952019 544.7462984 491.9992398 331.3237183 300.1681534 231.9773836 223.5391945 301.1251325 165.9080359 493.109319 424.0192154 3446.80751 4760.060451 1596.462853 1593.56713 3021.360129 98.24287999 3107.655903 1111.764535 3847.283626 1597.708109 1221.24988 2034.320159
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-pentadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate 1042.811429 654.2047449 705.6593381 1073.568907 807.363472 415.7251018 368.660232 459.6192211 102.9164812 182.2859963 664.5307485 691.7349905 201.0655321 192.8796571 127.9257164 60.49555865 92.73748145 122.176978 137.9504495 26.92787788 416.012095 92.68516584 228.9684025 180.6475537
[(1S,5R,6R,7S,9R)-7-benzoyloxy-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.01,6]dodec-2-en-5-yl] furan-3-carboxylate 8378.390437 6058.353657 5724.15634 8203.035184 8036.352855 9351.644687 1794.90278 5467.273553 2837.562518 3586.777252 4565.846542 2643.281407 44.08004577 62.37850121 16.60549854 7.095057248 181.0936792 65.21378494 49.93447617 70.25431342 17.32738725 48.00453387 92.08551217 10.71154174
[(1S,4R,5R,6S,8R,10S,11S,12R,15R,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate 81217.11839 81269.4197 78252.70684 79928.58137 75391.32546 78424.60367 86541.3632 87769.81539 85632.92169 86976.51067 152.1657034 86782.79068 1671.665465 429.2987769 952.707731 463.8163454 755.4859618 946.3671672 1493.14011 614.5031801 1934.413215 2042.202958 1703.591399 1800.069513
[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] hexanoate 1038.578968 756.0355511 454.4018379 776.5469053 925.7736411 975.281638 4719.27394 3680.952288 4648.604264 5067.637639 4764.771945 4321.488872 7416.846123 7677.842338 7199.995487 7737.772382 6905.239851 6667.936826 9389.784832 10055.96578 9507.524765 10491.86977 9087.610833 10387.69558
[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-2,4,12-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] acetate 31.44424632 4.935981098 931.5027759 3.107837445 3.656280454 705.2227021 29.79824958 2466.764591 1957.786871 24.6797279 13.16252143 29.98109254 75033.73231 46422.0409 40341.71715 48893.65666 43032.66072 51095.58323 180314.9773 177066.6918 160467.6452 181854.9454 188023.4104 163864.1768
[(1S,2R,5S,6S,7S,8R,9R,12R)-12-acetyloxy-7,8-dibenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate 183.2945847 324.6645573 247.3285581 162.8574256 178.9033676 168.8293731 214.8537925 147.9583656 86.12271321 157.7392476 320.1956459 204.5843925 3317.100527 2962.728258 4530.277149 3793.074032 5079.151186 4834.723059 641.32862 1390.171284 1268.605078 861.4299627 1140.832075 1515.993644
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-methylbutanoyl)amino]propanoate 235.6368896 106.4669868 184.0838061 94.38705098 52.39563054 94.58418238 33.26099774 129.9679403 284.888075 169.2505881 98.76157173 30.58749981 612.2614237 344.1017817 177.3568471 383.9730446 577.6377544 698.4807034 2953.174423 2418.325025 2818.158366 2351.539543 2923.559967 2536.196499
[(1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneazaniumyl)-5-[(3R,4R,5S)-3-[(3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylazaniumyl)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,6-dihydroxycyclohexyl] phosphate 311.6327226 343.1563802 1005.933399 1883.250866 850.9839647 796.3363094 316.9519553 1346.819689 1415.343248 3076.845727 952.3288378 1221.929222 3849.354383 5542.069786 4682.768403 4472.233084 3503.611148 4985.313072 10768.88613 10334.64423 11104.14801 10985.80952 9391.74548 10315.34901
[(1S)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo-1-phenylpropyl]azanium 418.9101211 990.8048924 404.2290515 181.0237874 493.5320125 184.0461718 103.4395734 485.1930018 545.4214471 474.5013256 1081.062084 549.4737127 11586.89296 14303.72199 6929.957888 1812.570959 4086.107775 3939.685875 13627.55255 12982.34364 15483.74788 17268.23595 13643.01793 11355.6552
[(1R,2S,3S,4R,7S,8R,9R,10S,12R,13S,14R,15R,18R)-2,9-diacetyloxy-14-chloro-13-(hydroxymethyl)-8,18-dimethyl-17-oxospiro[11,16,19-trioxapentacyclo[11.5.1.01,15.03,8.010,12]nonadecane-4,2'-oxirane]-7-yl] acetate 2396.032266 2595.920729 2778.172906 2811.714382 2807.793066 2234.176872 1485.384187 1416.036163 1660.750456 1091.016531 1525.484617 1773.050772 637.5722889 898.206275 1100.922663 722.5925674 1050.127957 803.58587 233.2236774 118.160804 195.1263346 315.6119957 40.26476206 217.5839867
[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl hydrogen sulfate 226.1329721 2784.657007 3395.599044 3601.63962 2704.443325 3226.756673 1907.286759 2546.998608 113.0660677 114.6523908 81.8376213 148.4272424 31161.38087 31817.61891 35365.85758 32267.66067 35844.46668 33901.00827 26207.72039 13370.09494 26683.38588 27795.1868 23756.06145 21800.19179
[(1R,2R,6S,9R,11R,12S,13S,15R,17S,18R,19R,20R)-19-acetyloxy-17-(furan-3-yl)-20-hydroxy-8,8,12,18-tetramethyl-4-oxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-11-yl] acetate 223.326305 149.5561266 265.581123 288.3252791 296.3623593 304.9186379 289.483905 349.8683559 239.4314081 570.3051701 424.6971934 235.9008749 4039.120384 4754.377507 2979.892573 3592.643894 3858.709707 4210.304277 10864.68474 8522.037524 9383.512462 10643.5054 10019.99354 10237.21352
[(1R,2R,3R,4R,5S,7S,8S,9R,10R,13S)-5,7,9,10,13-pentaacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl acetate 4768.283045 4419.180169 7130.958717 2916.302198 5567.143753 3588.650239 11753.86418 7927.013783 7213.930923 9235.111748 21774.58648 7699.865689 99056.10637 82476.53803 101586.8749 100291.8327 93332.5207 86876.90619 207474.3948 216142.4326 218371.2241 226945.6907 206781.7211 225325.678
[(1R,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate 58068.12454 107575.5153 47509.43007 45607.93113 41588.36621 39782.98653 41162.90457 85438.36796 36523.94448 39648.31186 39127.43107 39438.94426 383.7212015 152.3281087 146.3244324 15.23289918 112.8879566 46.26135062 29.41000697 34.51455935 44.41654815 68.73939764 50.82941508 17.72127729
[(1'R,2S,2'R,3'R,5'S,8'R,9'R,10'R,13'S)-2',10',13'-triacetyloxy-5'-[(3R)-3-(dimethylamino)-3-phenylpropanoyl]oxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl] pyridine-3-carboxylate 232.7261253 40.58355228 401.458352 59.64839698 275.0763485 378.7766756 238.9700897 154.0284065 199.7081809 242.5565363 123.8263623 259.8268915 636.6600836 2060.873299 2259.67162 2046.347226 1389.404343 2438.403478 2771.937259 2881.34994 2414.618407 2850.497814 2497.791939 1360.202536
Zeanoside B 23051.4124 23559.37855 23507.31255 22160.53514 23166.17136 23769.65263 48685.97614 43705.36619 45335.11936 44015.66784 49066.28608 44471.13058 289452.788 289580.9679 288033.1901 302521.0164 286489.0528 280952.2279 293023.1791 271915.7545 301271.0475 274383.4557 276772.7465 290834.0906
Yuccaol A 392.996937 399.6949658 970.7801267 681.8409281 776.3029283 1037.527245 2132.378426 2003.661027 1380.217685 1568.198488 1240.465799 1477.170148 1166.350403 162.8706928 187.4189491 193.9652889 18.40457778 33.3708929 260.051212 125.4424458 158.7388384 149.6537696 208.6565436 180.6154986
Xanthosine 5'-triphosphate 314.6539039 317.5430966 253.6383864 268.6648903 218.1128621 43.59419359 153.404371 27.08114847 121.7821457 126.1586948 110.3881872 232.1706586 2154.653866 2369.726415 1958.013236 2086.569603 1321.856589 1354.551019 1517.494877 1600.350563 1835.110942 928.2728721 1333.985671 1959.846393
Wuweizisu C 1229.879146 736.6061543 1369.204285 1394.705679 1498.17635 1438.266181 681.0485423 756.5751497 1113.801005 846.1615234 1258.843485 924.5683553 800.9530234 2374.903715 759.2313633 756.9783283 767.2807272 855.7745597 348.0921784 378.7697876 408.8859989 340.2798303 503.4177471 500.7602279
Vitexin 27057.50894 23030.0211 22009.28488 22855.86048 23370.76756 22577.32906 23126.04869 21444.15567 21116.1238 23668.76879 24363.91327 24963.69893 10903.89578 10109.31073 12141.38378 12068.33769 10715.20997 11244.22891 7632.336927 6600.046625 9108.395345 9789.389689 7379.026018 7746.684036
Violanthin 74809.32949 74789.60443 71241.28505 78378.3005 71068.81207 67780.74669 68642.99283 65118.4713 66692.82648 61075.3731 74182.12654 73957.93441 82175.9921 83835.26016 79202.57869 83988.1813 80892.01654 82373.10443 39039.80322 38278.54769 43509.60695 41399.22847 40429.25901 40978.41392
Victorin C 620.2978806 4282.49789 282.1964827 1156.009359 185.2717936 493.4189462 2057.079667 2494.301327 625.6257961 1909.026377 25369.77005 1120.754155 52866.83542 58428.99529 51094.80589 56335.06053 61582.9921 50496.81787 73788.01449 58498.8697 78941.05089 83481.58639 75111.17272 68314.6458
Valorphin 305.9823201 119.5986302 85.83579761 7.151266543 250.0861049 147.1755008 55.20637439 89.15721146 196.2269224 259.1283173 33.73215036 105.9773544 334.7323418 265.5256973 230.9799725 154.6042261 110.9845757 168.5389073 356.7267297 265.4517895 264.7187061 319.4730008 247.2666004 285.4930751
Val-Tyr-Glu-Lys 39593.78982 35567.22773 37702.35141 36866.16231 30480.75581 31706.93628 32484.06989 29349.3215 29493.86203 26597.56103 26531.3802 25819.86059 19707.53133 22637.07433 22492.61485 22721.85365 22356.23897 21028.22771 21632.93727 22225.82377 22107.57464 22887.9268 23105.26827 24378.54612
Val-Thr-Phe-Glu-Ser 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 1019.089901 1202.49187 1426.52699 929.2087691 829.7801127 714.6939208 2556.732341 2717.539647 2537.970735 2994.452012 3228.193988 2710.850532
Val-Thr-Ile-Asp 737.0616995 443.032357 519.3870077 552.2133409 419.4897097 974.2911957 424.5881998 592.7724049 361.1573946 617.6514702 666.2136698 753.6341657 9318.889155 10127.80762 8707.486461 9045.429037 14281.57832 11596.77785 22884.26093 22641.235 21135.78742 27988.26815 23707.11554 32773.57351
Val-Leu-Ser-Asp 526.2895898 301.0471811 716.2321757 673.969412 704.5962979 537.4789465 639.7983794 45.05815931 451.1637985 633.7045817 285.9573179 730.0986235 4985.680884 3986.052075 4146.42846 3831.116177 4339.805805 4010.679468 7041.272758 8663.015597 6956.913847 11041.00397 8101.668558 11139.10151
Val-Ala-Val-His-Val 9512.686545 9274.495965 9493.457507 8698.167477 9919.494898 10120.66504 6710.66097 8293.568206 12857.21916 11692.26874 9035.867887 9041.260968 67091.06144 67503.15915 61061.06804 63838.9204 62221.78168 65009.73537 177565.3886 174964.994 180275.3628 182032.8889 182193.7553 188264.2007
Ustin II 8611.413515 7228.642179 3695.064719 11158.83291 11577.34166 10266.39907 3136.282883 3701.383847 2183.086808 4839.695461 2547.137328 4230.454416 178.050406 261.8248988 188.5583023 259.6161032 311.8662029 237.9611566 101.8206132 298.6687844 1002.414277 190.3069205 26.39798831 90.23735046
Urolithin B 3-O-glucuronide 133192.3773 127977.0783 127648.0216 124750.3221 124234.2236 119045.069 137413.6974 136495.4861 146940.3503 145026.0629 136180.0021 150956.4745 21400.64189 26784.69338 27940.76074 20267.6726 19313.72636 26311.55859 9884.284748 8548.339008 9226.730841 9680.493737 9400.358766 8689.211688
Urolithin A-3-O-glucuronide 36355.45272 33375.01794 34495.77547 30692.54345 33241.50881 29209.38857 36811.78405 40758.41854 31705.24623 36812.12859 39249.59786 39845.37147 3696.98951 1450.440736 1613.058594 5111.874798 2181.454137 1681.903656 2255.324772 676.2533702 2357.536697 814.2324126 2253.498695 226.9175484
Uridine-5'-diphosphogalactose disodium salt 4695.266656 8504.288341 7771.31498 5770.199791 5461.786623 6065.163884 10865.73648 9987.56174 7069.250691 11778.8804 8991.01735 8979.932201 18933.90243 22362.87681 29307.00149 24503.9345 26678.98812 26376.69295 13296.94206 11920.21566 17571.31677 19369.07657 15327.03165 18411.65675
Uridine-5'-aldehyde 14822.87714 15358.27451 16516.68613 13505.45224 12236.59907 13534.57477 12176.94477 9208.758617 14753.98661 16431.83848 11965.98895 14881.57931 14571.79897 12412.85565 14331.42751 11159.77402 13998.8429 20638.84022 17829.4764 29021.43146 20211.36655 24356.97639 19701.47358 50603.83681
Uridine, 5-bromo-2'-deoxy- 2707.118997 703.406222 278.2575753 65.42065618 144.4877113 138.6927337 58.268138 86.87928315 57.74447891 15774.58534 28685.00176 102.9280019 266904.6241 291314.6399 316874.4736 338951.0826 311627.7451 319512.4101 264958.0004 5182.643777 270827.6177 271824.0295 269937.0293 258089.8103
Uridine 5'-diphosphoglucose 504.5178571 1429.420683 250.2911811 1267.020866 863.063971 2020.585843 3502.947511 2064.189775 2772.192249 2014.188732 3180.140806 2311.494679 2182.399596 3929.83117 2200.614265 1357.072139 2809.381666 3800.273832 4812.591809 3215.882984 5909.059429 6403.195956 7499.864203 5318.041997
Unii-YU544603T7 6207.909083 6125.805539 4712.196219 6548.188112 8200.306674 5820.290123 6462.642714 4299.49914 4336.673933 4717.23565 6281.727774 7727.527138 125217.2308 119665.2137 121159.0232 125696.446 120887.5468 122576.942 134529.5498 130610.5311 134458.6526 138786.8975 133284.9639 136786.9774
UDP-N-acetyl-beta-L-fucosamine 1187.279701 1520.417167 372.8997952 511.0598827 480.2451039 774.9534542 360.8056219 664.7855851 365.774554 675.7173381 473.1213781 903.9956309 13604.30159 14504.34394 13282.67385 14065.97611 15917.42574 12214.69884 13695.34164 14777.4087 13434.93645 11869.98539 11386.84152 13275.02437
UDP-N-acetyl-alpha-D-mannosaminouronate(3-) 533.2880195 212.8864129 714.6653521 196.958316 805.3232119 272.3495662 332.0444435 464.8800081 321.930389 293.6225564 349.6052821 561.7536894 3418.107833 2237.604982 3181.277524 4554.292923 3635.221217 4710.175878 33173.0861 32540.67588 33019.63549 38260.69496 11853.91511 16574.45483
UDP-GlcNAc-pyruvate enol ether 3091.246345 1966.865336 2173.79353 920.7596592 1512.618898 1508.153268 1013.451883 494.8456519 587.3476117 506.7249805 1512.292268 813.5185342 378.0110841 162.7668176 456.1336448 844.647372 311.4284279 478.5183375 151.9664795 200.0573268 163.8301485 509.5210112 493.1280348 406.9355773
UDP-D-galactose 120100.1129 128285.6221 115772.4545 125815.1664 123276.6384 115101.3184 149719.5963 142064.9842 144670.0387 139915.1767 151569.0186 141135.8897 169949.3951 157419.7729 147664.2496 190040.5723 156709.3039 196618.0132 291063.7959 332395.9671 309975.1951 361049.6078 39311.7741 358806.0147
UDP-D-galactofuranose 707.6770063 626.4750238 562.5372561 1210.830574 452.5690719 411.3157396 2447.135833 2097.492592 1786.714723 2495.498766 2392.202923 1860.956796 4368.374921 3477.367817 5400.593988 2375.19392 4562.808618 3779.561842 12216.39593 7075.934443 7350.211831 8009.816544 7010.448503 8155.261198
UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine(1-) 4108.954405 4084.207645 3018.058954 3562.61398 3480.670584 3873.027008 20668.67834 18150.14415 14717.91982 14634.44888 14226.95347 13420.35312 31248.93664 27886.96121 27181.52337 22980.13335 25114.84988 21510.27939 928.6845925 1140.160441 1307.281444 1535.730314 1181.923988 1220.627832
UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(1-) 529.5273394 892.2807885 646.5279628 273.304559 232.5289264 642.3019851 614.7855469 760.4039944 469.4628398 659.7477965 148.7746298 228.1198422 9074.773681 8497.13978 7886.624751 12351.92892 9486.939141 9486.705036 11224.48336 12068.79577 14060.18616 13231.39786 10228.71729 15314.72436
UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine 952.755226 271.1327017 199.9855915 559.6589253 894.0797105 610.4042547 2459.864727 2830.958154 2149.908817 2105.085944 3152.5645 3282.435831 79.75988269 134.6054623 406.4903096 306.9157217 112.4639989 157.5611066 82.26831246 41.13401252 24.07833681 104.8375271 38.45880483 258.8430703
UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose(2-) 14881.46484 12459.34934 12864.40318 13553.64915 13862.88521 3914.697372 64600.63934 64844.3919 63029.7831 63592.14338 70354.09561 63857.40661 2619.83325 2324.015226 1556.903197 1090.663817 662.1612941 1483.571337 1206.041636 847.6457866 1043.455929 1188.085593 442.9116311 345.4315191
Tyrosylasparagine 12096.59629 11327.41273 8136.403642 7729.777239 6480.648404 7694.111369 34165.10079 32167.03007 32414.53399 31683.46387 33776.2251 30189.60203 27071.60183 35784.61847 26045.05571 38124.15148 38220.02712 32548.92639 4690.359656 5444.210742 6608.828923 6004.275991 6401.976931 5222.385559
TyrMe-TyrMe-OH 20367.58201 9267.281152 6209.471704 11086.94863 8855.550715 11713.45279 13261.67646 13002.63046 7181.65644 10155.16226 10446.71335 8683.300061 885.2822538 68.98183025 554.5702378 752.1977177 72.66916307 23.60713728 369.6345489 81.09201657 127.5390482 273.5901257 63.46321079 71.74188168
TyrMe-Tyr-OH 4157.245329 4665.244575 4259.576727 4393.63646 4252.86059 4802.026773 6078.432337 5298.497449 4517.055019 5760.81607 5738.032972 4851.611174 3362.068628 2048.471734 1351.751025 1782.870527 3459.613431 1244.606933 481.6222517 1357.817746 1159.596217 861.3110425 2192.625623 2428.964231
TyrMe-Phe4Cl-OH 7815.962693 7463.324857 7229.817257 7777.155481 7184.914033 7511.413343 3749.339865 4094.089088 3727.883798 3070.480731 3329.966671 3092.844103 14624.84745 15086.23138 14425.065 16134.22982 13750.66892 13423.01529 15643.83475 13754.92687 12527.11293 11864.80199 12652.58892 12791.41646
TyrMe-Nap-OH 16793.20756 16341.92144 17832.30838 13733.93095 16041.57723 15359.29181 12653.33652 11039.02725 10942.02351 11502.08028 9641.770396 11304.66868 6294.30784 6763.978714 5558.109844 5362.21104 5907.304288 6156.014402 60.08656474 235.1210874 1821.659222 1454.221946 1205.302314 475.0330183
TyrMe-Met-OH 1679.844098 1187.398512 2305.296696 2801.301451 2047.903496 797.514806 1011.813644 1423.906046 1017.271179 679.9292421 2298.81422 1566.877803 219.6089548 62.43003212 106.841763 5.462619747 71.06973256 31.66059197 260.0813699 14.46489518 157.5202877 2.731309191 12.70898227 35.75767746
TyrMe-His-OH 627929.2268 599915.4684 604281.7035 595413.6789 603811.9572 603286.6981 546944.457 547896.8745 554050.3063 558671.3241 554939.9961 556781.4434 49916.78227 52554.66829 46086.91324 43402.27164 57313.46415 50942.01956 73.76949963 12.8294391 14476.45404 14788.04479 18416.54335 15850.51737
TyrMe-Asp-OH 27997.45216 29089.35854 27469.84544 30578.48191 27314.3417 27627.07747 5046.009371 5142.657087 6020.117357 5236.803885 5846.281106 4208.062115 1918.11716 1911.28611 880.4324215 1285.359352 1032.593489 1215.553359 398.3442231 553.2207411 377.982137 540.7575835 20.05195717 459.1700242
Tyr-TyrMe-OH 2132.378884 2576.20607 2828.878453 2746.750523 2679.901696 2594.743895 4954.549197 4990.0712 4815.5074 4759.132371 5076.418061 5090.330115 107.8002326 79.53905237 43.75875092 233.6978106 70.41597515 98.31984587 86.17975196 276.0490062 196.6091491 206.6109377 482.454221 6.4842647
Tyr-Pro 12515.80923 12062.51954 12000.35138 12797.65794 11069.9075 10874.93597 17334.43179 17748.90559 17207.39573 16887.13197 16708.42371 17425.58341 17792.46337 21175.35431 18828.07106 21747.63178 20882.56213 16669.74649 6001.577397 5424.378177 5596.880551 8607.484766 7338.208797 8535.337199
Tyr-Phe4Cl-OH 16084.15917 13396.13995 16186.76317 10666.35761 15641.34021 10511.86857 2211.369064 4337.014554 3167.973201 3242.305637 4909.092003 2799.750211 17.13482932 1068.843693 603.4601007 29.47047573 775.0169559 871.6164927 67.22279989 59.90898422 76.63393916 31.51398583 14.73523352 36.89168833
Tyr-Phe-Thr-Lys 3729.889598 3784.568052 3469.31998 3364.938446 3638.557598 3655.211711 4064.157822 3920.203307 3882.398409 3846.615008 4702.835722 4117.239245 15855.32281 18129.92163 16803.68866 17325.80472 17439.72773 15568.0598 14938.94807 16222.04739 14686.50286 15485.69173 14777.49123 15776.33006
Tyr-Phe-Met-Arg-Phe-NH2 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 5034.574831 5033.104282 4734.434865 3705.535615 4762.651875 4297.732721 11113.75275 12367.25282 9824.039455 10401.72191 11585.7059 14768.96609
Tyr-Phe-His-Glu 1143.876933 1112.908554 1038.115925 1320.438274 1880.769238 849.4406604 520.6615148 393.9242366 500.9881966 10653.5846 304.2697012 556.7793451 230668.5531 213460.6293 222371.2876 230482.5734 219904.8045 214128.2329 56821.08244 54860.09529 55260.83312 58527.70336 56530.3514 56543.7451
Tyr-Nap-OH 6333.107971 8465.655553 12487.00722 7472.587688 1943.449756 13150.22507 5906.827714 5203.326369 6537.445161 5260.283752 9103.91985 3242.711636 309.6205679 8.865965967 21.84025053 38.99749754 150.7107723 55.04776626 195.8190025 813.7110905 304.7433217 52.74839603 156.2448822 1893.994552
Tyr-Met-Trp 3763.197253 5126.401027 3238.961328 4396.265311 4313.141103 3882.253136 7767.939375 6146.478542 4932.618588 6030.217544 9782.430629 6758.123003 476.5792342 1546.146798 1161.259442 1233.681021 1093.63484 1527.772372 1237.662083 393.9455792 756.7502353 561.2871244 853.3354218 1186.635198
Tyr-Met-OH 103758.1785 117334.1275 98371.61618 112767.4864 85336.86091 100168.3517 157279.2288 154689.8388 154673.9137 63748.06982 162999.8813 103332.0259 130992.9419 126930.71 156597.8594 131885.4607 120365.0481 120571.6359 82198.14459 79301.93272 81831.82186 83555.58465 84847.10553 83719.89431
Tyr-Leu-Glu-Arg 968.5929939 1281.70794 707.0098888 1091.608155 910.7547271 1131.035333 814.2067907 1074.558053 1056.697564 2602.135126 1185.470643 1083.05805 3427.20212 3676.384668 3156.188714 4191.752903 3382.240957 3694.790466 11978.89563 10949.57835 10969.99234 11402.11881 9607.098602 15893.26869
Tyr-HoPhe-OH 16523.22339 23828.31469 14115.88564 3392.755065 12302.81104 23694.30201 36680.90377 32614.88885 27828.69493 15403.30226 28935.33672 48605.5439 31259.51875 30682.47595 48451.13724 32537.46391 15699.59939 28983.65672 38659.51461 66818.28491 69068.50136 73766.60965 61892.1925 69001.83406
Tyr-His-Phe-Lys 140.242691 160.3581017 263.1235575 288.8298893 238.8858456 402.6903923 565.2580758 177.8383186 496.078049 479.412482 129.518463 474.7735178 3047.148295 2724.384713 2485.365563 2937.629023 2372.008275 2207.035695 6150.506298 8850.177118 11229.36472 8962.052797 5647.543459 6594.444784
Tyr-Glu-Asp-Tyr-Val 446.0201034 446.0166188 646.8320947 767.1527406 565.6566793 470.5253223 587.9444939 1526.846186 806.596401 1461.650259 663.5508706 891.3466297 8249.684192 7062.629393 6786.104109 8163.440445 7213.417623 5647.830507 7137.376493 7663.429062 12115.98011 12163.80945 6750.827257 15400.53027
Tyr-Glu-Asp 718.1176013 478.5468574 640.7471065 281.1751093 485.9497384 1512.799475 3573.552109 1765.087829 975.745617 4672.342814 4726.905248 4462.326023 401.7731639 499.5906522 589.6336265 735.3928849 168.793685 341.1620795 393.7715516 389.0978546 76.40143227 124.2259922 132.0737318 1901.775345
Tyr-Gln-Asn-Glu 71480.54763 39196.75662 23061.073 40727.12716 39758.71288 40020.58952 34679.74652 36637.90538 39548.6891 37319.6611 63810.74994 36119.05206 27086.05522 24038.26866 24904.965 27609.75773 25890.3632 24479.23865 43806.28605 38775.91841 44657.72126 49813.27841 40391.25745 56407.62014
Tyr-Abu-OH 46890.52583 43638.71994 39857.82441 40886.43392 37805.32366 36906.21538 32175.59827 31819.3058 28156.8727 30231.6461 29632.09995 26573.68333 640.6648778 659.3237894 14.35235759 865.4649575 19.04443194 1086.572951 1107.224128 2569.546353 49.40563276 24.28848654 905.3981655 1142.927163
Tumonoic acid I 335.9373242 18.53234282 24.08319505 156.5431309 279.2823109 84.61266656 215.4225902 148.1223962 65.20113659 63.33323996 46.39932019 133.5290193 2766.979712 2973.76208 3229.715789 2500.092742 2853.644073 2346.793761 8781.215798 9363.483511 10255.73317 9961.279033 9881.825762 10161.48514
Tumonoic acid G 374.6891311 212.212625 208.0356476 278.2202827 275.7594154 104.1716267 305.9434729 54.48441611 286.3784019 106.4146435 103.5659179 143.7634168 7820.245299 7804.658833 7309.941801 6799.731962 7762.461733 7060.801463 20876.25937 18801.74415 21206.91637 20773.26903 19408.39724 19855.69818
Tuliposide B 67.0537701 303.8086359 1732.374149 281.9233418 324.1812747 3344.382355 8338.068483 9546.464913 1614.551739 7338.373824 4098.608376 439.8050453 115924.8109 106431.2425 107076.5101 118592.5541 123599.8139 117672.1518 3058.856702 1297.567247 3687.969384 3569.289948 1898.620831 8300.585252
Trypanothione(1+) 389.9537842 339.0822779 496.3203619 42.16780585 189.829591 36.26118111 41.86866282 380.2407802 16.29887337 48.14902712 55.32646517 399.0513794 3710.588328 3865.525655 3935.234899 4797.142048 3642.655732 2910.849664 26657.56768 25808.55282 27959.69043 28176.65006 25158.51298 27085.4445
Trp-Val-Asn 61.92394252 86.8061536 86.94412234 12.97903866 49.29929829 90.36131015 90.1245263 61.97794587 76.77747527 90.90017296 81.89956458 33.74343104 118.2038508 212.9487049 138.1747192 373.8421314 175.6888396 134.9649917 773.8487922 799.614063 878.1046166 781.2821608 824.3663335 996.0553004
Trp-Trp-Val 1081.261074 1358.032309 1152.678416 1485.520021 1124.677733 1363.311257 4470.796034 4248.529982 3561.766574 4093.896894 4430.700322 4564.962228 1514.285316 2479.961682 3079.172813 451.3771095 3270.25477 1093.248172 259.3051044 254.7688327 627.5995074 550.1403059 1957.193464 366.6397613
Trp-Trp-Asp 6356.420505 6309.822422 8148.328769 7560.024817 7208.185922 6532.536305 6561.85933 3759.079642 1777.940949 5756.041339 5274.064401 1411.031302 710.7123785 709.513083 846.2053714 1594.276475 957.3857225 822.1710847 793.476345 695.2085955 424.2882654 597.4893098 748.140983 588.6286782
Trp-Met-Ile 640.2347248 297.5214854 408.0359354 255.4407291 410.9528709 492.2946785 774.150806 1360.771654 1217.791821 1950.787589 1515.573428 1127.14842 8374.087048 10594.92189 10600.07217 11972.32827 10247.60259 11132.19219 7679.010322 7557.686894 7957.765695 7716.428152 7441.526116 7142.935582
Trp-HoPhe-OH 626.1715353 622.9863641 70.02829344 59.97694483 343.9748272 800.2484998 392.5680316 59.20795486 105.4538438 174.795609 317.0867434 163.9477649 20941.70492 15905.66349 20843.30071 19608.73079 19771.52152 17241.78986 6080.493129 3155.920071 6743.435504 5075.975615 5203.329866 5591.074264
Trp-Gln-Gln-Asp-Glu 3726.750012 3560.067891 3860.458219 3291.224526 3548.199915 2468.292391 2223.45938 2085.710901 2574.228312 1817.833475 2419.929038 1973.424783 350.5580993 176.508943 204.6348368 172.9966002 92.15736858 260.5954521 77.87946897 37.641489 50.29691063 153.2782453 66.19749382 86.97184777
Trp-Asn 6977989.085 7329582.533 7068738.193 7475586.454 8814304.735 6325949.704 3227787.165 5380111.26 4550276.323 3798241.319 4708876.371 3579564.152 1956.505593 325.8954209 192.0032508 92.50570533 78.05742001 362997.402 87.03403438 2.127728383 141403.5134 12.00646284 23.55703468 16.43821773
Tris(2-butoxyethyl) phosphate 1218.912484 1766.501559 1468.06049 2139.410151 1424.612525 1853.872995 1860.103872 2064.07668 1843.172786 2326.962797 2087.040685 1945.922394 379.9408171 288.9163187 428.2965685 6.213217384 345.1199062 138.0766918 272.9067331 230.0218291 205.8022448 207.209587 374.6220511 268.0500244
Trifolirhizin 44372.592 48985.64591 48788.46692 51205.66661 3893.639402 49471.3171 22417.76675 21300.08864 22801.39818 21034.00794 20130.30701 24013.32754 2763.647088 3178.446431 3109.3051 2761.017656 2178.204726 1948.601658 873.6735319 840.5188816 1276.925114 1216.414163 1029.823468 1848.777295
Triclocarban 483.2254048 146.5041462 89.89862641 224.0089032 152.1558239 117.5387172 619.306219 63.05243351 239.2324591 146.7686737 149.8064134 50.42400918 8066.264289 6670.578907 7264.719496 6626.833947 6291.471495 5365.511219 16639.47194 15928.30771 18677.53128 16413.36598 15474.88401 16852.3582
Tricin-7-O-(2''-Sinapoyl)glucoside 298.2483511 425.8488528 341.9576166 314.0789955 196.5990362 511.0102327 1088.641853 1309.283199 933.7088411 677.0398018 675.6083641 657.8715374 88.21854069 99.89184279 106.8715531 3.985973619 5.479657267 8.075066779 45.0235143 44.38756831 61.76307511 47.90536135 3.009519377 6.816011974
Tricin-4'-O-rutinoside-7-O-rutinoside 17454.15749 20328.04343 17300.46684 15916.70134 17156.94925 16064.62959 6254.382369 9654.269846 7945.963748 10231.02106 10778.54747 8128.346991 48.15080815 704.2180153 760.9682642 2737.051649 716.1516246 500.9369654 455.7269743 691.8487153 107.3076568 162.336789 86.67181313 494.3699168
Tricin-4'-O-eudesmic acid 2739.422856 1169.746563 2041.198659 2551.480091 3175.10012 3349.814467 3474.646029 2818.193997 799.3469493 735.4775733 1275.682777 2965.528423 1062.202955 718.9463791 1245.253623 2059.750989 640.3970112 536.1340809 197.010053 96.25830587 328.6437809 110.0990407 4525.920833 217.3116834
Transfluthrin 1641.263004 1152.734278 1030.492117 878.7207218 787.983012 764.0086958 591.0898876 498.4739187 1043.165846 521.4354402 367.6592759 366.5484264 117.5362235 103.1135332 208.9760888 60.07671718 100.5854519 85.14052663 132.531163 128.6168137 34.02314979 51.00698434 7.420217224 29.57104979
Tramiprosate 3888.973223 4517.753537 7375.203414 4110.307964 4761.917725 6360.352626 3980.372363 3858.280801 3736.485632 3919.840767 3684.563134 4020.411245 6952.189939 4281.422582 3361.178464 4201.909035 4081.837012 2478.499485 1005.12831 3937.519877 4002.198956 4411.25829 4319.436903 4132.600602
Toyocamycin phosphate 2748.716108 2034.705863 2324.491177 1782.03808 2456.375481 2022.667526 2304.208314 1755.337765 2154.635149 1377.639028 1656.948135 1987.728035 198.9210503 373.4262175 450.0634436 309.642429 565.5695328 200.4167287 289.7122396 139.1552709 422.9574095 197.0279372 379.8060061 216.4608619
Torvanol A 508.7509221 98.44125113 391.7351109 129.1428595 76.61014117 180.4644138 142.4945141 321.248194 319.3472719 910.044821 182.6207802 1007.089764 6800.576335 5772.44491 4500.583307 8233.991434 6311.109197 8069.640036 9906.790298 11145.38594 14888.79111 8581.772504 5121.895195 9609.552086
Torin 1 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 702.4777633 558.5412663 1330.011455 212.5535573 318.754376 525.0710684 1242.761999 1805.761953 2684.00427 3096.018508 2505.311185 2664.86307
Toddaliopsin B 6060.19756 8279.575246 8307.828108 6450.892204 1603.80982 7419.236796 5289.460211 5167.356799 7017.127471 6887.898273 5688.402886 8803.488123 2806.637437 5473.974745 8324.097783 6843.001197 7373.597492 7175.987152 667.5185895 604.5576465 749.1694751 1066.564759 420.289615 557.7599335
Thymidine 5'-triphosphate(4-) 114.5820477 51.36408834 48.07173449 177.4699191 140.428623 1113.765003 97.13086975 237.5590259 1218.768989 141.0864649 189.3228958 546.4031395 43176.46185 31209.30812 32943.50914 29078.65005 27728.10203 29562.79338 28533.0707 25639.72771 28992.68858 32452.9923 27143.83545 33420.7801
Threonyltryptophylarginine 435.4090152 216.9289021 468.668998 596.8235924 413.4983852 298.978283 408.6713727 432.1108926 408.9832721 200.5117889 167.766739 560.6167324 1921.883666 1311.295898 1941.856498 1534.039174 1405.345713 1758.739001 1319.768838 1403.200676 1463.21373 814.3765997 1521.340367 1620.311056
Threoninyl-Cysteine 2244.547418 3339.433453 4296.999141 6611.611736 2086.9721 4775.502413 3239.464624 4405.542153 3200.398044 2486.22789 3950.03495 3206.895227 20270.96191 19317.40838 20244.11382 21072.50466 20991.76817 21221.09037 4032.199285 2783.63595 3368.099768 4402.43561 3198.61995 3979.111901
Thr-Val-Leu-Arg 238.7153948 343.8044391 412.1480696 258.9336382 273.2421548 242.0929069 195.1642762 246.6915768 807.3015302 240.2959052 207.2004468 168.0012708 116.1077364 1099.939427 141.137346 628.3873228 343.8844254 149.9592524 11304.3924 9935.052994 10789.06284 9923.719141 9857.916035 10581.38227
Thr-TyrMe-OH 18965.09659 19710.27421 18955.57247 18842.5827 20111.72676 20278.67136 6089.130348 8135.13208 9453.803329 9163.866846 3093.320468 1732.719282 10432.87884 11280.02293 4681.154048 10910.15719 13459.77599 11560.36713 10901.6702 10332.37791 10809.04319 11000.29686 10331.60745 12131.10484
Thr-Tyr-His-Asp 111739.3777 104443.425 115966.0282 109423.1362 109828.9138 115972.7137 80444.62156 78019.54741 72534.6243 76793.1478 81069.81065 76534.88976 1653.705881 524.3184307 805.5572159 1886.03411 689.4903126 1411.196393 334.4118042 1346.609342 965.1569814 1406.539466 974.601663 1950.30992
Thr-Thr 9099.577861 5857.705389 7331.648031 7183.909778 7215.451956 6530.263127 15967.54869 15958.00974 20325.63781 15674.15473 18056.44636 13707.48372 84188.102 55803.39452 60331.62199 70673.3598 55564.79661 65590.18299 63335.59948 200495.1884 74381.3409 218157.1813 47247.53179 59716.73317
Thr-Phe4Cl-OH 146778.7705 144731.4535 152408.3447 135966.2891 131145.8922 130129.8485 319429.4293 318141.6664 316324.6173 308963.7788 348954.9915 321017.1781 3902.300423 15941.87816 14834.28063 4031.820738 1088.260162 3833.118854 1075.27761 8598.599721 7443.960594 437.8761545 540.988016 8666.277389
Thr-Lys-Gln-Lys 810.3558772 1231.67003 1613.165228 1079.244482 1230.907668 40.28025501 543.1442384 1202.44093 677.2138521 821.9628427 655.8923651 649.0436984 4850.142311 4336.948442 4270.154126 4071.604011 4395.507972 2121.218624 44276.79446 40466.7501 45166.37486 43164.28046 41381.5515 43882.70005
Thr-Leu-Val-Arg 12190430.23 12198280.49 11745481.52 11997024.94 11315997.31 11771282.69 12989582.39 13173969.14 12853228.21 24728.69096 13715334.77 9297.239034 9704299.372 9949686.637 9913763.592 10334832.38 9632115.565 9901264.4 651636.318 686680.2659 630391.8444 638553.8101 558267.4082 628294.4139
Thr-Ile-Glu-Ile-Ile 337.5408791 231.2138123 468.5085423 216.0893272 435.795286 352.4330008 387.0083554 507.1309064 360.3800131 330.8707758 323.8747349 24.54600503 5089.683095 5458.114672 4524.73336 5671.125291 4979.253169 4595.00898 2653.224151 3339.633144 2711.772142 2681.20794 2949.80324 3558.341577
Thr-Glu-Lys-Asp-Glu 186.1612981 144.3280387 151.1757737 140.3710179 98.66446633 104.3701599 224.1472515 198.1596336 206.7753625 89.46675266 135.5184856 142.4150002 2032.510128 2237.21 1567.590725 1984.839808 1361.665077 1539.234021 316.3874432 720.4843649 550.5026413 619.2555907 790.2288504 755.4401775
Thr-Glu-Arg-Glu 781.662208 667.9675628 546.221192 719.6145491 442.8225922 410.7138785 786.6493109 583.962024 467.3020021 568.5740152 677.7497445 601.4253858 107.7626645 102.5466406 139.8103939 22.10494262 98.96807598 60.1812267 58.41544424 2.652605463 5.305234758 50.75823606 12.9315756 93.07918956
Thr-Arg-Gln-Glu 275.0444844 244.7756677 2988.562783 110.9822101 3709.750858 82.14103004 4159.569014 3715.672461 4086.245377 4666.66651 3805.276209 3416.591414 3765.675974 5779.757324 5822.246707 4868.540683 5054.428944 5892.027438 29919.46724 26238.61447 33965.26188 29716.90345 30971.99602 32324.61295
Thioinosinic acid 144786.6252 139433.3365 129540.4835 135804.2451 139755.377 123802.5949 154433.8689 150534.3425 140206.663 153547.6991 158970.0634 153813.4089 49466.41253 67656.71612 69712.39826 71476.75581 73668.37267 77834.39687 243810.8271 240454.0263 268158.3186 197063.4848 264765.1707 219711.6155
Thioctic acid 3253.062559 4991.522014 9955.36367 13757.77544 7350.065953 4621.584767 609476.5722 527086.3358 563346.7927 638165.7464 670173.5369 747279.0399 3674963.737 3313277.273 3475021.645 3459457.688 3091559.379 3235643.971 4350271.828 4151620.102 4280673.151 4290901.41 3940129.82 4113870.314
ThioFluor 623 21409.7309 22653.22313 18205.19537 15346.37443 15917.64842 21758.47965 48470.50257 47540.86415 43398.87917 42415.28448 43985.83354 45648.4254 2666.706124 3792.845229 2965.868477 3359.294908 1430.915797 2895.945026 284.5390428 1526.289125 1381.773929 1439.195787 1590.559301 1195.118437
Thermozeaxanthin-17 188.7613071 312.4777296 130.093166 88.9639352 226.1342118 146.6722627 225.7644344 204.3280181 176.5924454 258.7365416 512.5720778 176.9578827 2507.045057 2496.809167 3034.422136 2852.411084 794.3693759 3044.870657 863.5872079 244.8795594 958.5343196 758.1223526 930.1135741 534.5131582
Thermocryptoxanthin-15 729.4054937 143.5418887 161.976748 225.6608847 97.4914463 381.8706171 172.6131862 115.1756728 320.2452701 160.9788806 19.12860402 87.48731389 46.93074807 67.29142867 36.11087539 13.46746722 23.78489505 39.9946868 32.5506682 27.2609361 25.96749274 18.00604882 16.50851101 22.04556188
Thelephantin J 138103.0344 73589.61227 118822.2605 14523.52035 15020.41661 68477.04873 80473.92404 84280.29096 73654.19627 76695.73204 73708.54751 69823.02274 32091.59338 33602.52591 18953.65764 32623.69036 31806.45062 11889.43614 34093.04186 35573.76102 34945.21922 35723.84358 30986.71029 37039.07394
Thelehantin H 12.20018348 5.53986893 41.01524662 27.69922255 53.96303211 46.27813776 107.6296275 36.60064313 128.9190069 192.585475 153.4251909 136.6059478 72.82161856 211.2103838 9.930320814 205.1757414 173.1873783 51.64413808 114.7418624 43.34358442 111.5006752 82.58343839 192.4414988 55.21144943
Theaflavin monogallates 98308.71652 99719.88782 89097.64414 101032.8079 92118.15806 85300.48807 129709.8332 142024.8681 149963.5696 141072.3616 126486.5671 123570.5822 362.7908653 7487.952673 5070.309827 660.489488 1310.502922 568.5718946 6031.168594 5884.65869 1258.999306 1176.997414 6668.077103 7499.952578
Theaflavate B 2029.068661 218.5868353 1815.669472 2415.164195 965.1876303 3860.704611 9701.361861 2114.421001 5262.617068 4515.466208 4958.37082 739.6357284 144922.1467 151598.4847 136642.9242 143544.7762 140906.6055 139263.0066 141779.7753 139588.1132 137796.7428 135957.6388 134779.4395 129723.9822
Tetrahydrothiophene-3-ol 1,1-dioxide 320.5238493 1106.986606 854.7309081 1784.582233 1157.784204 278.0868298 490.9142086 792.8980414 339.2759736 682.1990954 666.7664068 728.1673998 4142.256766 6973.329838 6374.663716 7856.849379 6732.432716 7298.126397 3654.501339 4072.432461 4841.418258 3011.483491 2184.618838 3655.763608
Tetracaine 1361.088761 392.8113898 457.9877149 303.5039369 824.0384424 488.4644693 2433.864767 1507.735254 2857.594963 1594.944638 2508.91605 1210.97776 8323.958208 8614.702746 10298.61609 5684.891858 8845.683501 5305.047415 9677.85404 9435.901834 15597.44816 16846.88663 13018.51441 11098.07438
Terrestrin F 5568.185282 4933.550131 3612.705833 2370.646703 5613.630342 2758.610163 2601.153247 4271.648089 2611.329645 3834.817693 4421.938889 2965.023546 509.9991508 383.1948505 579.1600453 87.47822764 144.9628652 168.5080015 414.5100272 279.5863239 194.3585806 324.7152436 141.1200973 380.0974047
Ternatin C5 218.9792351 74.04186307 238.5116389 67.66759803 133.0054759 334.763381 1036.666639 1110.774212 2585.017317 1205.15445 992.3799574 1619.87372 52539.22157 52008.15123 51257.33093 46424.61076 64840.8835 40408.39337 2603.475752 3255.133884 3832.46003 2484.872528 1955.671963 3232.954168
Terasil Red 4GN 3497.76703 1251.3377 4224.435987 1063.046306 1330.339334 4956.61735 4941.399844 16946.49644 6041.199703 16369.87003 6463.136058 22410.71092 9533.768052 9707.63118 8501.845184 7897.700219 5703.733684 5850.885915 12781.81528 11615.33257 12227.43769 12432.41023 11912.75128 11634.78074
Terasil Red 3BL 2000026.811 2255433.812 3118905.844 2707664.313 2420360.461 3685755.015 2740522.006 2517039.67 2766036.681 2412643.875 3417486.422 3628359.201 6023.763646 811.1726201 431.7424408 283.5449755 100.6076653 92.11812737 133.1426539 79.63901156 83.31091341 43.16310251 69.11827909 37.13259521
Tenuiphenone B 4769.995333 11806.03095 4896.87547 10511.28864 5687.334722 9881.016554 2728.100259 7111.946109 15279.40958 3431.758252 12697.41355 1463.05707 78894.74459 80170.75601 73049.18569 93617.95859 87463.02006 108535.562 62353.94631 71311.45341 60584.01514 57888.48866 53115.84564 64491.21992
Tazemetostat 9642.555947 14550.62473 12170.90443 20395.17055 14381.44998 13074.78256 32127.23187 35174.52132 60809.37136 37490.43123 57897.99608 32556.52501 29500.27705 314.0987706 217.543219 239.631393 242.7595193 388.4414959 388.5724523 194.0658142 105.6733854 109.0388193 199.6434373 253.0818609
Tazarotenic acid 7045.792751 8006.668714 7851.387289 8762.389611 8396.014914 8080.286556 7580.258464 7781.35648 7763.126234 8908.134696 8431.240613 7756.429824 23349.05752 28763.5696 21613.27659 30721.9485 27756.47554 22341.56616 22423.84687 20148.55407 21658.99859 42964.96994 20146.12373 23066.46959
Taxinin M 14639.26201 15364.16791 14769.85805 15117.93366 13634.62881 13076.71226 11392.00797 12730.90613 12619.59402 10598.63537 13488.70543 13490.79937 30756.4402 32267.79419 28914.5777 30717.99332 31440.97932 28623.32807 12753.25478 14533.19643 15293.65264 13466.49301 14540.67094 13416.07816
Taxifolin 3-arabinoside 3749.554119 1791.601326 2055.112442 1552.909191 2104.699831 1773.695954 3227.902491 2251.991782 2727.536118 2183.808292 1972.781413 3658.724061 214.439396 363.4862932 334.3403691 509.613303 295.0557119 275.8494458 80.26168578 89.96692863 190.4991237 197.519484 115.4036459 179.889263
Taltrimide 26933.3367 29076.03505 1075.045426 18167.52249 13053.115 21981.98334 20253.88919 21026.01491 8575.015644 16977.76054 23791.85297 20302.57176 36602.95178 68068.52467 53510.96435 70595.36312 57433.41748 56864.7009 59839.75322 46810.88538 51958.54024 48138.9483 52472.44107 55191.2096
Tacedinaline 45326.62687 52453.00699 47371.29002 48569.12663 48563.24407 49313.65323 38214.88904 32172.69493 28431.10505 33734.10593 33100.79439 31927.79022 2082.794766 69.42743112 126.1024765 241.1065955 1831.953753 95.40354007 2007.286638 1868.385703 1883.286097 1425.738573 3038.632809 1995.533943
TRH,free acid 1244.092887 469.2113618 996.1296046 1725.793389 2773.980842 2329.706372 20681.96454 23679.48537 11515.15587 21782.27041 17596.62612 18939.06245 4655.256846 4675.943708 5132.775334 4300.730103 4733.642306 3683.19651 509.7165558 572.0505937 187.8733166 335.7361193 437.8343178 458.8230683
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) 1560435.933 1561440.805 1503480.276 1535679.09 1448504.153 1506782.955 7085.513544 1686333.823 8053.363061 1671091.948 1755631.327 4373.668273 1242198.771 1273609.568 1269013.628 3807.545639 5067.632047 931.3436359 949480.0645 921261.6756 979023.5157 965084.2796 945918.4705 976839.4983
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) 2395.320132 1277.982559 293.4433444 804.659745 1823.96985 652.669151 141.454492 348.4313597 1083.704113 951.2469544 364.878285 553.9959014 367.1762943 379.7792831 468.9457367 326.6167213 62.69723138 414.3392256 21.84128712 133.2318281 239.4692791 37.51533032 38.28645316 498.6228514
TG(20:2n6/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 126.6566465 78.35682761 200.9603537 347.5883445 85.42648342 24.9160044 441.6645507 480.5248457 802.7972342 1150.829659 73.75900639 368.8942644 188.7834944 126.3125038 156.9754329 190.7287529 56.95071785 168.6954554 197.6408426 112.4709847 88.17771333 160.203052 82.19439818 69.20721586
TG(20:0/24:0/o-18:0) 2507.620802 2040.735276 3016.168377 1427.433336 2845.886346 2367.10834 181.2998054 529.2125842 274.0782638 330.0615021 497.6774499 76.00133419 118.1273837 86.70219172 33.01562044 246.2297214 78.75917571 496.0518059 92.1094754 133.019543 98.96930461 112.8346397 137.5464787 128.6956341
TG(20:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 164.5997176 853.355707 854.4057682 972.2918338 368.3825341 531.2223542 513.0359289 4108.085661 502.9541645 3482.229835 2724.925249 3146.487082 590.228775 1111.633923 1102.258553 425.6308516 1080.325461 592.7176504 908.4396189 331.8162475 901.6350305 2665.881788 1008.26858 941.6765864
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 96981.00684 89938.55194 83018.94434 81320.01634 54996.66195 82140.9602 46317.15517 43763.6999 43173.72748 41253.60132 42179.26998 43350.02686 4938.636963 88.09524531 4498.209171 4530.324983 5137.208695 4062.818279 115.9622704 942.2978681 3605.772023 2999.294655 2555.226612 108.1526468
TG(18:0/14:0/18:0) 1995.74056 1493.467259 1746.260187 112965.2448 602.6216225 1221.883403 122311.2697 7249.215793 4509.08185 2908.390679 4773.995536 2846.536313 91376.70041 93687.29262 93349.03746 97313.86534 90697.01011 93231.34376 69844.18071 67768.42334 72017.41028 70992.0338 69582.18826 71856.75298
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 8659.61715 9803.193922 10000.1894 16908.83444 8371.368575 10923.09576 6295.782248 13094.19048 8224.877176 9549.702732 8221.927287 10313.06235 693.9785359 59.66302136 249.642529 683.1887096 497.72625 63.98098367 703.9766049 277.568519 307.7383238 262.7676003 429.623169 75.75665338
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 41.58667828 53.16311977 323.36815 287.5240504 504.9179407 299.8617192 375.9786897 450.0787716 369.3445865 931.2997344 312.8369699 358.4677025 1323.962872 1149.920714 1865.534919 810.4204817 1038.113002 1366.203682 3090.893249 431.0830239 1278.397391 1100.945182 3232.84485 1918.105973
TG(16:0/15:0/14:1(9Z)) 1105.466844 731.1616431 1997.172783 2247.464957 704.8192758 860.5894606 4063.488815 4983.480839 3662.83614 4907.267522 3860.449548 4291.769339 8455.774215 7175.330373 5574.91509 4714.316489 3276.267155 4730.254446 6768.754865 6558.884907 7163.788774 6747.219971 6880.605293 7032.122207
TG(15:0/20:0/22:2(13Z,16Z)) 426.0008416 192.5358152 306.9404535 693.426457 445.0466454 570.7904691 793.7624189 656.7923747 664.5822355 633.0824946 461.253724 561.500134 484.5241831 161.8240443 361.8871915 150.4168137 66.89116536 76.24030198 108.9006007 388.2547488 122.3687537 117.0516832 85.4611524 210.2516261
TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 23045.50372 21371.72749 18780.45303 17104.49195 19890.13896 16671.45862 216.379211 10199.07986 2513.684954 8319.873059 1498.856516 10846.22435 2501.669561 3793.387172 3358.506948 2908.156355 2151.868096 2331.910874 3756.355278 3485.062976 2797.553226 2771.955988 3315.273663 3062.540559
TG(15:0/16:1(9Z)/22:2(13Z,16Z)) 270.7364547 285.757011 253.607822 204.3175004 117.1122979 371.3391673 181.4119227 473.7175432 1344.629716 299.6576464 903.436317 836.5354568 3678.791264 4196.435606 5473.130461 3949.088801 4341.00811 5481.97448 5325.848318 5157.254692 4656.601325 2442.315929 2734.254328 2667.864223
TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z)) 24284.74378 26045.70453 27612.36611 26273.3251 28652.71412 27899.63785 25517.59207 23354.27588 30513.98369 29118.81103 21971.03575 23222.71452 316.573197 1191.736977 723.4845598 1770.4302 1352.343856 811.8499553 1428.928756 932.458845 2176.865811 1408.696266 28.00839116 2048.837883
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) 1527.42702 974.8404894 79.92341498 2174.812973 664.7169665 315.1923509 4246.696063 2701.920833 2517.860328 4247.767793 4887.982358 5212.51861 1230.656441 3084.079141 1385.713376 2204.910995 442.9553984 6766.447676 3635.364674 2063.368473 1443.404766 2848.25415 902.7926534 3494.480483
TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) 6061.225283 5243.783235 6851.760175 8941.689426 8989.001489 9386.46654 8322.652187 5313.159347 7629.864807 6510.726528 6387.153004 7116.419244 54.07348032 433.8359106 83.81321983 425.5269625 273.3709837 360.4919533 93.84757185 279.1144237 192.1014369 205.2080313 214.3367147 482.9698575
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 15111.09297 13606.1278 14310.9235 15239.77046 15151.92558 14728.99678 7651.634039 8412.179246 6338.000796 7675.231349 6368.691755 8060.01462 778.7366028 711.9163578 133.3059961 420.683329 65.31315487 67.15518461 277.8502021 115.3599077 170.9819578 277.8211367 227.2320615 201.7886175
TG(14:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) 6596.670247 6340.573856 6324.022909 8071.330753 17578.42294 14971.5347 23868.13013 18318.40992 15393.50241 22527.00912 19223.60378 21830.73151 2330.582572 2315.034289 1905.269995 1677.808266 1307.330782 2122.745818 2725.833296 1933.35587 1718.912013 3774.517169 1987.514387 2276.858863
TG(14:0/14:0/18:3(9Z,12Z,15Z)) 75.50558315 57260.68689 125.7974163 240.7016326 53119.10799 67.71631807 15.56348998 331.5175491 162.2196846 86.09728009 64381.98321 27.36826985 4729.258643 4347.611939 5084.133241 6405.10941 5461.918541 5146.710734 67.23209004 395.1919931 11.11916817 52.88070196 21.204015 34.90912851
TG(14:0/14:0/16:1(9Z)) 365496.9924 365732.3611 1475.364077 359698.2591 307.3666685 1344.72164 3409.137363 7353.930279 2838.305498 1398.078282 3977.313819 390543.8855 290957.1004 298314.3721 297237.317 309861.9228 288792.8647 296862.5626 737.6760337 215784.8102 229314.221 226049.2687 221560.1094 228802.6641
TG(14:0/13:0/13:0) 1584.167248 651.5969895 1245.700578 344.1728278 1247.659845 714.6084157 777.6929905 751.9324856 475.5603246 301.784551 478.0272847 545.1113675 18008.11387 18736.45032 16234.54695 14801.1564 16840.79604 17014.93299 66354.09853 62869.01637 72159.94323 72477.61793 66390.12122 61652.08943
TDP-2-deoxy-5-keto-dihydrostreptose 964066.9093 976019.1917 901509.3125 942739.4451 914439.8872 883636.6612 624198.5351 603461.163 570590.9845 600295.5457 658307.2923 618696.3754 31118.00216 23632.31367 196.7490787 20762.89178 29582.65463 21031.818 8257.997374 5255.109463 6870.914632 8062.253018 11746.91122 6917.16334
Syringin 4-glucoside 858.5164234 349.1131535 604.4175424 500.9938795 139.1834672 1567.368968 448.6260546 8031.049491 899.3983788 4543.551355 1155.136453 880.5861637 571.52076 2556.444074 215.4842746 4799.666326 3477.627589 3132.033826 48324.54039 29676.96283 38763.58014 25987.04696 34524.22783 38170.29578
Swertianolin 1027.598632 753.8045269 935.9367429 1447.579242 959.0742088 425.9895284 2050.181838 1037.217266 111.8735418 153.4327448 192.7332605 2882.514778 45008.32643 47807.49561 43424.73872 53327.70297 48420.95675 49889.39544 16696.53024 8974.741367 16469.2897 16914.43538 15122.38239 18904.00524
Suprofen S-oxide 3324.012791 4054.380732 2216.246329 2291.82541 4938.907276 4244.920394 3050.248819 3076.262271 2909.617789 3739.141407 2329.207368 4976.249071 1797.761965 2881.297231 2115.931824 1621.164355 3268.542979 280.6954387 1263.344572 3988.068646 2779.219507 2040.527444 3498.864163 1218.820715
Sulfanilamide, N1-(5-methyl-1,3,4-thiadiazol-2-yl)- 384001.239 329788.9665 335930.17 345376.9493 324522.7685 506061.7467 279674.815 286309.7146 279688.5643 438938.3281 307246.8659 447004.8361 16095.84582 92.72397852 12411.46755 19769.35826 53.89664452 12588.32818 57.9714838 5844.264342 7788.821624 9886.698752 109.6391462 4744.083508
Sulfamethoxazole N1-Glucuronide 20184.78039 185.0020901 484.1759905 611.7396228 530.1014159 122.1596192 1157.81307 19820.227 1422.566961 2621.615977 341.7683107 71.53375845 203263.4352 306316.56 210650.7656 329570.8746 266310.0073 239170.6095 309932.413 270613.2947 302838.5083 275070.3974 281310.8418 285723.9962
Suffruticoside D 70936.86202 63391.84488 69959.39936 70719.04015 71709.56629 82721.4412 74727.61224 78385.28809 90294.18299 91843.21129 86686.55064 82082.58891 88277.93989 89647.18605 87959.72893 109410.3909 102387.9984 86040.67598 15333.83098 250038.5281 41258.36773 52206.11492 280452.3535 299171.3746
Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) 62.86379932 8306.601863 7261.349787 8811.917756 4817.394818 6898.821694 10692.90085 5003.556156 10948.41804 5148.946079 6452.161302 221.2320508 107047.3133 144024.1084 100120.6622 114258.7835 105622.4374 103668.3528 34912.95967 33921.94485 34127.84347 35802.36787 33961.55599 37021.735
Strictosamide ketolactam 356.4480059 333.7852691 54.70579626 322.6553989 324.2631412 301.2178076 454.2803177 527.8624091 429.7951411 415.0224106 970.1030125 538.0443694 6121.833287 3988.870732 4057.196548 2972.453288 3422.276694 4282.520011 4916.313675 1112.84371 5244.375921 5987.21388 4113.656166 4415.076956
Starch acetate 4305.30786 2410.503753 4933.937443 2411.058003 2663.363244 2866.734873 1865.495842 1632.747936 1491.665451 2321.237701 2286.189596 1563.429296 7296.32265 6175.924164 6319.40651 5953.477578 6092.911885 5471.903006 5482.011413 4832.490878 3670.235312 5151.195957 5006.944888 5621.606907
Spinosyn P 377.2157199 26.82708233 396.2760161 434.3342618 385.2801053 321.813149 674.4338313 431.9262645 358.0375952 332.6912184 264.5160313 210.7148967 2556.798818 2210.602218 2618.910628 2535.935281 3285.669954 2601.710779 4294.733471 3598.728519 3716.915498 3534.818679 3463.893213 3602.64735
Sophoraflavonoloside 14542.72084 16314.36293 16452.56651 17455.0475 14645.39309 18506.8739 5945.753098 5952.140057 4843.581141 5695.26582 6717.461131 5176.594178 326.904881 185.9007817 279.9835471 227.8990904 749.8986185 672.6390799 655.7525333 203.3585829 427.1272418 219.637416 237.6777314 261.6693439
Siroheme amide 43923.63967 25564.69791 22847.33696 23399.2798 22910.82883 15507.9954 16263.63469 17023.35756 16405.7528 17153.89508 33432.86884 9404.619345 11782.05851 12092.21278 11649.2996 12218.78153 11447.3319 11095.33001 2556.697191 1393.685949 1512.153842 3094.33092 1732.845787 1439.47164
Siroamide 420.5306791 458.0435484 289.0245608 75.50432709 581.4789846 518.0135244 203.657724 216.9486736 117.0250267 125.9038877 181.4387126 336.4631286 8387.677771 9572.863163 8181.233961 7760.409896 11170.89475 8533.957774 9404.171269 9813.630267 9882.156909 9178.57715 10346.16073 8908.839209
Siphonol E 87.89049375 1843.650238 1743.693685 1931.548896 1625.767312 1836.101035 640.330068 536.0098271 762.5065316 1045.911648 866.7004379 449.457279 17894.61711 16737.1835 14372.42124 14620.87689 15896.42362 14539.207 46588.86848 41452.05401 45623.00716 50622.98666 48783.91575 45044.99294
Silicic acid 6006.562059 6262.182922 7663.41807 7000.830775 5913.240043 7317.729698 5621.569692 5243.205349 6977.12165 6407.578296 5475.670286 6185.270058 5717.939652 5285.802195 5131.707722 5179.001298 5602.830282 5578.417553 4155.147157 5495.525595 4771.760594 5744.104995 5069.157896 5193.376137
Sialylated tetraose type 1 54127.19938 44334.57282 12183.63678 51323.83921 41145.98687 48728.30201 24235.21465 29739.02357 17042.90897 33575.79674 24795.21475 27474.85646 887.1342756 489.368245 1845.486466 1128.680756 2335.436188 1582.171597 2309.482505 700.2655709 1190.851482 2743.493511 1639.041337 4345.830363
Serylcysteyllysine 1971.200322 1282.500737 1018.627861 1757.696823 1513.886664 2961.807285 2336.484596 2906.534578 3787.257132 3539.156934 2218.718722 3210.04915 645.2581759 103.4672051 591.6242741 38.2514388 514.0740188 475.4495328 640.2418654 378.1249841 263.7605243 383.8954611 550.3419955 1488.673419
Ser-Val-Gln-Glu 11816.22166 13441.38058 2631.698431 14054.92335 7270.355224 12054.30264 20367.76608 14786.94917 20398.90721 19821.51659 24306.71972 14765.10056 3193.266001 2971.393199 3608.704387 2005.284868 134.0278749 3648.222933 177.9732406 588.3436238 2451.30434 1034.667899 280.633292 136.5022
Ser-Thr-Ile-Thr-Ser 541.6662589 332.4841758 692.5449003 117.8170526 327.2473791 442.1839085 195.2521797 796.9432279 263.0571199 271.1089552 381.1648304 158.0359554 3144.622314 1522.143151 1696.611243 624.7590255 2139.657092 598.2657841 8169.991729 7752.452401 8619.642591 8288.119388 7629.603848 8076.410087
Ser-Thr-Arg 47.86491555 152.1439367 139.9248853 127.568752 111.2034546 104.1656993 127.94469 59.92585796 465.0039377 130.911142 198.6996872 305.7209091 3382.147731 3109.746661 3758.599531 2413.771354 2416.514207 3128.517353 2495.28418 1629.597617 2952.178078 2769.32102 2598.547589 3204.932427
Ser-Phe4Cl-OH 63.07936469 3962.30908 128.6991324 3096.973177 83.01926274 93.60811068 7140.662829 5933.67411 6840.556179 5857.968225 9346.08617 1142.909061 262068.0718 247458.2285 242660.8452 257648.7854 239274.1469 247360.8196 37906.14571 8046.591862 36700.84821 36835.04359 37959.80541 39875.12727
Ser-Nap-OH 3525.883625 3531.677296 3541.469103 3672.619439 3263.251983 3603.135631 246.876586 134.1484186 132.4826877 148.7919874 209.5202697 116.1445752 122.911489 83.19037762 58.51973594 218.4468494 73.46895754 52.90999582 44.80253284 142.1999474 242.6755695 52.77070936 329.6385561 239.5673381
Ser-Lys-Thr-Glu 1674.01492 1111.735264 2154.870971 1899.780354 2223.23129 1164.943693 447.0136147 282.5500786 705.0192815 478.1692162 537.3200811 966.1972855 23257.18484 20822.88712 25988.98161 24313.56772 19052.7013 21979.65226 18398.88722 15818.26094 21299.86122 17070.55986 16365.34928 21102.12225
Ser-His-Trp 7214.988229 7253.664132 7763.088468 7876.487969 7255.164382 6636.506429 6654.927615 7731.05498 6516.768176 7840.554172 8831.648411 6852.513361 11879.78676 2113.453456 6203.551957 5254.872316 6538.767482 2170.363209 5963.568003 5620.553767 6190.838702 3121.454189 5216.525584 580.6482853
Ser-Glu-Glu 4856.398785 5418.753469 5469.609953 5991.755727 4970.385444 5336.183778 2967.789657 3491.626382 2338.961327 2155.760327 3295.031799 1993.232404 17.06166469 14.15352775 17.46360967 779.4573784 978.4193521 1009.059616 42.48948498 301.9001116 379.9976192 10.48115587 216.3163491 228.180632
Ser-Gln-Leu-Lys 3038.29643 2306.721294 3178.362388 2151.005676 2578.518927 2559.485093 2411.310446 2429.546122 2950.366545 3304.769013 2593.862436 2280.253663 2164.907745 2406.897355 3451.510566 2785.45931 2068.868049 2014.282747 3277.833531 2480.882444 2336.551772 3275.706017 3064.104553 3080.051281
Ser-Cys-Cys 884.6165459 667.8883625 502.9212849 553.4252217 400.9069796 913.7510597 2249.507715 2381.554338 2464.550885 2916.265449 1682.621973 1784.534927 317.3906175 327.8090408 688.8440544 368.2675109 1484.661844 527.3911446 76.6894502 505.4846029 751.3288123 170.841115 202.12691 67.14223515
Ser-Asp-Thr-Glu 240598.2893 230479.1436 4767.26202 239303.3119 229132.9434 213589.1098 204607.1698 196490.2739 196114.9706 191341.9445 222942.1694 221619.4846 139.0469892 119.4389647 10990.2723 12456.34828 39.81291407 173.2454584 41.8824887 5617.87887 18.92004111 138.1628789 72.4320237 219.1684006
Ser-Asn-Tyr 24316.2422 22408.84396 34926.58047 51312.7435 28465.44791 22350.54394 47625.43834 59452.03148 51981.4028 106344.301 57798.82289 104335.829 14642.25194 45000.24616 57593.51504 62785.91592 80438.04943 62103.25479 12469.47574 60738.41236 19330.03925 67418.54763 72863.31503 14954.69515
Ser-Arg-Glu-Val-Ser 307.3293755 123.2414854 76.77828191 117.7680574 68.66637092 149.4195679 93.87005292 94.61210957 146.4183046 87.28623164 165.5725052 224.2179893 3386.346009 3241.814632 3476.311541 2666.843723 2556.482314 2362.534706 24192.28865 22120.51345 23786.13228 23189.94203 24272.05379 24266.47167
Ser-Abu-OH 7944.20327 8844.059622 7538.400461 8706.627029 6986.231526 11381.38097 34323.49737 47412.82182 34425.03598 47622.66363 39049.22454 32212.64705 15119.25042 16510.22063 16852.32983 18457.80006 19136.70445 21184.69626 3855.076378 3726.298356 3293.417735 4405.354618 3109.47853 3808.805603
Septacidin 520.1745205 1169.740313 408.8740763 932.5484564 966.9520353 917.5241347 685.491015 600.7526271 744.8243126 846.8743657 321.4667575 632.00058 2903.345123 3264.791657 2734.446607 3028.747063 2406.651029 2675.445831 10154.03146 9835.218896 10034.35591 9530.137228 9768.766174 9793.357833
Selinexor 1645.240125 3406.703853 2255.970623 609.0798013 3344.039008 754.2400724 12180.6811 14836.64755 14210.63067 14532.43317 15406.58574 13918.2029 329.5507676 637.2378652 925.4199951 758.779344 707.6978418 253.2335451 12129.69343 1481.433136 11972.00017 266.5524026 20111.68337 15040.43025
Selenodiglutathione(2-) 11415.62849 9674.859418 10849.42621 13204.87712 12104.88814 8297.04578 1207.420742 1442.561337 2797.113872 137.1456479 1508.236099 777.9942263 207.8776992 273.9485287 832.9852936 1123.463599 212.5421326 706.4539536 782.2711374 190.7778956 296.3174256 1162.76991 755.9146431 1048.99071
Selenodiglutathione 18965.7084 23485.51763 17414.48391 14449.57715 12197.89903 15172.7952 11197.37349 17060.31187 16143.35075 7022.878394 10434.15307 15106.07121 527.1114127 4759.21222 5756.74221 4463.10623 5810.791743 4642.480264 428.7026448 368.6473671 235.2355818 609.497106 159.9960588 275.3671867
Sedoheptulose 1-phosphate 6118.237498 6255.27786 5545.530459 6463.780315 7011.428393 6721.181636 5816.654372 6802.456514 5664.74735 5781.96399 6140.278261 5985.799401 369.7880363 117.3101813 256.8522402 305.7865086 278.0830201 438.1336099 359.2429295 889.6582257 1122.631371 987.9729501 1222.860017 880.082324
Scutellarein 6-xyloside 140322.1521 303442.5673 117593.3315 109938.8168 219575.2259 122428.1324 118384.0784 283638.9589 130209.5485 131497.1658 314442.4522 169985.0342 49927.73709 46601.44542 51766.8143 48496.61183 50810.83628 58490.69732 17771.39063 17809.67257 21073.28165 21408.32891 19546.85809 20452.45747
Scoparin 55149.27383 51469.2716 53142.14522 52424.01332 54141.46323 51822.77773 42481.87626 24046.12921 39636.9212 41591.5946 43434.08713 43298.96437 986866.6868 809435.2968 227334.7572 729438.7727 727787.6453 785773.9946 108191.457 111207.9379 119735.0532 126361.5948 114857.62 125026.1989
Scleroglucan 397196.1065 439390.8353 386099.8952 402640.3062 340318.5758 405209.783 538452.9007 498306.4958 477822.8154 482461.6552 573787.2012 564198.91 1343552.849 5916085.875 1209512.457 6155108.025 1391798.847 1195181.133 957001.3968 880829.4101 951163.0834 917457.8103 1631463.163 954370.983
Scillaren A 337.29894 337.032437 95.73480656 123.8185546 113.1203492 115.3380718 402.5861403 440.9131542 749.1790243 451.7433121 314.3627113 267.7685309 812.097422 1809.277143 1404.852699 1007.708294 689.8028173 1128.693249 2595.538123 3583.087262 2480.382382 2742.07617 2708.659318 2945.786915
Scandinone 112367.8243 50.86256632 65.62544869 170.1030173 197.0280855 206.2108772 22.52774999 129.5354918 69.11919658 157.6945104 162.9853791 47.05099889 4545.636042 4747.193031 4664.741236 4392.069802 4471.308244 4112.280851 4670.568491 3765.751453 4417.906946 4864.964441 4938.04326 4959.508202
Salvianolic acid G 307932.1783 298164.5671 301976.8665 298748.6793 291745.6816 288189.0592 322474.9186 337137.2803 323130.444 323505.198 346093.7234 322843.9974 2617818.174 2601312.44 2390290.944 2881993.039 2774843.399 2495415.803 1171276.278 1170021.862 1271423.767 1265761.315 1232996.539 1334199.069
Salipurposid 187803.927 229556.9456 210097.1825 194146.5707 175353.1602 181133.1541 92965.37071 91806.16902 105616.2317 92226.50193 137975.0729 107943.8802 802759.4786 814673.7413 811462.3942 824695.3993 784157.2286 799369.7822 198529.994 209296.4066 204422.0243 220475.8539 205943.2451 216187.4601
Salicin 6-phosphate 7815.53944 8607.339211 6545.503893 17001.95551 6820.176596 2281.331198 5677.247449 5154.873759 7308.641128 6250.833186 5233.080712 13049.69667 25610.43745 22570.37285 23051.59244 21574.95584 21008.27214 19454.54074 26455.38221 25529.99126 25864.23182 26201.12643 24020.63365 25806.32576
Sakambullin 1373.138364 1254.892489 1232.712745 1274.343282 1014.294238 1112.077436 81.2127531 50.76159206 14.3694634 5.384882653 130.5111216 61.45818494 25.2272512 13.1111089 3.511901549 7.316459366 2.231085953 6.965271727 9.877210607 23.03212731 39.33327428 50.68819604 25.09532058 11.20883716
S-methyl-5-thio-D-ribofuranose 60.21960157 618.5268867 312.4635984 270.4455485 508.9091498 555.5838595 29.81458838 14.34148801 538.2661243 184.2006 111.2875612 384.09025 1260.699692 2651.150322 2329.817949 2896.923239 2544.851795 3091.579284 3075.91069 2650.984276 2413.917979 2388.038026 2619.112911 2475.498493
S-glutathionyl-TriCH 54.44973043 65.71102943 370.1307806 388.0039596 70.28956538 51.72727086 138.9142378 53.21250943 260.0720264 10.39494416 75.98166129 91.32767429 6159.593953 7602.185148 5613.298459 5249.794172 5307.251962 4875.568026 7476.109386 4932.565561 7369.593378 5267.496116 5782.592038 6205.60349
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(4-hydroxyphenyl)prop-2-enethioate 1406.943285 125.496149 1504.541801 515.1612334 968.1527129 1806.540748 4304.702648 2600.181127 3501.038571 3219.194069 4863.094762 2750.798388 4315.68965 7238.013453 6589.347618 5943.824192 5676.6802 21885.67413 16023.08997 12798.73801 10869.68115 21304.32782 14249.9506 16529.8173
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carbothioate 5657.525601 5546.890765 6702.642135 7525.435898 4957.350276 5165.648727 2035.058058 3991.923924 2281.807346 1859.016654 3196.71861 3258.747846 859.3848329 882.4482385 107.2516535 132.880894 192.2807837 368.7451604 862.479829 453.5963673 262.3932212 202.7086405 377.6216466 190.6278793
S-Glutathionyl-L-cysteine 187444.7635 168019.0675 166379.7595 174279.3057 183882.8954 159823.1631 176761.0694 165962.4539 178991.0769 187210.8207 174876.0927 179987.6928 12257.9479 24143.76602 22529.65763 21348.90622 22301.70935 19176.65899 2575.873823 9526.845074 11653.71742 2151.80785 9527.106535 10500.69263
S-Formylmycothiol 4314.031327 3500.849135 3004.244714 3247.461984 3331.403591 2614.614498 1702.795332 1037.185311 1291.233945 2254.655708 1643.013909 1606.228923 1761.457233 1419.832737 1117.487194 638.0535894 1879.779423 1060.322854 3233.62548 2696.968194 2643.91428 3044.85005 3214.177415 2530.411234
S-(PGA1)-glutathione 1095.568293 1518.018212 902.4674179 1903.33215 814.0415207 1332.274519 916.2895959 1049.988914 825.9411853 1121.698739 1452.752838 986.3359071 2916.57607 3108.39128 2248.863189 2751.204045 3114.223334 3154.976226 6754.425906 6287.623615 6619.46658 6059.440906 6397.205442 7173.758086
S-(Hydroxymethyl)mycothiol 1890.916457 1607.797894 1106.371958 1245.619387 2191.792547 837.2582881 7637.142027 7480.802946 5863.599247 8321.79875 9952.356923 8319.893731 1832.235879 1419.217541 1814.813837 2187.297591 3285.177832 1712.42982 965.4542829 1087.240407 537.321978 894.1012469 420.4739028 705.9994134
S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione 28410.22666 26658.05161 28145.44896 37791.77924 24926.47412 26144.02229 34538.22534 22266.92202 20179.55112 22224.26586 20487.16917 19722.44563 1160.5452 242.7804075 259.9006607 364.8714622 216.3972933 176.822669 232.6763348 281.7927772 70.16773357 315.4734593 135.9847583 17.26129065
S-(1,2-Dichlorovinyl)glutathione 12713.00918 10282.77165 16127.53625 12553.75812 8945.225457 5477.632911 9022.503842 13797.11417 2743.00715 4734.895864 6798.560151 2633.765209 1018.224362 1084.151333 892.2092093 431.5720602 1107.013943 831.1504697 526.4479478 643.8516908 382.4163959 510.0212586 418.5529602 533.7227573
Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside] 301667.325 267487.6437 287814.2565 269766.7213 249402.3709 272662.4523 155976.8663 171571.1675 158121.9526 173577.3592 188964.7755 183092.6632 6849.928286 12387.19441 3431.586142 4207.335864 3677.380663 4503.525071 1384.461481 1120.509712 3348.171495 661.1536285 4431.024386 3454.543939
Rotenonic acid 25290.88329 18497.42887 14321.76288 15860.76487 16134.21277 25045.97508 40272.26953 46529.32002 44615.7613 38094.39516 39578.58589 47378.72238 252.0198758 855.0826261 1362.599887 691.1876657 734.0298659 560.6853657 172.5649777 408.8591769 552.3655718 85.39163883 1026.125509 1176.129208
Rot-2'-enonate 3037.605201 3473.391042 2798.242107 3233.786216 3329.944822 2219.6821 2359.985396 2645.132888 2355.889847 2078.678316 2987.708883 2482.448269 35508.97689 32919.20589 32863.47369 34596.63423 33320.08839 34751.53096 17728.62062 15919.21624 16538.61893 17430.48603 16417.83775 17192.15157
Rolinose 373.7135154 293.1649555 259.2491453 341.4634966 79.1164067 343.0184561 110.9862849 331.224075 139.6176774 36.38653102 130.333132 338.6306066 234.514069 1635.727274 340.4806461 953.3494948 785.860043 810.5787023 5106.461638 5660.610014 5459.58031 4679.175342 4784.124009 5282.028886
Ritipenem acoxil hydrate 1132.685103 972.2694254 55.46457307 1255.188091 166.8849845 1270.110179 399.3173199 547.5390346 391.0271987 749.7418922 568.266253 127.6085095 13500.77523 12589.32943 11272.86835 14146.45203 14140.59367 12345.30327 2757.756772 1055.864229 2829.70524 2878.673889 2779.483452 2484.734462
Riesling acetal 39015.3018 22096.72816 16171.34354 18622.13445 12876.09493 15759.65909 12878.4878 23279.02146 32022.76846 26779.76646 11144.01935 11365.4946 13802.67021 16275.03806 19688.24138 23448.13571 54152.47156 20008.62006 44404.39693 22001.519 50079.39834 29947.55913 27137.90103 26868.92691
Ridiculuflavone B 5024.859622 4936.01835 6091.900306 5380.763135 5130.195973 6095.493808 4179.13091 4978.235489 4996.344124 5888.099964 6333.763903 5625.143435 6426.39101 6221.888967 3729.176382 4701.24034 6148.030652 5316.977142 7913.973637 10631.47762 8236.300093 9379.521067 8004.123214 7398.160414
Ridiculuflavone A 90330.34037 89430.57991 83229.85988 82136.34197 80902.14365 82472.71087 86649.34944 91712.54369 87318.43446 88163.04814 75957.02115 79426.28898 6306.342245 4967.293943 8352.839829 6865.098837 8276.707752 6984.81745 3858.192167 6310.185414 3994.652223 4333.263353 151.5187159 3297.321606
Rheidin A 38564.89698 44782.24195 42594.18789 40893.06798 37869.15965 43768.45175 41569.92516 41233.56181 43338.97588 46583.26897 48317.6757 44624.96981 112807.1172 108570.7706 103825.1558 113217.7541 106080.159 95794.8243 113664.9335 108795.6171 110413.5262 105392.3535 103177.9204 104399.1796
Resolvin D1 21.87000427 1053.801275 923.2763049 152.8339333 814.4948647 47.59923909 61.9825311 718.6551718 60.12630985 85.17805236 1524.115535 1042.311178 31012.81521 32323.32789 28632.39053 31981.78397 34242.4541 31001.55043 66651.44746 63674.65074 69246.94861 63237.90739 66977.45008 68872.61259
Repaglinide aromatic amine 19222.65768 21239.46848 19544.64625 110.0105739 20168.69277 143.0618024 15812.66266 262.4814325 115.3480069 15904.01273 21137.78507 18922.53953 310828.2606 292999.0407 294124.5163 311435.503 284743.1924 292340.7447 513768.9271 479788.9378 519153.028 513812.4911 499266.8939 508496.8873
RNA (poly(U)) 13073.47615 15814.99755 2040.170898 10031.1967 3197.008144 13380.00812 10364.97726 14555.38592 12706.01129 13012.42848 46174.17517 2706.207596 77078.44693 86540.55323 75822.57061 62734.55067 162559.5407 62847.53988 59296.04049 54604.02136 55426.82702 56330.67304 60324.21052 62398.40112
RNA (poly(C)) 32.64953799 28.3137791 75.6485061 13.06798334 30.15984314 74.93527457 28.99899267 32.79844146 33.98922553 53.35361764 13.48116891 48.88019959 46.65597581 5.77357937 13.48925876 53.93574848 40.03117775 17.46535978 72.96448204 46.81958076 12.48972513 30.48156595 8.881790892 42.62227425
R788 disodium 10822.54678 11488.70692 11855.9116 10724.55581 18154.15329 12101.88103 12011.68771 12655.50582 13062.03531 11743.06921 12700.77842 12572.85169 1413.733473 671.5146376 1343.892289 951.1623859 3179.260646 692.1930803 631.1691512 988.1870903 1122.374396 879.4472209 503.534273 227.3088031
Quercetin-3-gentiotetraside 298514.598 330292.2274 322296.3454 338203.1296 310334.3257 300542.0251 449164.0152 541184.4569 459355.7193 416766.179 586743.7308 516120.2746 147.03077 1188.116099 1219.44502 1487.380653 478.6706841 10676.66323 97.29071533 336.6946666 982.0793578 489.9566372 1708.664478 303.5479287
Quercetin-3-O-sophorotrioside-7-O-arabinoside 148.9716373 995.9312689 585.1984223 242.9356836 1209.041996 406.9394841 86.64248001 315.721903 51.59376575 47.06205139 525.747713 147.5770126 13432.55671 24349.15974 15149.92714 24470.67006 16047.33545 25347.91137 6814.243471 3374.738129 3642.701551 3117.366514 2418.289972 4748.184244
Quercetin-3-O-(6''-sinapoyl)glucoside-7-O-(6''-malonyl)glucoside 3464.668187 5081.43749 3358.29808 923.9315062 1385.318311 476.4383301 637.3627506 1401.640475 4986.600374 1578.38241 898.6258829 616.4266484 177008.6509 164195.7139 123730.7165 184033.1151 170417.998 139664.4143 19635.73816 22933.35022 33190.09026 40018.66119 25392.79893 31774.70718
Quercetin-3-O-(2''-malonyl)sophoroside-7-O-arabinoside 3.281858365 5.456398655 20.48551455 36.0601318 10.45347118 1.339588478 2.383313663 12.93019571 2.762727076 0.446138964 0.454747102 0.536931571 12.40969363 5.840489206 5.92619367 1.010853411 49.11001631 1.972406712 4.917306606 75.99387105 0.868061427 98.70238706 4.91241003 11.79783675
Quercetin-3'-glucuronide 195622.6881 166547.9239 162297.795 155758.2834 138510.7263 128469.6488 59221.04605 82334.256 79290.01371 74853.84188 77959.819 73614.38394 2415230.049 2439000.894 2323657.335 2379966.829 2357959.86 2336439.011 2321053.672 2309908.343 2480264.396 2387074.38 2319380.616 2370629.529
Quercetin 7-xyloside 40381.02291 40900.19086 37773.99465 38711.12518 35498.00371 39210.14283 28779.88249 28431.65532 28823.12327 31377.05186 29468.20359 25946.34372 206919.8741 203225.986 214414.1521 196060.4409 199889.2653 206220.329 204462.7942 228950.6447 217805.8214 224810.4702 223125.3647 235357.6835
Quercetin 7-methyl ether 3,3'-disulfate 13042.25203 9882.012095 10390.52749 10129.81574 9611.745099 9768.787164 6091.888722 10133.60121 4140.130187 6254.340734 5393.166992 11298.86078 5332.941468 4182.874381 3906.663131 3567.967026 3255.163868 2418.518381 64.09766112 759.5179941 175.8292672 86.85846507 98.15818929 213.2125089
Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside 13450.25755 14812.41354 14837.54168 13663.17446 14636.04503 15907.08462 12959.26161 10020.19871 15544.48073 12281.46421 11231.08423 12644.52289 3747.780875 6518.191905 3797.780584 2437.903818 5442.076077 2098.342633 17540.47207 18068.48115 16231.89789 12633.02728 11876.45247 11392.82683
Quercetin 3-O-(6''-acetyl-glucoside) 34189.2957 6340.271103 33800.07124 31777.68742 32393.9298 12795.54878 24347.404 61973.89869 67927.59063 73209.53374 68240.77624 36092.95733 37519.861 38032.08105 36271.35569 9772.328465 36895.17501 22281.23227 101037.2147 106403.4663 111674.672 115060.6335 112701.378 111489.4251
Quercetin 3-(3'',6''-di-p-coumarylglucoside) 2263.565821 287.9855077 1395.551711 871.5603104 1271.345486 2185.556569 1035.821646 2153.241723 1299.711794 2701.648172 2401.508908 4020.664476 47900.60713 46569.15347 51385.43254 54174.06913 84191.75969 55168.56909 4257.138022 2136.088751 3031.814346 2932.291685 2817.276435 3860.582436
Pyrochlorophyllide 17641.18328 14907.88836 18758.83353 26674.46601 18174.8011 21593.58298 14399.16428 14391.26753 16132.78406 23521.99266 18675.15057 16369.17726 14.76483202 8.858889117 3.506643573 494.9732789 951.1343466 498.7860492 714.4805237 522.1036557 498.2015288 416.3107912 724.8392564 910.1748011
Pteridine 4181.953025 5100.002756 5185.81846 5096.022032 5037.136455 4392.207305 5012.310759 4445.837098 3697.827002 4380.899509 5398.482636 4354.822883 1127.756558 1470.657512 878.8657799 2627.038402 1972.992645 1483.436811 1635.526925 2332.427786 2982.906305 2152.844501 1679.245727 2297.427491
PtdIns-(5)-P1(1,2-dihexanoyl)(sodium salt) 11697.89507 11602.53951 10042.06482 11079.03759 9710.420213 12045.73021 51773.35281 53568.23354 46535.85316 53436.15337 70626.09655 48515.2683 24.28608793 1310.410664 1134.094165 989.1964946 2011.554701 851.0715648 1234.786168 1132.47208 849.5619973 24.05279865 789.0414439 178.2740558
PtdIns-(4,5)-P2(1,2-dihexanoyl) 21479.83992 18203.44178 13767.98889 12876.27055 9654.14816 3651.918933 14808.82655 13822.24163 16503.85977 13679.5921 13320.80543 13583.50483 31501.48994 32793.99755 35157.15943 34435.58883 32982.07057 32118.45594 91340.94917 74242.9245 80069.83766 66718.52804 76756.10136 70738.73143
PtdIns-(4)-P1(1,2-dihexanoyl) 209020.0247 193902.3145 232725.9385 203017.7072 217629.6267 198685.0537 146944.9013 133398.178 139769.5712 134263.0954 143356.4057 127969.1427 3540.259995 3229.889977 3194.636319 3436.672422 2557.265208 3460.004045 3290.067845 3965.555581 3205.475286 2161.38514 2487.48048 3826.854939
PtdIns-(4)-P1 (1,2-dihexanoyl) 14916.24389 12609.19971 13019.50222 18638.07831 11473.95934 17883.75932 101817.0824 116830.0573 81653.86937 131875.8326 115952.0246 106437.0573 6309.267702 6488.03185 6306.246005 6243.313447 7309.025763 6565.875916 93.82377996 66.84239363 197.1263545 50.21325044 56.49029127 6569.103308
PtdIns-(3,4,5)-P3(1,2-dioctanoyl) 101248.5126 104220.2359 98850.83234 99779.10234 113823.9281 98034.63658 490275.5329 444413.44 452646.6479 457299.6033 466951.1463 399777.6466 799.9422602 336.6508499 519.775221 506.521792 278.9128565 750.3810441 761.7583761 1334.28641 442.2283071 1059.478753 308.0149007 971.9541181
PtdIns-(3,4)-P2(1,2-dihexanoyl) 1219184.819 1254335.472 1214761.551 1240039.88 1192269.212 1440395.533 888264.3243 878614.188 837966.0146 850602.7752 887176.2308 847221.6787 1277873.094 1246666.427 1230295.788 1338468.855 1263897.158 1202081.216 958495.5695 876249.3212 974118.0981 999225.1485 935677.2094 1006598.138
Psychosine sulfate 13911.59065 12110.67817 13311.2832 11489.02393 10451.05272 10730.37438 10138.89075 8808.228558 9248.017699 9026.154205 7582.068646 8101.434799 8582.653367 7105.72378 6545.296461 8566.190793 8905.218279 7737.488526 8518.43845 8275.304192 9255.270367 8266.300142 9907.384719 8650.97926
Protodeoxyviolaceinate 13247.40953 14620.46789 14786.28643 10876.49737 13670.21971 12142.76012 4870.610572 6010.861638 7294.394614 6612.363644 6400.07502 7068.787132 110.0621869 309.3053417 265.0035801 210.4515638 313.772138 500.1024296 487.7468686 1124.757317 116.8202347 99.63481718 1120.119194 314.3515271
Protein Kinase Cε Translo Inhibitor Peptide,Negative Control 3218.415972 1956.99989 3033.848246 3579.03288 3548.547146 3423.332561 2201.171995 3324.360959 2890.98105 2604.899044 3288.203069 2643.771325 275.8886659 135.7804289 291.5776968 49.78491665 18.10915198 167.3699572 74.91346066 278.7918893 176.9690241 215.5838342 177.9299442 153.1453668
Prolylthreonylarginine 461.5596435 345.4230444 683.8587463 323.9630533 760.8623372 382.6230956 159.4896795 157.2044441 778.3234651 477.3195759 687.0010994 543.4573141 3242.086644 3075.133306 2457.653617 3022.101554 2461.251496 3255.564551 15497.79366 14060.65688 14402.62739 14947.53063 14176.41895 15319.16408
Prodelphinidin A1 3191.591487 3541.555053 4934.212497 2656.962244 5455.986557 2134.025572 17299.22734 12591.96909 16005.2798 14053.24992 10996.15471 11592.22816 66612.36851 68462.54799 50580.23381 54021.74637 56144.33276 54138.17654 70731.89373 127381.4262 76903.38008 74987.90576 159383.2062 155518.649
Procymidone 740.5288358 703.9755597 411.9109582 544.6431121 719.0387413 765.5208905 1051.434325 1626.747115 1322.375144 1679.580605 1794.231543 1433.058253 5035.841768 4769.472017 3279.885973 3630.194986 3757.929205 3991.311453 235.490101 159.6855107 158.3130172 154.517218 177.9218465 79.67147442
Procyanidin A1 269117.0427 113947.5961 151557.7129 273352.7934 238453.5847 79843.50487 57918.99787 65401.23159 43543.24907 210523.6789 108578.0577 99554.72739 36721.93604 35185.47533 35228.00958 38044.91429 34846.64032 30636.38395 7528.276357 11267.0202 10517.34264 11891.57954 8222.57756 10009.0614
Pro-Val-Thr 260.9828962 495.7612839 327.7341932 485.1460709 372.1167454 408.0575063 362.712886 319.4564691 280.2486726 179.5239808 280.1582682 346.5970017 5128.011947 4451.701721 4682.008961 5317.081721 5410.693279 4918.506797 7240.458693 6223.917139 7863.374652 6689.275882 6219.694481 7428.909733
Pro-Val-Glu-Thr-Leu 59.08177729 188.3032214 132.8757575 240.6259819 271.0168471 88.36123116 729.4652893 492.9911161 726.0613584 224.3066346 549.9929672 476.362937 7865.273261 7668.84639 7687.688151 7465.44584 6908.217316 7362.408053 4604.201647 4017.441766 4378.085528 4570.700265 4404.038237 4700.754555
Pro-His-Val 71.17003454 413.6449842 94.89371379 191.0273441 114.2197693 449.7704678 11.04365452 32.42972553 154.9177299 324.4335248 170.9709629 49.08280816 2654.578008 478.4545251 2586.725008 1485.399771 1135.340737 2098.861125 1526.476725 1879.540196 1070.056148 489.3985979 722.6395355 1399.497953
Pro-Glu-Arg-Val-Lys 6840267.176 6844672.097 6590598.542 6731743.996 6349605.269 6605076.034 7288531.191 7392147.861 7212174.909 7325334.644 7695918.228 7309038.941 4215.595213 5582946.099 5562789.04 5799058.225 3329.821291 5555775.52 637158.9788 533769.3166 624759.2435 561278.6267 707916.7772 840177.7382
Pro-Gln-Gly 2185.421601 3533.61323 2947.142344 3324.883978 3385.342674 2069.245438 144.8841556 85.36053541 40.7423513 227.5077261 81.88243357 183.1420112 61.61075164 140.3128937 117.7455102 77.77670826 63.45504344 205.7987721 152.0393107 95.7944464 16.69444903 185.1785002 299.8188329 286.5473127
Pro-Asp-Gln 2166.143585 6666.808569 4841.700752 4659.142862 4545.968992 3229.368935 5985.89497 5840.253882 6523.239145 5732.925787 5901.123792 5734.742921 474.7671789 1279.044235 797.5003632 674.2681243 681.4409074 858.1263742 1336.161576 1296.646368 893.2227385 1469.419003 1447.253856 828.3974246
Pretyrosine 397.1016815 376.0698516 48.42721951 434.7429052 363.3497534 242.3442247 418.8611115 163.4416038 339.77026 33.84977449 179.1305113 294.9633286 9885.017616 9163.280097 10242.29362 9570.740086 9402.868209 9178.972769 19623.19219 18299.96989 19079.55477 18740.95114 17698.15635 18931.2674
Premithramycinone 19743.52556 19509.45094 20321.9816 16974.8352 9237.906401 14897.98751 24671.74434 21488.33528 23714.34394 20993.3308 20015.83375 9583.839792 37329.35896 34186.33862 20562.05171 39423.94936 36209.05655 36037.72646 15839.06742 107350.4803 113323.1512 12789.98399 8526.453817 111919.5584
Premithramycin A3 315.381681 683.1845335 268.7043245 174.5136948 682.6895348 309.7428066 91.13897083 380.5468919 206.1986877 235.1494466 208.6206424 378.8826003 378.0520921 232.5623797 302.9955391 423.7115006 882.9279265 71.91289112 168.51439 17.93196994 23.10821876 252.2051859 257.8236049 26.62078665
Pregnenolone sulfate 4.731510151 7.643388701 9.138404097 4.120689248 1.481896534 5.726069577 6.66854779 1.062705858 12.44654004 5.381580702 8.514453749 10.659217 7.157265955 2.704643848 8.268692055 6.972102585 9.384093212 7.259475227 4.203605001 4.601661527 1.753249402 3.574752541 6.051048147 5.68217927
Precorrin-4 310.2406959 446.708132 355.3547302 257.0595504 300.5244037 579.0567772 219.9270123 1039.165605 855.8002734 358.2152251 1221.937225 571.1997347 9236.204416 9417.876037 9724.637363 9213.598515 8926.111364 10202.97774 868.4301976 1229.852227 1037.603953 2473.647518 1487.438619 2280.17694
Precorrin-1 1059.768832 2564.687315 2222.881973 1164.458582 1288.914353 1480.451687 962.3575717 1033.306892 444.9286502 218.9563221 1109.622453 729.7140528 9278.249231 5169.18203 7222.154251 6871.745572 7270.416828 7425.433331 5430.899255 5003.947981 4830.777536 6708.543112 3413.274439 3663.549524
Pirinixic Acid Aminothiazole 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 15341.29668 22562.07404 26952.48093 27333.19746 26402.80302 19986.89149 6424.805793 7378.316617 3576.447104 10384.58499 4683.730522 4367.287816
Piperonoyl-essigsaure 23378.20431 25377.35216 26850.26104 26679.75351 23932.86425 23815.53492 20378.38387 20047.81924 19303.88143 18461.33049 23440.82337 18722.55765 80114.00482 75333.24002 74626.34796 78132.83583 70863.41668 74242.6967 85948.06209 73104.12152 84605.22632 84385.51464 78671.4511 85474.47065
Pinocembrin 7-Apiosyl-(1->5)-Apiosyl-(1->2)-Glucoside 10353.78825 17549.48954 11734.01221 29794.55942 10553.59216 12658.88 10909.42482 10410.50494 25645.46136 10863.74156 10586.7799 11423.16458 600.0282589 90.17393479 138.8706572 58.60039167 1282.843255 73.25068103 1122.259656 35.69894817 1034.992925 1160.265105 183.7467248 96.99385752
Piloside B 7468.276594 7527.122191 7932.84083 8380.795768 8179.392389 8163.13045 5183.364117 5683.415391 4622.069294 5125.307319 6172.672453 5553.35612 820.5024289 681.232795 685.8100813 654.9668427 742.0905315 129.2026326 249.5346744 155.6099467 286.5606421 39.32243763 19.66122901 46.81216862
Physalin I 15.51097259 2356.717717 3147.483439 2376.664786 45.70037892 24.54256312 33.86878576 51.87216496 2289.10359 1682.526181 2120.249159 14.72548436 46747.27935 43484.40315 67947.71379 48110.90181 43567.74075 40353.9353 6464.723049 6508.993827 7682.111852 12451.17049 11723.35003 6991.125373
Phosphonemycin 1843.997832 4755.800563 1599.639211 2902.911025 2677.309827 2444.72863 6656.458934 4959.686759 7803.62155 3147.833831 6353.11925 7679.044176 2918.198885 4262.214443 2774.035806 2693.666696 4434.687712 5190.403205 14819.38253 18933.47745 16310.03542 14020.77965 18004.56294 15300.64164
Phosphinomethylmalate 151.453252 184.9344552 60.14375884 153.8511434 131.6278493 105.6143028 124.5382944 171.1371415 140.2476016 175.6468251 134.8935493 67.23405088 2446.294845 2480.807358 2128.78219 1731.972617 2536.520654 2160.145763 4509.858366 4669.472258 5503.748891 5860.139212 4034.227911 5348.857611
Phosphatidylinositol-3,4,5-trisphosphate 584611.9024 584988.3744 563273.6635 575336.8371 542677.0498 564511.0003 622936.5432 1589.875436 616397.4572 626068.7941 657741.1788 624674.3711 283859.1035 261553.9006 194080.353 213500.2779 196424.1187 173740.9065 3373.544126 667.3476837 366787.7597 3553.874505 354385.0695 365969.5252
Phophatidylethanolamine(48:2) 60248.31848 60287.11654 137.7586899 59292.45856 55926.64056 58176.78086 181.2917853 65109.22692 63524.04076 64520.73921 67784.79853 64377.03424 7366.449442 9430.883342 7086.798847 10350.16032 7471.711446 7112.122106 36659.3566 35569.84665 37800.02711 37261.83422 36521.84371 37715.70236
Phloretin-4'-O-(6''-Feruloyl)glucoside 1066.959674 4832.540401 3913.241922 968.6355694 865.0327743 689.519407 349.0402269 1153.074695 702.8995808 507.2456166 890.0343208 334.800362 174667.0179 173205.0907 169783.635 174993.3738 177280.3402 168977.0435 44450.27304 43887.87778 43276.17946 44345.24508 41431.84926 45050.9126
Phlomuroside 765.9029426 1385.838674 697.840733 572.4317216 920.4845851 705.4457836 1026.755853 999.7759897 901.6414041 299.3595431 372.9631694 900.7506773 10430.5507 9140.197194 9463.303786 10122.84877 10318.88872 8303.391248 19296.86215 19823.1186 21688.77378 18403.78299 7031.63162 26059.84157
Phenylbutyrylglutamine 946.3710248 878.2174354 2482.377785 2585.213398 2788.191344 1122.58725 728.9282081 7881.846949 1305.511071 521.0751623 773.7334467 697.4101778 178.1015617 16222.58367 11663.71167 14332.33593 12694.53949 17422.38732 61364.49396 58273.88582 61343.21636 63216.57876 58407.40308 66174.58837
Phenylalanylphenylalanyllysine 17649.82707 19931.60874 17930.15825 13493.14327 12220.43034 19239.75548 19643.33171 22586.74978 12940.22461 13192.06636 12504.50206 19213.99892 17594.42624 14884.65051 15267.91443 11091.92574 13708.40595 14206.17872 11983.82979 11496.21528 8745.38179 9232.197264 17444.39289 12818.18015
Phenylalanylalanylarginine 1363.27504 485.0084612 595.5377689 518.5517538 798.9835434 566.8105088 410.8108956 292.7961651 556.1838247 455.5695612 646.6717236 755.0262944 3923.327932 2621.379762 2981.930066 2622.477016 1674.109677 1321.383506 4091.678142 2499.504481 3944.570215 2661.757746 3760.545301 1920.494619
Phenol glucuronide 5721.049034 9626.891285 5529.997744 9873.462796 5220.771715 10049.1394 7263.543528 13329.41581 12258.07071 12412.43254 7557.795972 13151.20658 133.8381527 174.3494813 334.7051178 242.438672 186.496332 229.0778436 1335.563055 1241.509757 1166.53746 1630.504666 1442.749349 1626.827422
Phe4Cl-Val-OH 252580.5836 243480.2697 252441.8585 258907.9503 234881.8004 230991.2956 337819.9109 333355.1919 329509.3369 378772.9009 348638.9375 326952.4146 66698.8122 83401.94084 74876.79537 92120.43215 109574.5071 83924.41445 14488.35147 19079.90165 13969.74923 19447.86671 12294.00846 11720.12742
Phe4Cl-TyrMe-OH 46863.43727 48968.63428 51268.51777 48161.4289 47867.18324 46928.95626 51742.41075 47052.32434 52203.70371 54451.94386 47789.57242 51370.92472 30634.20184 31674.90102 30145.14159 28067.74046 30852.41042 27831.21307 19193.44299 19498.51062 18192.61498 19851.39932 19213.49032 19270.95923
Phe4Cl-Tyr-OH 30789.79345 31009.23189 28602.05457 30278.28988 28862.04276 27964.1519 23352.09674 20911.3862 22472.56556 26272.14419 22853.77215 21506.92326 21133.22068 21983.58929 18854.20833 18756.84119 7212.473454 8465.321731 32090.55591 30761.54504 33411.35267 32502.35668 30065.63033 6907.395377
Phe4Cl-Trp-OH 83802.62098 76588.14226 83833.3055 81283.2524 84039.72349 76140.03092 107099.1116 82466.83503 77178.25892 81107.27556 84384.59122 80229.8281 71911.95182 102616.0138 83316.32034 87375.71441 68075.89522 88245.18882 66689.39193 66653.44812 69179.39429 72659.11338 61647.25573 65529.94064
Phe4Cl-Thr-OH 19662.2697 5948.603608 7676.91215 13584.76596 19827.17501 25782.23356 10797.73985 6663.152112 9309.757728 11031.57626 11237.21245 3608.628616 393179.9601 395067.9326 397422.0214 386035.0158 369263.001 386709.296 105746.6542 112121.605 111383.5092 114645.0881 108927.5878 104955.7917
Phe4Cl-Ser-OH 107744.9146 65922.36513 44663.25812 121120.5248 28360.95202 81235.31788 80570.37505 121140.9734 131118.1202 112772.237 67969.77599 144458.564 6977.057752 11884.50562 21432.95638 14959.96286 18217.51726 3324.566602 4443.826769 3977.020223 66.29960528 112.6246286 5088.470432 6479.137337
Phe4Cl-Phe4Cl-OH 888975.8555 894947.0235 882701.7449 844021.8682 851388.6966 818507.6933 773782.3608 760418.3016 785296.8811 748273.8811 777187.7168 728824.7287 287424.5036 290791.455 251899.6799 292679.8447 263072.4248 275027.6986 217405.5191 229524.0487 228046.678 231478.1155 228938.7015 221284.5883
Phe4Cl-Met-OH 175.4541331 337.8105561 1349.478767 1825.268645 30.43934122 338.8160679 230.0728144 64.17885696 345.2148013 348.4877106 148.1426535 210.2285642 13729.38668 12878.04405 14189.54331 13908.40532 15639.63906 12244.32692 5926.258269 19843.56357 23916.00193 23109.58838 22451.1341 22009.13475
Phe4Cl-Leu-OH 649450.6716 558411.7354 550666.5647 547999.9827 547081.166 577174.9326 543659.3948 535602.7232 536773.2636 528122.0755 531658.0586 536703.2151 494356.2364 507549.7743 483461.4643 504535.3015 531151.7311 514598.9756 569732.2342 582254.7359 587510.9753 597201.4284 585267.8384 591665.5163
Phe4Cl-His-OH 6832.494444 5704.599701 5896.02543 8566.56043 5732.745532 6664.884703 3258.053725 2118.688501 5011.355944 2755.555326 6330.908029 2021.359366 41578.11003 37693.42182 40058.34748 29845.07419 37771.61417 38745.15067 5323.436249 11604.59519 14923.5389 15913.85639 20699.69781 15446.96962
Phe4Cl-Asp-OH 64.9783742 172.3246691 40.58304594 62.63888555 71.44198357 49.43936125 115.43615 49.7923935 32.74119157 31.46063417 7.764300629 54.17837292 4008.343799 3207.396733 3503.452797 3872.142089 3576.900936 3330.186416 55.94334617 215.161685 353.0132286 177.4307251 20.60055851 250.7274096
Phe4Cl-Ala-OH 128752.7361 84046.47806 121605.5955 91475.62998 113644.1169 85371.60659 1498920.982 1215887.046 1334070.53 1125493.381 871161.5002 1437939.403 156731.9135 151756.9831 160299.9184 150955.8597 164192.7169 155707.9797 19770.90203 24516.68221 20514.16587 21918.37892 20060.92035 19669.5476
Phe4Cl-Abu-OH 46297.60692 46479.4261 43491.17184 45129.96786 46269.18266 43928.63984 31244.47089 30817.27787 32560.23905 33452.75101 30033.53762 32687.67477 1272.45202 275.8725725 898.1013327 2562.335474 906.5545827 697.4717148 9067.375761 9345.883401 11054.02089 10227.54518 9973.387237 10199.16113
Phe-Val-Arg-Arg 91374.86874 92058.379 94533.71892 98166.53886 91547.15206 96473.64583 73344.52997 77357.81947 74514.35193 74608.82317 80131.65276 74580.83567 50435.712 46995.91177 48553.8248 46950.50151 57597.40669 45589.9365 43180.43943 40010.32803 42623.55981 42946.17292 40760.54377 40254.82414
Phe-TyrMe-OH 82375.63101 84997.26111 88116.92512 91296.91515 92500.49545 96235.707 26313.20037 29265.02344 29603.32451 27446.89342 27396.06578 26456.12618 986.1857056 527.7219612 383.7709096 442.418373 305.0365885 232.4903322 591.0335157 1087.431626 1087.262858 910.5428197 1173.053481 1227.189123
Phe-Tyr-Val-Lys 137.9471041 210.9127106 33.56880483 75.22683309 22.72896133 279.3121709 920.4239131 1252.208216 971.9351371 1226.178108 1203.773899 991.0877599 306.3904346 108.735023 194.617206 87.09841948 3.729847871 73.41813516 56.93325199 64.9418444 97.13487387 51.39918421 49.77300061 40.09040141
Phe-Trp-Ser 776.6771806 199.1555131 258.7377805 151.3133011 282.0096604 358.3869887 129.9789605 53.66930629 67.28600895 154.5611506 158.3303599 61.46751842 1335.270152 760.9029141 837.1044611 800.5903146 557.7670515 832.3592744 3114.913584 2851.231848 3397.154002 3913.478314 3184.512554 3353.189188
Phe-Thr-Tyr-Asp 11.24849946 1.299369369 9.755624279 1.377784559 14.04249186 11.9426572 19.68783006 14.14213501 0.358446826 0.179231732 0.089611101 13.16522853 0.112014562 9.595475389 0.582474948 0.268834447 10.37542046 0.627281082 0.358447183 4.538930685 4.699518232 3.450930099 0.268834828 0.336044118
Phe-Thr-Lys-Lys 64512.83645 57921.64261 59395.28524 61917.11938 65361.0795 64268.27529 65520.29806 60345.33759 66137.79972 61332.32526 62464.89512 65416.01432 105915.7071 101096.3094 106162.1492 108703.0331 107154.1261 98260.94323 108202.0045 110066.6867 110703.6337 105498.959 110599.7701 111273.0759
Phe-Phe4Cl-OH 23043.66195 16795.67788 23360.05894 28511.53332 18779.63376 34266.51866 109225.9385 119040.3961 85171.25171 115724.6429 116838.5158 110457.1248 89439.31449 88170.19473 122035.9226 93996.5019 102417.1672 90565.48044 14840.06675 11940.92107 12435.40953 19141.06655 11338.42081 16012.03955
Phe-Nap-OH 193680.5687 194639.7576 224171.4325 212399.6405 204228.8667 228318.2339 211541.0231 139631.7545 147754.2434 132415.0856 160151.2421 132805.4664 5.360073893 24.79525882 31875.21249 7.447636106 28946.90676 30969.10866 10.15595846 19367.87442 24885.29528 18.39343467 17391.2334 20273.39951
Phe-Leu-Leu-Val-Phe 2192882.421 2194294.57 2112842.571 2158091.601 2035584.562 2117483.829 2336638.357 2369806.872 2312110.21 2348387.447 2467190.735 2343156.959 1745665.586 1789814.889 1783371.559 1859088.066 6984.149467 1781109.182 321231.1319 302025.5593 341242.7707 275440.2214 287693.1827 335398.1939
Phe-Gln-His 1000.246564 176.0863537 341.1687583 203.546688 636.0393555 145.726649 346.4070864 383.5231986 459.089255 294.0777719 588.8298695 186.6441199 17239.10645 18393.74288 15955.23321 16354.38557 17234.40236 16548.09735 27588.16917 28998.1581 30444.57064 27407.98208 27489.69764 27301.09384
Phe-Ala-His 35.07531524 514.1839391 459.0420495 338.7710504 439.8984354 505.7426525 391.2246185 84.42231582 79.81742727 145.6338563 130.5804749 261.4333089 1320.345606 1763.570776 1507.824584 1848.528984 909.8864051 1705.489543 3633.356512 4495.103856 3545.602936 4085.196915 4894.582208 4939.191405
Phaclofen 2414028.778 2236237.481 2172721.381 2112093.516 2040898.962 2012212.201 1882467.89 1812036.814 2083252.411 1825629.548 1790330.547 1733210.806 24987.16013 15438.16395 16452.10966 13518.51676 14095.30512 16122.71028 430.6110451 337.6468516 327.7334622 307.102133 285.3417452 680.8765544
Petalostemumol 1727.603672 2012.021331 1566.128626 2078.02192 1686.627818 1437.438077 247.4121199 148.6683303 314.2614944 271.3961868 394.6334785 286.5337379 67.63422702 51.18221944 17.01004136 72.70695735 25.68519598 105.756941 42.44021864 17.3502409 34.36006613 12.84264151 34.87053515 46.7222448
Persicogenin 3'-glucoside 17018.12843 18893.86633 19550.92986 20288.41003 20192.86885 15650.0194 58072.89557 77929.33815 57718.60271 52143.68249 66352.57885 58296.98129 1990.127851 278.7801649 87.4967671 185.0338444 108.1922283 126.7368079 2665.503517 2032.111816 154.0921148 128.9908731 58.19433436 2892.741306
Peonidin 3-(6''-acetylglucoside) 7711.553658 7858.624698 8639.764083 8771.848607 7492.201336 6741.078852 7943.926725 8640.106317 8960.016261 9651.231733 9923.68459 5789.535909 22477.33935 23679.73532 23853.59129 24766.51046 23868.7425 20895.79848 21160.60787 25086.11879 21251.11126 22844.3041 21482.05795 20776.33467
Penicillic acid 656378.2951 650258.7724 648490.7232 331138.7999 618531.1115 619203.0971 264159.2131 266116.4588 254713.3619 263328.5493 286352.5321 455007.7874 255002.7036 251428.5178 241349.6449 250946.9951 248304.3241 249521.8216 57185.83714 54769.27095 59302.34587 59934.11966 57558.19403 58722.01909
Pelargonidin 3-glucoside 5-caffeoylglucoside 1442.218897 2399.630007 1341.791242 1335.814692 1183.089316 1086.084043 3808.294747 2718.319122 4686.269319 4185.055679 7150.569509 5683.825738 5010.737996 11011.87999 10464.28972 9484.108207 10164.80289 9920.785138 5315.594532 4931.407461 5495.436483 5674.326248 4385.185303 4542.987633
Pelargonidin 3-O-rutinoside 1050233.867 1021545.74 1064805.752 965564.1776 963601.2996 1018299.011 681591.6882 685298.2852 681011.8304 685472.1123 661162.8597 691432.8868 35147.40319 39097.56524 40748.0832 36868.23346 42555.14277 35592.09197 16803.33183 18044.35226 17602.22519 18411.07061 17777.6888 19949.00757
Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) 42671.53335 37584.67474 36777.58717 35084.22526 35364.26399 34019.85037 32354.45692 26507.47374 26441.27427 24279.8898 25709.21991 26381.28833 13062.6802 13570.85943 14706.85209 17589.51462 13814.19806 14961.3511 1531.783572 2447.823907 4047.739582 1332.033772 3186.747187 2263.052657
Pelargonidin 3-(6-p-coumaroyl)glucoside 833.974312 360.5363514 500.862655 830.8659888 2254.969163 578.5502784 269.9092706 488.5222405 1871.374462 1419.842779 1509.502487 262.2554163 11306.09043 13140.7917 11792.76733 10960.69459 10500.75057 11286.77793 24866.19636 42593.70307 24499.64046 24023.91973 25529.48228 25805.15596
Patuletin 3-gentiobioside 335809.2256 334956.6944 338630.9704 337624.6914 327483.433 320875.7842 512010.3681 503992.2984 489788.406 502402.8848 507194.32 483402.3603 425485.2452 409960.8437 416999.5089 411869.0483 405553.643 401321.4435 241644.3991 226487.8877 247439.9046 238299.4367 238692.4122 252181.4263
Parecoxib 183055.0241 168638.4181 159240.4794 167766.0277 152969.9677 156409.4614 19571.76339 20276.54467 19837.77244 22355.75435 18056.10816 11242.24273 613.9564331 93.13531735 146.6878141 55.88109132 425.1940077 243.6922093 177.9374547 213.8871588 300.7286226 85.29215523 21.32307799 492.2708359
Pantotheine-4'-phosphate 678.2405603 1999.70652 851.913909 94.64708285 967.6883813 1289.91993 3637.864853 747.4281821 912.9855941 326.2645335 2750.790931 1119.961397 3210.110482 2163.519488 3020.564671 3188.633851 2170.176958 3577.318945 4545.260625 4436.457076 7676.775329 5928.891331 8452.131855 4043.496109
Pallidol 3,3''-diglucoside 124954.8978 125287.5539 127947.1491 118558.7963 121659.7788 114363.6867 48898.62242 53127.74256 53180.79787 46959.83427 37385.21197 36251.11954 4450.503853 6468.994327 7152.137613 63.31150835 264.3836588 3842.606572 3792.985977 5066.391283 3904.962613 2969.356742 4931.841957 3847.201238
PS(16:1(9Z)/22:2(13Z,16Z)) 119.8297473 242.7883454 164.8054884 47.23448694 149.1887394 95.87313499 115.7898684 37.14628226 94.16516371 140.3633664 55.61602519 76.66473739 2162.789291 2454.662986 1288.67234 2121.767451 2280.817245 1838.621793 3118.13921 3224.929307 2009.290086 2091.408561 1645.919842 2665.769906
PLC Thio-PIP2 23211.12966 20737.01136 22284.11731 22381.0144 22053.44017 23156.70292 12778.16591 11619.10685 12950.10288 12758.589 10297.45764 9089.588414 78154.73222 179908.0448 152874.2584 179635.7284 124077.5002 182599.9272 192413.3952 179656.7418 195421.1997 190748.8338 177255.7364 197502.3586
PGP(i-12:0/i-12:0) 418.7046609 501.5811774 445.3061682 1049.701984 522.9823066 1048.143678 871.1759156 541.5648393 709.077301 1245.74314 418.8789792 919.113186 13060.26788 14009.55781 13278.01591 12771.28766 10037.90339 12186.94869 21320.82664 20949.7554 22025.06471 15182.52182 15853.2983 22082.22585
PF-04418948 4351.811843 5329.371366 5201.218199 1418.201081 2535.145168 5196.109162 3168.910056 3345.657475 4366.46548 2830.346217 3981.036915 3154.131648 429.7250756 448.1118631 670.818717 627.2550055 485.2144664 638.7586754 70.68479322 314.42616 361.9080436 230.4071619 250.136915 43.74480562
PE-NMe(13D5/13D5) 2916.193102 20311.03668 7807.185369 13975.53262 20517.67015 103321.1855 317391.9484 375500.4869 353693.3878 475246.1687 437482.8046 152310.6356 1360.643664 14370.48985 33715.7805 31555.11117 10911.38974 28648.07369 3864.039312 3350.8003 6103.817458 3713.504967 3465.660241 5543.682206
PE(DiMe(11,3)/DiMe(9,3)) 46829.70778 39925.68093 16691.2117 39157.41556 18156.07449 21880.07473 10254.7252 10503.94427 11250.78509 9290.853034 14054.36942 8269.326076 17153.89164 8167.590821 8345.780018 9184.359138 9082.826939 10842.96135 3698.380436 5208.553668 3972.27981 4178.824994 4160.980111 7147.821859
PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 86.09959785 50.99326123 423.5048151 454.0699413 22.93981072 447.6646853 40.21574973 10.11997169 22.93972384 34.41029333 525.6140298 16.61476981 5491.518044 6303.347971 5830.387985 7244.715931 6103.827511 6631.133387 9822.904845 9364.252271 9595.696423 9841.796479 8844.909831 9344.436376
PC(DiMe(11,5)/DiMe(13,5)) 150008.1123 69311.30138 29410.09161 50057.57409 25982.00442 58506.86693 91801.01875 85889.11368 75228.55295 85960.71039 101007.7578 79362.41495 363.8331707 24756.19912 20984.21125 19227.91432 19855.1582 19922.50054 11394.71732 15836.389 11921.88995 12439.89998 12871.64235 13861.08787
PC(DiMe(11,3)/DiMe(13,5)) 1353.727232 768.3433828 138.9567857 1760.238398 2343.190505 669.4816279 3201.444094 376.3890483 1330.855263 1140.450599 3351.298904 4583.008514 7897.928597 5126.599274 3287.061635 3521.765055 1514.106468 8575.20828 9102.585219 5419.286667 1852.738317 7007.231969 1604.029542 3845.613815
PC(24:1(15Z)/P-18:1(11Z)) 22523.22232 31261.74016 29941.37316 41700.58709 44070.34099 24531.12507 26059.86118 20023.48218 13323.21153 20365.46601 20868.63801 16618.74666 5658.67019 4086.134806 3230.081017 5347.906872 4750.692498 4207.429503 915.8320268 688.8579188 1837.659842 1058.552686 1092.703362 1291.345205
PC(22:4(7Z,10Z,13Z,16Z)/24:0) 754.0983393 322.2057676 482.3561006 288.2988433 444.4581839 227.2615336 2083.580308 2824.423024 3023.22167 3294.296173 3446.071914 1831.247232 4163.051332 9985.147673 10874.08778 11013.07926 7778.000454 10662.77486 13.43569683 56.08792247 173.9038653 127.3857107 93.92338015 37.0748362
PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 56580.28737 59697.7675 53736 59317.43516 53184.25615 54808.14442 58959.13901 61948.33747 58385.49883 60408.8551 62586.01102 59447.93032 4276.662827 4974.626582 2204.43643 3497.153606 3937.402585 3326.364625 513.2504128 909.4951854 291.4810533 90.5489741 280.4625364 180.6972961
PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 545.3421167 976.3142531 1001.210516 191.4489833 765.9920889 962.3227282 1305.332053 628.0209375 254.538814 1162.803154 938.1707708 810.5835221 11712.45535 8932.514061 12585.08105 12062.37052 9763.746002 6824.368489 6950.52838 5592.590874 6248.521339 7416.860834 4970.07119 3356.506571
P60c-src Substrate II,Phosphorylated 5572.508087 5854.248254 6215.229991 4645.485145 5648.232853 7046.854054 8497.986194 7970.72828 9224.910961 7057.568533 8608.371455 7013.998748 804.9481283 110.782028 307.9535695 433.3196313 175.0653495 453.3218938 193.8299009 294.979195 421.7849701 379.8593224 371.2517514 3338.760162
P60c-src Substrate II 159.6756356 151.0748121 123.9095427 127.0646841 143.2195399 146.4417505 176.3307418 140.9282855 114.8272328 100.5327327 118.6742351 207.9655514 364.5810232 370.6025764 181.0966658 158.3465422 255.637056 426.1582606 2121.688735 2054.680579 2274.609725 1851.685331 2116.316437 2146.342828
Oxyphenbutazone 307117.0843 316853.1318 316519.7525 318577.724 306450.6632 295057.2132 480382.3667 466788.7155 472075.7878 455924.2587 495167.3012 466813.3487 3478225.137 3381633.779 3449997.365 3626506.164 3315429.581 3577783.035 3824172.169 3602916.229 3837765.93 3648670.271 3733265.551 3813575.15
OxIAA-Asp-N-Glc-Glc 15094.23597 13860.99005 7601.599148 11182.58016 16651.90654 20127.26243 16369.79628 18587.96385 12018.8918 14330.55563 12897.97286 17300.09766 673.6309307 1009.988494 555.3549873 506.8154299 351.6267077 279.844101 137.0691131 377.6051717 397.8876181 336.1307476 132.1739182 498.1570879
Osmanthuside A 55298.69761 37624.29107 49478.02767 48097.59702 47179.11004 47469.15908 32216.3064 35818.94614 32005.99967 34871.58574 32729.70565 30582.03274 73181.56754 66547.14052 67955.15665 68622.32114 66293.82678 68405.20369 110858.4937 115736.6771 109619.4337 117054.4748 107405.5853 112968.0025
Osimertinib 1381.632557 596.1189482 267.4046739 274.2073934 474.0736653 483.2631639 463.3190869 665.6333187 301.8416126 280.791905 311.4586413 137.8855359 4750.229593 5009.738996 4595.871366 5388.104262 4185.600087 4322.111416 11039.137 11717.82101 11212.29005 12388.34709 11843.02058 12564.99717
Orixine 842.7363422 1064.351824 1477.751815 1291.264693 1349.68453 797.6620486 418.5883923 126.6839725 574.5979828 574.6724073 206.1754781 1264.200223 12414.70884 11652.5133 16106.5304 12737.42653 12336.5095 9690.201559 4682.489076 5340.432188 4731.19506 4799.227497 4627.635635 6582.860711
O-Core1+N 1295.560604 1202.982732 803.2660298 63.92476587 793.4595938 1538.015411 14307.61156 9158.60754 10613.19861 3775.888019 7407.111446 13233.68189 55.52023863 178.7840658 48.26179889 83.28027336 227.1736868 100.3439101 820.6407595 645.9698765 866.2740283 669.6084849 1084.713979 647.0034887
N~1~-Hydroxy-N~8~-(4-iodophenyl)octanediamide 1200.908513 1018.340156 795.2632618 925.8673684 445.5000951 990.5372291 1311.898906 632.7224057 1167.492572 1714.016903 1069.412705 1275.887161 6903.459898 6994.715579 8071.832655 6595.815877 5795.616448 8715.343253 20165.67864 19258.51299 25220.81794 22545.0392 25831.76554 22585.03871
Nveahdylaanzew-uhfffaoysa- 8706.276571 8581.283303 9082.68399 9634.490379 7762.815297 8012.521655 10744.69358 10805.35989 10754.1486 10592.3495 11254.84363 10551.24866 199202.915 190723.711 186266.9088 196947.505 180933.1778 177908.7671 147732.506 145920.0125 160306.4704 150582.0598 147960.5015 164313.6216
Novclobiocin 105 885.4490232 928.4059184 889.3476285 1123.782971 733.545897 1029.477705 4627.309501 5966.566898 6034.798246 5795.704581 6386.531281 5615.206666 207.4404351 200.5248431 228.4782475 58.77437197 245.0287137 236.5690171 363.4240266 136.6012486 17.94872687 54.14043814 175.8088047 162.5778189
Notoginsenoside J 793.1969043 978.1311054 633.135426 504.8548473 784.2547332 109.522217 610.5631425 352.2173953 318.5654698 106.0632778 1038.18582 2259.845824 6157.158148 5992.416813 6899.26987 6907.089743 6569.708353 6402.860226 18727.7981 16255.2148 17574.19361 17070.22159 16232.63743 17622.02545
Norverapamil 528.2876785 489.1637469 210.4882867 23.35457689 312.7220287 152.5808937 930.1715608 747.8785758 793.4753559 718.9543377 886.6989054 261.0635804 5024.90206 5581.101167 4983.194753 5474.625729 6053.330674 5295.506095 9229.946585 9257.972293 10458.67622 8546.443062 9016.613572 9968.816548
Norketamine 669.1891469 86.91962657 353.1804202 738.4408041 464.8138153 383.3463377 1894.977647 3854.197808 2484.395824 2321.594958 2909.348776 2735.904995 57.58502197 54.001661 175.0772643 190.4758215 125.5870117 48.00147429 10.16701241 18.5005754 197.3121052 67.50241376 137.1924152 81.25255439
Norfludiazepam 11598.08826 782.3479792 2382.044559 222.6911124 364.9299263 227.025664 505.1859185 1299.261264 1254.253923 960.5254932 890.4969395 552.287451 7599.184955 7931.737315 7705.584718 7620.700678 7810.131047 7230.34332 432.9528948 1024.144559 910.9969498 1133.55834 604.3989051 974.818318
Nordihydrocapsiate 13447.37636 16004.00451 14241.25678 12499.80269 13443.92822 14173.6396 13343.28615 21040.71536 18361.19125 18691.15602 11024.79947 13148.49528 14572.99818 14032.64612 14007.37651 12639.96677 13538.39726 12888.30023 16138.75483 15876.58234 20204.06455 16256.02958 17366.97796 17034.79455
Niaziminin A 95.2489696 293.1678507 190.8677723 109.1682307 130.4496441 159.6324474 213.5053 224.8931509 60.27810169 309.6743587 170.219333 58.89781779 1019.093092 2797.642287 1097.08397 803.4032334 764.0555699 1037.382454 5027.018405 5519.02965 6368.844244 4111.684949 6117.833292 5250.795483
Neu5Gc2-3Gal1-4GlcSp 644.3903309 959.8215843 356.4231292 241.9561262 550.6717517 1158.342664 1722.140795 1718.854923 2146.673186 1567.502193 1417.358508 1478.765148 9525.006932 10169.37501 9697.321156 11601.73824 9707.36107 9669.240588 2794.141003 3243.948217 2874.268988 1569.048754 3200.619187 3698.175637
Neosilyhermin A 18636.7694 19131.50405 22643.24746 16267.19231 21508.50275 22338.70523 25213.29826 22529.69888 22868.78535 27306.21814 22284.97227 21773.12154 686.4256291 707.4872702 966.6406269 738.2060626 1025.006814 1100.269848 828.0211906 469.7709287 1643.844768 2414.080375 1046.379752 918.8813679
Neobignonoside 100470.8292 100626.5216 97590.93959 97680.55367 95852.46685 132181.2772 112081.7407 113383.1751 115818.1931 111850.2721 111834.3902 112001.6749 39965.20601 24991.56604 41054.53449 3548.997031 21743.13522 26636.55264 6149.971902 3330.58277 4534.611903 5282.114332 15603.62508 17554.3327
Neoagarotetraose 214977.5422 211486.9417 231730.3121 231410.4375 201718.3904 203371.3955 232489.4649 206533.5077 201846.8066 198307.0278 205852.7393 200165.3379 98756.18333 99071.00667 103499.5424 100627.8461 99797.59543 98198.92974 71027.88576 69887.59504 72531.01227 75626.39361 74370.32907 73024.25449
Naringenin-7-O--D-Glucuronide 23332.29844 42733.61673 1634.710003 54410.55408 7852.853052 21563.19003 48547.45249 52308.73807 51194.68741 52143.95521 128183.8623 50507.65261 343757.5193 331105.7373 344220.7396 352231.04 315803.5888 338609.1033 441476.612 434579.7418 444507.7633 430659.2666 423485.5856 425805.1097
Naringenin 7-0-glucoside 346553.2408 324215.7001 322165.7568 309739.157 318116.0725 312090.2056 381677.1973 377359.4958 404790.7282 389620.7682 368072.0169 387831.3079 35337.01474 29585.63933 37416.58827 29604.59491 30737.91118 37969.28832 9810.080052 6835.661679 5364.555171 9155.87071 5304.344798 14022.84404
Nap-Tyr-OH 680.2698709 5805.643198 6132.606113 287.0458502 334.7132649 596.121417 2035.927348 815.5110287 244.9472526 1100.686055 438.3958728 204.7695834 1727.230322 3621.153561 4629.864509 4598.62006 3611.901101 3382.057256 2603.096554 2778.345186 2034.648159 3931.729444 2211.811321 3236.500373
Nap-Ser-OH 46644.34423 47878.22818 48315.20259 47789.36646 41896.4605 42245.84699 47818.58464 42652.27567 39985.10762 43784.78188 38284.30677 49764.16789 5880.800717 2538.341534 2872.683612 2883.748028 737.6024156 1109.466038 4380.478649 5272.229651 3364.455417 4896.191346 3304.243731 3790.398597
Nap-Phe4Cl-OH 183597.9848 176057.4962 155687.6183 160279.7997 162211.3842 158377.1773 192576.8124 190688.7063 194401.791 200503.2331 187457.3549 192053.4199 44404.50056 41612.06844 18283.68599 34568.54788 1065.938088 33168.40082 21387.2227 25423.5786 15385.54358 31379.7444 14491.23 23220.19365
Nap-Phe-OH 6443.670521 272.3349398 184.3507812 7238.980471 5680.302341 91.27674498 7861.763453 9411.128398 7861.974398 8921.95358 7385.465244 10492.06576 134721.2286 135837.0442 126442.0765 284056.2923 146980.8232 130430.9213 160533.6664 138991.7101 165047.0781 157031.9267 155182.0845 153619.2113
Nap-Nap-OH 2247.215974 1167.748074 1851.454133 2285.166108 3332.411423 2761.218457 3329.292907 3263.145055 4803.665343 2752.014108 2913.490584 2864.13878 6351.052028 5026.854558 5589.264303 5734.132811 7118.513901 6287.96305 7427.970494 5412.009278 5158.452223 6617.957218 4882.19569 6634.848102
Nap-Met-OH 72272.17974 67927.91701 107147.148 72254.52271 101265.788 68938.58554 79640.49291 77490.1829 133281.4001 136554.9824 135349.8964 84513.03747 35308.61975 41582.38707 39476.39545 40676.49935 31618.30298 31671.85609 4677.855051 26628.60382 3524.021121 26232.7736 25400.75184 22597.71213
Nap-HoPhe-OH 1171.865331 924.021155 1111.053754 939.4674494 737.0491762 1000.028721 57.34854127 55.73018507 11.44729439 66.38493257 63.9605546 13.40540976 78.93071041 95.71058226 12.18997966 45.22545086 21.77484038 42.57612494 42.97768713 26.91125699 27.91535398 65.16998263 30.63921844 18.67721648
Nap-Gly-OH 80345.80278 79947.45209 79445.85873 81454.71658 77801.83167 79920.84171 75027.35952 74732.25309 77240.1304 76099.79518 80539.73802 75943.01967 742.6055276 302.9860174 626.22184 1750.150266 1729.064339 103.5140338 87.89885221 1172.731273 124.5859086 185.4676009 1140.305897 168.1156509
Nap-Asp-OH 136034.3475 249454.7244 130172.6155 234436.3416 122573.6087 221043.4509 223018.462 229622.2299 211937.0285 339616.8693 232593.1364 341804.186 2444799.512 2445743.966 2470896.477 2644514.124 2531483.686 2435198.232 606429.9498 614596.7824 612627.3547 615432.703 618716.7578 640160.6873
Nap-Ala-OH 8279.610315 7488.778745 3842.155456 7346.118074 7671.700184 8472.327661 10975.93527 12006.23292 7666.220661 12384.08132 13334.88155 12135.51318 5563.419635 6326.570324 8381.825376 7530.592301 8231.232638 7922.722351 7580.119453 7315.749352 9072.907367 7494.70639 6917.618646 8016.953228
Nap-Abu-OH 59429.21625 57367.25863 58579.36009 57792.69635 57692.45466 56543.47329 76136.28903 39874.76717 71239.67079 42574.40206 71611.13537 41442.30226 804.4332518 2016.942609 1242.738909 1702.803174 1295.97867 1328.276932 1698.318203 1278.075849 39.50099433 1117.845372 448.1942031 1526.037852
Nafamostat 358.2570353 779.3949986 1196.392871 863.5942883 1155.844132 893.9604278 5872.012909 3368.866636 1096.609409 6954.002308 1592.143299 706.806056 64640.15042 65031.36616 65175.42836 67878.61553 68340.83909 67540.30469 118594.5052 111518.1246 125521.7659 123143.591 118596.2748 119055.5414
NTP 480.2734247 320.3204278 420.516159 272.5627731 736.156544 141.0836043 472.9049491 356.7114754 513.92282 510.9969794 346.6712397 396.9590543 598.4823096 468.1685399 473.7345423 389.9330138 466.2997706 361.7161922 404.032414 328.9764515 561.5481725 601.5386877 535.9588428 512.2829693
NSC 23766 trihydrochloride 629.7319058 498.7163846 31.62563786 78688.46605 804.540091 301.662738 358.6882949 1932.542785 1370.54533 4672.142417 1162.715501 1275.408774 759.2077159 1843.115154 1796.864046 1091.311412 1617.680364 1805.680564 8809.603537 8148.812083 9269.884334 8502.210518 8759.667114 8417.018277
NCGC00385486-01_C25H34O5_2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl ester, (2Z,2'Z)- 767.9829982 838.8006979 163.5820148 190.645649 781.8501689 296.8340819 410.3055401 505.2636495 353.9074742 319.6156232 406.9188059 618.7462539 679.8953225 559.887922 253.7743826 207.8772267 426.105404 313.767352 2820.005375 3100.008872 3186.924729 1313.263001 3346.681348 4322.259444
NCGC00385325-01_C36H54O13_Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-, (3beta,5alpha,17alpha)- 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 94.0676895 623.3840206 301.0153128 142.1869463 459.8423683 196.4572105 1540.183797 2173.894777 5394.111175 1680.481204 1575.276229 3119.127032
NCGC00384853-01_C39H62O16_20-Oxopregn-16-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside 3153.605441 277.633477 86.17765195 315.6136434 3540.787375 763.8261181 535.0548335 179.2401861 3276.137546 422.8897043 280.2980607 90.61923335 24574.94062 24843.89058 38506.79265 25334.0506 24952.76157 37535.84216 134664.2074 143044.9295 141490.6204 74078.39214 78625.00528 90859.09732
NCGC00384750-01_C20H28O14_alpha-D-Glucopyranoside, beta-L-fructofuranosyl, 6-(4-hydroxy-3-methoxybenzoate) 433.1904614 309.7101118 329.6908818 123.0436408 282.2199054 482.0990165 2234.64708 3056.743516 3362.606272 1992.358299 1809.944028 2249.99345 228.4078968 53.6684826 225.1680151 68.67047906 144.3835722 68.17843568 285.0450556 235.1916046 22.81971862 135.7268413 361.4384231 224.9501685
NCGC00384623-01_C34H36O15_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,7-triyl tri(3-furoate) 36082.31852 38471.8765 35712.81229 22634.19546 32534.84275 10741.85108 38659.50034 41831.24995 20234.96263 22287.87742 39780.76299 38288.70818 35680.30584 39701.91348 36414.36907 44734.91061 40397.21346 40146.88422 66531.39685 57673.38826 60684.83157 65908.34927 54982.83844 64902.06828
NCGC00384622-01_C34H42O14_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-5-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,7-diyl di(3-furoate) 18688.93919 20426.84902 18130.09661 18092.45147 20910.55341 18365.70709 17160.52902 20367.4365 21654.77789 17341.06462 11525.26764 16975.0708 2271.125281 2292.464516 1645.279264 103.8567882 1174.002211 1391.256452 942.0740905 386.9636397 285.4663045 548.1632039 352.6695173 891.8164123
NCGC00381209-01_C34H36O11_5,6-Bis(benzoyloxy)-3,4a,10a-trihydroxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-carboxylic acid 1764.490295 38.0784871 421.2234499 1868.991657 345.4039094 355.2031293 1665.885157 303.280281 565.9706318 533.8033032 157.0007748 187.6350344 20012.23994 20983.87975 21212.59752 19574.9864 20509.82164 20896.30061 42016.6153 39592.65687 69355.67665 72129.57423 39627.80486 44341.79356
NCGC00381101-01_C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside 387.0331638 700.8298509 425.1523152 346.5471652 555.7780453 281.9647893 390.3220484 2068.421717 259.7855862 1515.788255 218.2030449 420.4527667 4552.178618 4112.865129 8424.054985 5561.993088 6334.292976 6768.642384 16131.31022 15452.88323 25354.98216 13708.84013 23672.81578 19849.87348
NCGC00381061-01_C30H51N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9,21-tetramethyl-6-(1-methylethyl)-3-(1-methylpropyl)- 806.2988885 811.132047 957.0016082 904.8567981 501.0319574 699.7669599 333.6027148 469.4538366 185.6427473 520.9805341 176.7062782 267.6227727 3470.145195 3347.671332 3395.140495 2679.066299 2826.248373 4107.245519 5422.117157 5707.475372 5740.737343 6028.125856 5331.205821 5727.051381
NCGC00380994-01_C21H30O12_4-Acetyl-2-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside 17049.25867 15511.4767 15287.56813 18498.34046 14632.96027 18347.93997 13651.54837 14987.13854 14518.5104 15962.44227 14772.68672 14047.06283 5075.65215 10191.27259 4643.715391 10846.24167 5184.006958 9083.862288 3813.690527 1387.07762 6457.122586 3251.652168 1139.566514 3192.023587
NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid 148366.5284 138524.5625 139118.7377 136565.041 139590.738 137325.3609 142194.7064 140758.8983 149543.6674 128759.0325 123163.2723 134750.2238 9830.287661 273.5591432 91.9603814 282.0679878 155.1826883 7290.998572 195.1708273 8813.241406 7134.866583 7559.558005 9524.784904 390.2625523
NCGC00380744-01_C22H32O11_beta-D-Glucopyranoside, 4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- 6717.394473 2481.435277 5398.982615 11292.09361 2570.917002 2837.205858 4592.493341 5563.249458 4731.147773 4594.363533 4110.039945 4190.612219 780.9569789 574.9084997 6.444905015 615.9953623 142.4850722 82.73881637 22.64441811 354.4441503 32.05052895 50.51414772 361.7397799 72.46185717
NCGC00380713-01_C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]- 82.31036873 112.0817547 123.9995182 73.56922855 111.9518682 80.19884746 25.70042834 40.60195707 116.1419761 202.0342737 53.29819465 80.00101798 373.0258752 497.937728 506.2201536 696.6485993 195.2753337 439.7202455 572.7764302 300.5212636 277.9089133 568.2056014 156.4394877 394.1674337
NCGC00380579-01_C33H42O17_4-(beta-D-Glucopyranosyloxy)benzyl 3-(beta-D-glucopyranosyloxy)-2-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-methylbutanoate 4831.677173 5080.773591 3783.035881 5843.339061 4141.507812 5789.371847 12220.71349 10876.70323 7498.187792 11903.45207 13809.38134 10069.47346 706.5054861 772.1898817 894.1628835 845.9810055 1157.777391 1010.057746 449.393834 218.1877153 108.7028534 266.512837 56.28296255 447.5428628
NCGC00380575-01_C49H78O18_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-pentopyranosyl-(1->3)-O--6-deoxyhexopyranosyl-(1->4)-6-O-acetylhexopyranosyl]oxy]-, (3beta,5xi,9xi)- 212.6172102 125.7025236 240.3513852 71.89918367 156.7030986 199.7064453 192.5873452 249.2949341 316.3577212 39.54472663 122.9989092 199.8488617 1408.728844 871.1331679 1188.76925 1171.720727 207.352538 180.903867 440.5104469 507.5287922 1030.852007 1882.790599 272.3172608 522.5558121
NCGC00380334-01_C34H42O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 2-acetate 429.7930361 210.798632 305.6616519 330.6118193 1226.273199 357.8916092 326.6916252 309.6105806 707.3870289 486.0865096 621.1325941 562.1141675 3449.590462 2766.8707 3825.958326 2048.439543 2918.688002 3824.961235 7418.110688 7060.343231 7972.880714 8337.813623 6500.844503 7503.76988
NCGC00380205-01_C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo- 3213.676255 2077.628338 2132.93797 205.1171981 2239.23203 1918.66389 5155.794031 1011.026744 1738.356417 3565.823308 3468.507116 2559.918966 74362.47722 79383.09376 111947.5683 108722.4356 75277.36019 124596.0882 164116.0399 90982.70563 97033.71173 93947.22235 85648.25481 100935.0534
NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside 3174.089869 3491.630814 4230.606775 2768.460375 2189.787094 3375.98217 1987.650626 1155.179828 2339.024851 1222.161722 2035.124446 2404.783837 1927.726581 2055.576361 1900.928328 2752.672931 2201.763773 2538.168893 897.5821883 321.0521279 446.0900466 1701.150986 1817.728094 392.9306146
NCGC00179726-03_C40H44O22_1,4-Ethanonaphthalene-5,10-dicarboxylic acid, 1,4,4a,5,6,8a-hexahydro-5,10-dihydroxy-6,9-dioxo-, bis[[2-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]methyl] ester 13382.52764 7651.21663 542.8812785 10599.03173 8416.037397 10365.43416 7024.697953 8509.416497 6473.675994 6814.64404 7226.557266 8239.200837 2583.297855 3676.490401 5088.536282 3647.884478 4671.836166 3158.914196 6605.801178 6048.789916 7620.714225 7196.535708 3082.532394 6614.944724
NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline 272.3373952 110.4322513 180.312018 267.1348999 62.79275305 86.53757774 99.2206912 233.4222892 214.6101418 278.0622843 246.2832416 311.7847396 4081.290709 4560.128251 4100.529968 4211.692844 5027.998506 4971.839598 3947.05545 2603.53642 3343.67031 3258.465861 5381.939432 3169.309463
NADP nicotinamide-adenine-dinucleotide phosphate 1951.020994 3651.987313 2041.471676 3348.729035 1075.278621 2636.722291 4850.54481 4612.516627 5417.145221 4450.496852 4231.083369 5549.571575 41.82194573 479.0301312 157.7600591 231.3644094 502.7361397 456.0036937 382.3828505 476.6658257 188.3249896 112.4905997 334.4496826 169.932773
N3'-Acetyltobramycin 140.0567536 340.2749077 700.7270796 45.81520438 42.82221342 459.8663464 205.6969123 178.1952968 200.4219333 210.8874652 368.4771898 325.6383856 5913.250312 6041.073631 5478.637843 6388.764787 6618.479153 6203.974974 17487.23311 16341.48505 15966.03797 15974.99449 17206.80761 18160.12343
N2-Methylfangchinoline 700.9042338 708.280249 1125.450655 707.174555 1222.955434 1437.616527 1173.116534 892.94689 1150.250568 1600.288895 912.3403271 724.3789554 2987.605112 3080.301285 3199.45243 2475.99494 2450.157447 3104.226571 3242.448626 3135.866056 3222.757513 3326.085436 3570.213465 3627.086654
N-tert-Butyl-4-nitro-2-(trifluoromethoxy)aniline 928.7091091 159.0070617 1058.716836 632.0283884 425.7977651 1143.550135 1296.450988 185.3410495 1126.919885 317.523995 984.5690881 95.00386427 7995.72944 17320.45749 13517.68638 15415.5571 13937.08145 14891.65493 13717.26654 11053.914 12441.96702 12972.38131 11634.81241 12361.01119
N-methyl-L-normetanephrinium 2637.172616 2693.981153 2992.56059 2953.434502 2328.783577 2988.208032 423.3122207 2913.726429 736.2998297 2373.336015 1141.751944 1958.395662 9152.208971 8042.387615 10592.51361 8731.166316 9435.606174 8871.563865 5178.637468 3249.543373 3597.744925 2768.601279 2751.446872 4021.445173
N-hydroxy-L-valinate 10551.53962 10431.47354 10719.28466 9364.443999 9452.029149 9365.571867 3246.661015 3386.375392 3981.672645 4238.295873 3904.399663 3879.438248 20741.30514 20737.26007 20403.8976 20786.34712 20921.71621 20529.99749 2503.853841 1521.618798 2069.795536 1252.865674 1594.675917 2018.646801
N-dodecanoyl-L-Homoserine lactone-3-hydrazone-fluorescein 41893.931 42128.47948 33907.80456 37509.68693 32473.39994 40399.15911 35216.00984 37971.22317 35895.71263 29610.45765 28808.48862 29852.20917 527.4925671 604.8114094 1359.164255 289.1508912 64.97974098 408.4446754 435.2821109 216.8069113 784.1639887 688.432694 542.2523305 1081.629903
N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin 98.77851894 81269.4197 78252.70684 79928.58137 75391.32546 78424.60367 86541.3632 87769.81539 85632.92169 86976.51067 91376.59184 86782.79068 365.2465954 430.4349881 355.8089029 693.6322493 444.939427 660.1419451 2366.063611 1748.796313 2317.602453 2098.00618 2130.255312 2114.462896
N-debutylhalofantrine 29019724.08 28181636.83 27960584.78 28559393.87 26938180.57 28022005.47 30922216.24 31361156.22 30597619.73 31077699.4 32649898.59 31008481.03 23101469.68 23685623.8 23600107.57 24602478.53 22929633.27 23570352.75 1182928.742 1296840.505 1107477.954 1400811.282 776434.405 1313978.299
N-benzyl-1-(5-fluoropentyl)-1H-indole-3-carboxamide 9.366122057 339.4508366 9.63337007 151.3181614 68.23524048 169.8045456 79.15365627 208.4168055 138.8298479 80.69396016 64.50205033 106.7835941 2948.208171 3644.095865 2969.042375 3783.758343 3494.68364 3060.458849 4052.110979 3832.806385 4392.798376 4468.199009 4497.570647 4370.213483
N-acetylphosphinothricyl-L-alanyl-L-leucine 390.6743641 161.2455512 284.7593185 404.9342282 367.6596319 54.18161079 143.3281041 213.8743597 51.53326082 142143.1153 149334.0366 78.98025994 7169.075029 6930.318267 6839.684963 7908.59727 6858.80745 7387.495477 22875.99518 21188.56351 23147.66252 19981.64394 20247.86291 23191.48925
N-acetylmuramic acid 6-phosphate 1663.506686 1416.195116 1934.500168 1698.920852 1788.909833 1688.898859 706.4307888 675.9642788 578.7456781 530.2522514 677.1574518 522.2640922 1304.490523 964.8867065 1018.168312 1161.019286 1327.738686 1090.516704 116.0461301 50.20669506 111.3672331 354.9560387 48.72353283 364.1161473
N-acetyl-L-2-aminoadipic acid 6-phosphate 4718.199817 7748.064612 6705.046539 6247.323902 6844.617562 3701.078916 107130.8214 52249.94 120833.2663 40422.95039 102409.4177 84314.56054 7285.499459 8695.126414 1396.151941 9885.926468 6048.01769 10342.34022 642.6652693 1089.850465 638.7224401 1305.257246 2271.254371 229.9813904
N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 1464.475996 935.8101888 1113.30151 974.0529375 970.9220946 1177.279034 17212.95469 18102.972 3200.720269 3347.605785 6574.846995 2304.630045
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-) 3675.983435 2483.597319 3364.520898 3714.550732 2506.891588 2929.002649 3682.496096 3624.665339 2919.394073 3455.225831 3567.535908 4491.935373 44.70388396 189.7194519 179.4771901 314.5223182 250.6608299 61.46810941 216.3541963 73.44214435 118.4195491 92.63066295 126.1194292 266.4661605
N-[(4-methylcyclohexyl)carbonyl]methionine 518.004171 491.6044022 452.7171105 292.16844 313.1641534 402.8060964 456.949201 194.1126595 297.8339887 509.9592328 259.8372363 413.8656081 1750.56759 706.0551823 1518.086426 1584.326397 1213.636807 988.7089364 2932.279006 2458.733493 2835.065075 2970.836497 2115.182741 2971.71559
N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate 604.4332951 201.6931986 310.0814503 528.4659585 768.6240832 64.91905076 121.5845172 1566.889703 1353.061221 1492.205186 2409.075392 1601.125936 1145.836844 770.7155671 677.840431 577.4169074 1698.491527 1005.28136 1015.279017 1124.71695 922.2089449 434.070349 127.2580552 1789.328687
N-Methylisoleucine 10402.72676 10323.69434 10863.51773 10184.44255 10495.71959 9433.846718 5352.328286 5129.770154 5634.175943 4682.184914 5898.843906 5400.592558 48950.05846 49142.32294 50074.058 53563.50548 50245.17009 52174.06148 44592.16558 42930.94806 47804.55293 44373.53557 45521.75895 46819.88102
N-Cyclohexyl 4-(4-bromopyrazol-1-YL)benzenesulfonamide 29314.13679 30068.37629 24751.9592 30448.19943 31431.93572 39512.47522 87538.61318 86514.79439 67381.97224 98860.93734 96258.32037 82325.30605 207030.7403 181227.8589 220315.7964 214920.0874 181485.9396 188367.6073 20437.73891 25461.58388 19405.96776 22121.84389 19245.50507 20561.21781
N-Acetylneuraminic Acid Dimer 85.59446236 45.38807797 209.2511156 335.4960508 375.7897268 128.6594938 123.0839434 36.28460805 292.2484864 120.1693927 87.02493673 176.3727254 10755.45891 11814.31602 10422.9604 10824.12254 10914.3724 9794.546487 7833.889562 8218.137821 6798.899321 8491.84102 8115.233751 7966.017707
N-Acetyl-O-demethylpuromycin-5'-phosphate 1254.855397 1339.154716 2397.720344 2808.408947 2210.345754 2860.947191 10754.96734 12564.08725 11417.73938 10891.02431 11277.56107 10818.44824 169.2599726 342.7872354 501.8833234 481.7959528 581.3072209 147.3307512 206.9453017 188.5176968 283.4207926 189.1621996 116.0031543 245.284467
N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate 1486.021495 1904.046729 876.8660568 1761.340131 985.5548129 594.1882587 1819.370741 2804.441667 1689.979884 3680.005738 1272.168842 3225.866938 46707.17846 31356.92401 34238.44977 33778.6713 45964.17139 32464.01183 27112.54483 14676.44107 27394.53387 25558.35242 26995.00444 22734.0655
N-Acetyl-1-aspartylglutamic acid 2115.21645 211259.3065 198134.9249 227213.7009 168452.4879 2148.927287 331054.805 401.0007068 483.862927 383034.4588 382195.2883 392254.743 3396307.251 3593641.467 2955738.058 3479802.573 3071685.899 3050176.891 473075.6545 400611.6324 481275.6572 454855.4991 466423.1133 528947.6282
N-Acetyglutamic acid 15189.59367 14577.09592 14143.22916 18634.7605 13247.18874 17089.12587 7965.147711 8957.24673 7940.174933 8918.131485 6110.698319 8224.751549 44325.27484 40563.09756 39899.01134 40166.75502 40663.34957 38777.17677 82955.58753 96764.51494 83568.71817 97492.56831 77582.5419 86805.81346
N-3-Pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-1-piperidinecarboxamide 7128.993535 8998.623355 3376.161244 12679.42874 7260.238128 6125.890649 24370.21142 25501.54699 26380.46092 24118.43814 33603.11807 24719.09885 1828.401067 2178.174999 135.8391497 110.671251 826.8217518 571.0140054 180.3435956 119.1039364 348.7341141 1030.427785 278.1062365 500.376839
N-(docosanoyl)-1-beta-glucosyl-sphinganine 981.4957666 921.6546151 1040.976624 1695.107489 1023.121544 1262.598889 1476.875313 1850.082823 695.0452569 2940.88016 1146.811389 3700.952252 7096.669436 4364.044588 3852.406758 6045.852881 5458.15742 5915.12483 5673.951501 3236.714566 2567.407937 3449.120005 3966.266796 271.1967466
N-(Hydrocinchonidin-8'-yl)-4-azido-2-hydroxybenzamide 96292.68318 96242.65611 93044.5765 114564.1505 101654.3118 99749.8057 97293.08226 107244.6021 92971.87926 91315.00672 97849.55215 92709.15045 2892.025426 1186.234588 925.7153764 5993.469545 741.0975667 768.8813032 3841.370035 1722.228247 1540.859529 1477.434621 1097.092034 2990.326687
N-(Adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide 717.4201386 309.4660645 559.6234501 183.4492249 468.0520663 216.2945877 1013.993019 1276.356678 1455.178967 1275.598583 1558.496667 941.129381 2110.273813 2003.561068 2089.354846 1836.025286 1979.614141 2005.042249 4961.399159 4686.73446 5291.584419 2929.430582 3411.895477 4570.376087
N-(4-coumaroyl)-L-homoserine lactone 8514.188894 7471.984854 7843.700105 6969.477586 8330.989379 7741.026713 8507.37657 9126.288345 9710.7951 9287.39068 7459.664949 8660.397506 4136.006039 3918.902069 4216.081377 4057.598199 4155.237792 3759.136229 5510.042351 5734.364112 5884.816786 5727.84496 6253.801105 5469.782457
N-(4-chlorophenyl)-N'-[4-(dimethylamino)phenyl]urea 1493.699954 8746.796274 8812.804138 921.1701441 340.5170188 8646.427084 1817.250672 2030.801302 1795.912852 1768.999488 2086.868436 6328.789104 946.6264516 1086.063509 912.5502383 1027.354612 883.98373 878.4414408 376.5077109 258.2154107 315.4274535 710.6073555 425.3210542 634.9426671
N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide 4929.157633 4532.035149 4661.833945 5845.533399 4162.901852 5254.424443 3821.862187 2058.333699 4013.831015 4441.26532 8611.418729 2710.989112 60.60025006 23.91234059 376.8783184 240.1913035 19.92699058 21.64291709 13.55031762 188.3212726 109.750052 8.46897471 1316.757019 120.5585362
N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine 39969.84571 40326.35761 38683.62577 40786.47196 40235.11432 40254.36041 34111.09619 34384.38955 34913.00137 34470.84275 36542.07352 33803.34992 1059.912014 859.8107276 887.6643663 739.0790947 985.3208832 375.0979708 681.3059904 764.4194836 833.9423951 952.3311076 860.1380089 1059.19578
N-(3-(2-Amino-1H-imidazole-4-yl)propyl)-2'-hydroxy-3',5'-dibromo-4'-methoxyspiro[isoxazole-5(4H),1'-cyclohexane]-3',5'-diene-3-carboxamide 4497.425508 4227.271037 3721.988198 3599.14851 3357.897817 3646.845225 2780.970394 3259.746085 3110.997905 2729.43364 2942.626467 2650.894625 2753.888708 2498.028111 2139.148695 1984.420449 2050.861145 1800.071402 323.1805943 502.8674032 273.2334065 160.2976119 209.5976161 30.26138746
N-(3-((4aS,7aS)-2-amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide 3859.557108 2862.922307 3986.972105 3454.755405 3397.592629 2011.400893 671.6597204 671.6579267 227.1789515 1059.133348 976.1168673 196.8418526 182.6315905 227.885652 311.269667 148.2520956 71.09475786 25.1818405 303.3432634 24.36778418 235.6879949 351.2535487 199.1802012 73.37510883
N-(2-Fluorophenyl)-3-(4-morpholinyl)propanamide 2794846.091 2800257.609 2691580.679 2752107.097 2595372.837 2714325.526 2975761.103 3018001.947 2944523.96 2990723.831 3142036.054 2984062.688 2223139.937 2279349.813 2271126.435 2367562.521 2206500.466 3683.628499 13919.3813 6624.232614 16097.53932 1771366.829 1738097.245 1159.70109
N-(2,5-dioxopyrrolidin-1-yl)-4-nitrobenzamide 137170.3971 277041.6995 236439.9031 201832.9767 110704.143 155182.9446 451343.0379 524934.6417 532247.52 320203.7543 286153.7754 282181.2917 5960.198122 2649.883096 166.9003989 881.3846272 1365.169537 597.9466761 822.2498326 2105.685517 264.1071829 506.0297185 945.8690093 389.6473273
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide 322.2442019 294.9725777 286.4174631 162.100256 126.1616746 204.673756 173.9811078 236.4507414 226.5756469 33.63938076 41.48173961 146.2987956 1705.21959 1745.023175 1027.755875 1556.53886 1112.88382 1122.693191 4581.396113 4265.841095 4369.65919 3852.888924 4311.916428 3576.599246
N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine 7359.396496 6737.436619 7144.054792 5461.646395 7092.98402 7271.002627 6400.704333 6335.610574 4475.093406 5866.978367 4590.87774 3985.335685 676.8235943 752.5852258 1906.265827 657.7931483 807.0423924 579.2241106 356.9958676 467.1916351 205.6345108 419.6096641 679.244126 480.3022121
N(4)-Acetylsulfamethazine 2953.006038 834.9089337 549.9672177 1326.665773 1066.79669 1800.133895 1676.523603 891.1581601 1910.314674 938.7793277 303.353449 471.8305546 191439.4875 184974.556 184188.652 191114.8438 182182.0656 189028.0663 88540.86391 86496.61981 104776.6917 99014.50606 102040.6942 87121.67918
N(1),N(8)-bis(sinapoyl)-spermidine 936.2394701 911.4221469 414.7199463 1663.723835 1705.978757 1487.373337 371.4482039 1130.041103 1416.971395 989.7170797 1166.188564 850.3052378 2907.141171 7150.289618 8849.300975 7522.770409 6699.536013 13582.63556 33337.0348 34711.33505 35777.28387 34264.53446 34026.12991 36703.88797
N(1),N(12)-diacetylsperminium(2+) 923.4181284 1427.517201 1292.542853 1215.644729 737.4085466 890.501431 3043.053927 3089.862672 4032.636338 3225.832276 3144.816681 2328.825088 3208.519208 3329.54828 3615.156377 3424.395654 5226.622459 2711.47036 3191.870267 3807.751151 3620.227451 4008.925937 5229.694032 4983.081129
N'-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide 10266.12395 12136.53601 8362.721191 4565.67272 1432.401051 7952.945642 9279.697839 2548.726953 13777.44045 7976.973863 10792.06506 3892.232578 216573.6972 194863.1719 213931.909 219411.9897 210466.9091 199462.943 261640.6018 260717.0489 277386.8393 267912.1556 254172.7377 253330.4993
Myricetin-3-O-(6''-malony)glucoside 2901.030827 8219.582775 2169.739269 17724.61372 9828.742015 5562.745314 69141.6162 93555.07687 139980.7725 101955.1986 83575.37494 80516.4318 97537.97703 170722.8413 172522.42 113523.6226 274294.0897 112024.8225 1121788.644 1091904.069 1116640.668 1128831.989 991963.484 982211.2912
Myricetin 3-glucoside 634256.7401 656627.0849 667838.2422 709351.8118 662681.5454 673638.5132 626470.3882 626334.3209 578949.6216 624718.5614 703005.0286 658338.2996 9843.83398 10172.83607 8317.869599 3413.143485 5573.819222 8178.029377 8087.194749 2291.531395 6268.582621 5003.321455 2825.019499 6304.362343
Myricetin 3-O-beta-D-galactoside 6''-O-gallate 32613.95029 30577.44828 29318.18136 31528.18305 29362.75037 29392.90296 3555.946571 5062.667123 5968.474465 4891.636407 5350.582355 1842.592354 2868.61433 10353.11107 5544.635589 9801.84373 11688.20447 7158.141665 2243.597266 2490.279888 2735.095455 2133.775916 3547.868248 2618.046062
Myricetin 3-(6-acetylgalactoside) 97941.40015 104090.7638 82938.47436 95540.95829 79036.13172 92264.89143 109894.6027 74967.69171 106593.9277 106349.3269 96398.83222 102241.8327 1024.860042 603.0167201 520.4063525 494.9550977 707.1696673 571.3455415 3733.864285 2960.17873 1670.51259 1364.211135 1588.656602 2097.480593
Myricetin 3,3'-digalactoside 2383.148038 2575.889894 3013.912085 3201.016742 2456.704173 2485.393305 3781.791494 3391.535365 4074.378258 5487.164749 3638.250303 5664.915032 6.27629625 46.71208745 67.34597009 130.5674079 22.22420399 7.18360618 237.5724889 283.3579598 180.3656919 271.1806959 137.7228777 379.7669308
Mycocyclosin 5060.959318 5723.977763 4520.640196 5022.594793 5327.523792 1359.984431 4133.385657 5186.107254 4602.120555 4477.293765 651.543312 4384.042609 3903.948777 4892.612793 3872.315069 4441.242364 5307.844757 3323.204842 429.7765056 1281.372962 616.8589435 1264.194628 1017.395484 1391.499821
Mosapride 31579.32988 27586.55083 28537.67349 30445.49972 27835.84679 16430.66606 15025.20176 34449.5697 14348.39173 24983.05883 14542.34007 27288.4797 12664.89254 39958.4284 92414.38503 17561.19211 40218.97146 22278.17095 43150.45886 39301.93469 39681.07802 42053.90736 39812.73407 14868.09879
Morphine(1+) 1239.857793 946.6093667 1411.62737 1781.861093 1037.050331 1301.132144 893.7304712 1320.62292 681.1030242 1236.347314 1416.360214 1187.456621 549.9313211 1429.70061 1795.396755 1285.765106 1782.638252 2013.338844 638.5413029 1154.528033 954.39842 827.8637134 899.9931805 744.5211259
Moracetin 25099.46614 23848.44627 28422.13551 29939.93121 28392.06597 26516.53723 46270.4419 52261.21041 46883.80769 42394.33472 55284.62113 45309.11748 96519.55449 111094.8663 84280.05923 92592.18395 82429.04328 97129.56791 63169.7564 59914.41397 69586.50995 78382.53865 73326.84967 71091.57813
Montelukast sulfoxide 228328.278 202751.7215 897.8187084 221940.9956 211425.5221 218274.6772 176659.378 179116.4835 155772.1161 166287.5627 188629.2609 181727.963 24549.5761 303.9231081 12267.55449 19767.26136 11651.89772 17354.61374 13717.36707 9181.578592 7953.998082 11812.85387 9250.667716 11583.43968
Mono(methylsulfanyl)gliotoxin 12601.40088 12732.38515 11608.35457 11450.70673 13157.25964 11655.65847 10968.13727 11677.10079 10703.06776 9188.184915 11401.54869 13644.60408 1063.903048 1161.565361 871.6290569 756.4713351 858.3553965 874.0964224 865.3729145 51.15116891 826.9667679 605.7229629 801.7744169 683.364359
Mollicellin J 48580.07038 35508.90887 40314.63028 42524.26209 36917.79573 36564.9223 23694.74642 24329.83724 35738.02541 61740.50077 12735.46511 12159.81159 8749.238706 14660.80652 15275.14389 14322.66342 14541.64338 13368.15563 38058.04242 30294.39726 33995.59283 32821.55486 31260.03915 32327.64446
Mollicellin I 54.76773347 3766.278627 127.6127265 228.1597839 3385.347553 4708.912504 43.8141156 35.84785587 4934.131395 3943.1969 5212.702202 3802.370964 76004.42518 76720.79641 75588.53293 74751.36957 70704.75665 71979.54126 64895.54579 63701.23641 67800.9177 62867.73403 64044.852 64482.80591
Molidustat 1544.3998 1583.621166 1083.315997 2538.910099 1519.233659 2287.668472 3443.931387 4167.513123 1925.287491 3947.985728 3688.542745 2621.619651 5359.928731 3813.280624 4511.918 5987.176065 3655.094577 4954.332518 5525.83812 6546.624453 6950.975222 11605.28959 7311.757611 6826.496279
Modafinil Acid 1265.636685 1767.435017 2003.122114 1775.452114 1851.448414 1957.795379 3040.567737 2992.898144 3168.533218 3032.176583 2640.714531 2620.698821 247.9236327 167.5844793 123.4451676 108.1957256 90.37968023 111.2433212 165.966727 88.95975606 207.8673273 146.1015913 188.1609811 173.5435338
Metsulfuron-methyl 8790.754832 7932.601626 8756.120536 8334.146687 8938.691207 8509.776688 4363.011968 6376.313704 2218.052617 6823.994302 6875.542322 5393.069193 12003.44952 13660.463 11785.80342 12182.83732 12501.43155 11642.83259 17504.40521 15979.90952 18602.09603 16076.41379 16366.43618 16254.67363
Metronidazole benzoate 848.8360763 1798.787867 1164.871107 1670.144409 1588.978508 1220.383856 1739.22377 1888.65908 1015.732264 1842.346535 1402.351505 1045.560718 204.9166999 91.81514922 205.8895382 147.3696349 237.805769 13.64107712 190.7877747 252.3836577 200.9089834 220.0810312 157.8177193 193.5947511
Methyl(Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate 15.30362008 2.934925645 18.54984138 12.47632944 11.03095977 3.216923551 4.414893273 17.69944351 9.976281548 2.320987096 6.506131133 2.735275966 41.57307543 59.78891867 50.25265824 57.54137595 49.40677397 65.46365208 4.325022942 5.131125761 4.739306184 3.728547339 5.919740303 5.066252293
Methyl alpha-linolenyl fluorophosphonate 560.4777353 732.0903762 1003.117176 558.7278114 530.3030768 1258.528681 317.3528663 635.5061842 227.3737673 872.0236723 370.0190547 1077.661209 2300.594698 2728.584668 3233.477707 2256.926098 1695.11698 2044.857037 13438.99783 11160.04307 13268.1384 15663.0351 13828.53372 11105.6081
Methyl 6-(8-methyl-10-methylidene-6,7-dihydro-[1,3]dioxolo[4,5-g][3]benzazepin-8-ium-9-yl)-1,3-benzodioxole-5-carboxylate 1630975.878 1556676.638 1586147.875 1601208.377 1528598.316 1545093.604 1340827.811 1323163.168 1289696.931 1269973.851 1280502.003 1251894.435 131694.6762 125924.6911 103477.4186 101799.8456 83132.09846 117718.1849 86620.41032 94086.12042 86797.68075 97773.44218 95503.09904 102557.4355
Methyl 4-O-alpha-L-rhamnopyranosyl-alpha-L-rhamnopyranoside 1111.481026 434.952797 2292.224057 1112.460537 622.4538723 790.745802 3218.685317 2579.532642 3377.373412 2707.268963 3354.512743 2600.758412 41561.16795 42877.99822 44878.36116 46694.48861 43833.29861 45507.81712 34839.83629 37716.95368 36208.36937 41082.12902 46616.2473 40818.09588
Methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate 3058.748743 3182.682811 2220.287621 2609.626369 2587.539315 3120.623493 3167.568616 3653.31729 6802.540964 4202.414489 3705.536767 3653.388205 4702.115924 6696.508288 6544.789027 9082.218593 8940.504341 4343.363056 4385.802901 4291.417554 5380.695422 8951.525251 6488.804723 7823.624256
Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside 11907.09177 10777.2733 10425.47447 10456.34825 10285.90926 9584.434079 2234.61094 517.3809771 1796.096176 724.672031 1847.15901 1345.149553 54.52261055 295.1406497 269.4796705 191.0236726 234.9682062 59.99522163 194.576392 146.744482 49.14347134 335.0256814 172.1544806 110.8024674
Methyl 15-[4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate 805.7445451 2860.139358 11525.91459 1791.579023 800.3544684 2783.556192 1271.500742 754.6290615 2354.087171 1664.18417 2868.848337 1640.875223 27042.79094 26161.22479 27078.80914 26367.54978 27771.89079 24049.78421 70778.91661 70627.61726 67144.53774 64072.67906 77976.58114 63411.47723
Methyl (1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-4'-((1S)-1-(((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxy)ethyl)-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate 21813.26457 47802.56079 55632.4902 35054.0281 59899.15259 48167.28615 12240.01489 13516.32917 13680.88289 22936.66633 20615.75503 12647.68905 135079.6928 119921.0318 110589.8667 121077.6192 119039.7795 126020.854 55502.74733 51971.50758 56388.58057 51744.7085 57583.78753 57252.13416
Methyl (1,2,3,6,7,8-hexahydroxy-10-oxo-9,10-dihydroanthracen-9-yl)acetate 2337.284507 4775.588493 2226.550548 6295.135189 3162.959079 3652.105786 6354.931712 8562.692385 3305.053926 3600.456595 6382.669579 5343.597308 896.7849025 1884.183275 753.6808056 562.6928172 973.906242 796.5429531 490.8367543 343.130749 115.6416379 129.9294834 259.4125392 479.3099049
Methionylprolylarginine 5.591452569 2.551241413 1.711460584 9.33328989 5.695332459 8.581156641 2.87014533 0.924822129 2.848854785 2.439610884 6.740205496 7.328865509 2.083504226 8.638771681 1.881522087 0.722847021 4.788844013 5.006782402 4.337084581 6.133509068 3.061485463 0.584654393 0.574026217 3.242196
Methionylmethionylarginine 67.56087071 158.6045147 86.41352887 88.97444773 52.23699511 203.0687114 232.0746649 197.0015353 225.3084508 229.7499585 232.1263122 225.7740372 2254.975686 1943.449733 2216.282269 2442.327544 2287.231819 2396.679061 3277.934559 3080.724577 4845.136674 3394.946062 4271.612017 3583.249614
Methacrolein 1263.486416 1491.014122 1857.534279 1821.053431 1500.818263 2266.440534 4885.348852 5525.350869 3465.367161 6810.277974 5258.086826 3962.705049 2083.524513 2150.338694 1860.5632 1858.808566 1767.966978 2106.606574 1463.002917 1066.320226 884.1460854 1809.677307 1461.371814 1527.42572
Metamitron 8484.425462 8469.49068 9396.888523 8765.370222 7729.964026 7658.459889 12135.0525 13234.86122 13867.06411 13004.07572 12817.06872 14182.75278 18737.42262 18985.66206 18168.028 20762.66869 19042.92929 19126.13325 15698.56526 14234.59373 15935.06978 16659.41289 15766.494 16361.55414
Met-TyrMe-OH 151769.1851 123168.2974 154235.6244 12272.57662 1980.504232 153843.6483 67603.63618 73936.19668 62638.47086 73896.09384 77611.77184 74350.94722 2042.292067 423.9210475 21978.08108 17328.29182 15157.45637 1637.434788 3304.564476 759.5695513 10781.71455 1717.905251 10218.85321 1072.833874
Met-Trp-Met 9504.449216 6191.238178 11963.56231 10405.19324 9922.375224 8201.727576 10130.73808 21868.11452 17672.85807 24126.33216 26319.25725 26287.97585 36509.64654 59101.72564 46781.44834 55377.02741 46287.78102 28480.05935 18184.05699 11715.80285 16577.5534 12571.80293 13697.28611 14776.60117
Met-Thr-Met 27366.09331 25647.09366 25806.87271 23867.25104 29774.29632 22999.33758 20918.81773 16647.73803 24272.46975 22744.55787 5853.561013 19217.82929 686.9993217 200.8165113 302.0046788 1277.535664 391.2725599 103.9841862 190.8890906 286.935466 264.230474 327.2213148 223.8436851 254.0424196
Met-Pro-Tyr 267.6973974 202.6589501 27.48642793 120.0893941 240.4451551 13.41592752 116.162807 352.5833451 654.4142913 389.1426245 307.0953678 264.1363552 2464.276789 2357.926268 2397.772798 3141.446756 1918.63196 2322.920242 3361.133137 3391.831441 2577.419312 3444.54355 3654.843605 3938.812428
Met-Phe4Cl-OH 13957.11939 13525.82866 13191.83655 11933.31762 12920.8964 9967.006396 5523.376145 6600.421808 6221.786513 5361.746528 2451.692116 2638.557222 434.1164258 581.0845117 36.42663656 149.9862661 27.04236732 18.08552994 27.77215814 72.70658811 162.4724645 10.08946775 92.41772066 56.16836328
Met-Nap-OH 185859.3601 220297.7182 209604.6942 226207.8187 214953.985 210483.5983 229133.9257 218812.8121 201069.0424 206942.4044 191003.3002 193924.487 6321.111695 568.7668829 9311.344281 1259.731856 4112.13143 1776.0047 1244.92643 3719.302779 1170.207415 3348.546513 2908.306337 986.5782235
Met-Met 3728.902871 3628.494696 1143.714196 3135.651846 2490.378796 2851.44012 2947.769277 2269.128642 1302.812738 3025.460145 3090.03139 2787.065593 2047.948711 27575.29492 36589.69631 26106.1142 23310.24832 34640.26275 172832.8045 148494.075 179700.712 162755.9631 144309.9114 136646.8047
Met-HoPhe-OH 21992.72666 23264.17253 22284.504 28694.9545 25689.22837 22351.67839 40437.18644 40132.81582 47301.57517 38743.80501 38337.44394 8240.088363 2392.845939 1645.802259 1562.065477 426.6756366 891.1368571 3677.117215 437.6248552 376.8598009 137.8176215 166.2052854 401.9678732 341.4741484
Met-His-Trp 122.941982 734.0650537 710.946117 76.8377525 561.4602033 376.0864001 136.6748189 184.790776 45.53484968 144.3051128 278.2588878 86.39975868 2213.835687 893.6395085 1920.562874 1013.087829 1463.506259 1880.184258 7645.628034 10196.75655 9158.979764 8549.12559 9029.5011 9476.11209
Met-Glu-Gln 347.1011212 228.6583334 286.0414969 469.6279938 223.8693124 181.0749227 527.6897021 334.0775127 24.94445304 435.6466068 323.397019 336.8298261 34.16872651 490.7609172 16.14893254 184.0676432 511.5710994 173.5723226 1629.188067 3144.692298 2822.749903 2150.883566 3229.333982 3985.475525
Met-Cys-Asp-Phe-Thr 495.0787968 784.7063175 2886.805251 165.3018733 762.029551 1673.241912 2190.950972 2627.844446 4628.415131 3253.006171 2775.11099 2415.11684 3682.449007 14787.19476 17549.73398 18711.62897 15061.07856 14731.01159 133564.2236 126051.5285 119387.8493 135097.0962 109372.2444 135286.6517
Met-Cys 89880.0101 83874.12222 81569.60431 82066.74841 77890.32115 77195.76486 56304.43381 56633.61957 57766.73768 57517.29999 56055.41075 40125.50863 19010.7267 18983.12795 7970.699431 17636.14033 15160.01621 11933.06933 2539.779776 1289.450644 864.6299978 2590.970378 2084.032712 1442.195757
Met-Asn-Ser 243.826606 285.6557846 892.56249 516.1803654 184.6167506 595.2647405 535.9920828 290.978015 435.1791598 407.6541473 568.8167525 426.447191 20286.42317 17780.60096 18509.04808 19432.75518 17000.25387 18311.23893 19089.27213 18330.93012 20189.39022 18582.33043 18602.87425 18027.50079
Met-Abu-OH 531452.6765 544551.4077 570910.6907 585286.8416 151.4196548 560744.6007 183.3068581 825904.6233 821483.9412 128.8309176 1031880.652 222.6708651 7839767.946 7653582.147 7804681.552 9123570.426 7652944.196 8863692.541 16092277.38 15324122.77 16740017.05 14973816.3 15199333.58 14273051.12
Melitidin 1446.994213 2038.435409 2141.820466 2146.976887 2137.786871 2145.174926 1375.164564 1632.816923 1480.083788 2079.406345 1726.572214 1666.24878 7974.15021 19610.3787 13593.27519 19563.1606 15401.6831 12999.91059 6915.874734 6447.367781 9878.609132 9444.241085 8772.939695 9046.875399
Melatonin glucuronide 48285.01653 47793.15303 48350.72595 51594.30518 50577.86886 48557.921 24168.10167 25429.19799 23511.88825 23002.19693 27930.26182 25617.27146 18905.28874 19087.99645 18910.7946 20212.1383 19560.73925 18003.52336 3541.938596 3263.715306 3680.279941 4032.72318 3876.613412 4279.085219
Meisoindigo 81217.11839 81269.4197 78252.70684 276.475022 75391.32546 78424.60367 86541.3632 87769.81539 85632.92169 86976.51067 91376.59184 86782.79068 4918.083445 6557.588247 66049.13001 2891.351347 5908.036595 5242.932964 10167.59272 6482.370016 8324.264196 9551.028689 9013.45763 10244.65391
Medicarpin 3-O-glucoside-6'-malonate 44779.91376 40878.07803 45457.10608 45012.55226 5638.103073 40192.16096 44136.52578 43017.82459 45800.41617 47744.48971 48875.90666 40817.28802 1286.286224 31.73033239 82.62582126 34.64946952 62.826059 966.9633854 199.2665372 75.89874404 168.0434196 846.1347505 47.72250763 28.93808867
Mannosylglycerate 1660.087639 1214.157757 2249.768636 970.2417253 2860.661429 1232.470576 57.73129195 329.2106773 50.01210031 277.7843651 730.7830148 790.5651449 3142.831809 3916.016054 2862.52269 2892.862163 2791.969001 2836.23425 2593.261257 3441.150988 3469.494031 3079.505634 3815.509742 2698.502801
Mangiferin 199738.1137 226351.4055 221412.4166 139259.7297 200820.1163 215507.8718 97063.5836 146145.7054 94555.71763 86352.26104 100827.5012 81236.39698 268122.2784 262144.8422 256067.5662 280252.4163 271052.3085 273617.2366 71851.88385 74068.71983 74278.83497 76415.11956 73676.37875 74830.8856
Man1F 636.4445929 305.6805838 448.8298712 814.2650095 408.4787567 480.1390784 113846.5923 126.1591977 98.9077306 189.3687505 206.4133749 492.0164365 1605.43646 2396.713479 3638.168922 2492.83311 2254.453364 4076.006399 315.8061767 258.3669287 272.671259 247.4154773 640.2313702 124.2664781
Malyngamide T 162.8913593 136.9090042 142.5452536 40.33686374 103.9795613 247.7793887 76.83177458 113.3270533 188.6505225 83.96665003 163.2679366 181.5847998 575.1440123 823.4718514 880.7391051 626.7298761 522.317816 570.3399047 2025.492568 1992.890855 1719.667007 1535.813432 1324.803191 1868.899082
Malyngamide I 4608.161045 4313.448514 3813.025053 3931.682393 4682.46715 4807.337127 5080.726075 5524.741244 6375.711821 5797.410716 5522.83176 5882.395638 7369.731143 7282.659851 7174.760726 9772.153461 7269.010326 6951.574627 11497.88012 19815.07927 12626.79105 11889.14131 12034.22442 12553.94234
Malvidin-3,5-diglucoside 13338.5278 10649.52101 12081.78775 11308.55701 9066.302164 13842.52897 5627.896891 6229.280193 4880.298584 5222.792477 6130.847268 6563.475661 3719.380373 3645.067647 1820.300204 2738.773283 2440.315186 3208.794424 2058.70394 1707.790662 1683.082923 1757.738576 1842.436663 1667.98383
Malonylapiin 1082.678398 837.5798513 1078.690225 1462.027395 1048.640043 1759.417094 1237.696028 838.9536706 209.124023 591.3726403 122.3987519 436.6987409 41515.90496 29497.62592 32387.14576 34413.24707 29945.66798 33361.95978 17467.86073 21978.40987 19259.8871 18560.31838 18904.22589 17905.15104
Mallotophilippen C 1109.788135 1598.134031 2641.426068 2344.711733 2040.632813 1800.409222 2405.061265 2141.731672 1018.893996 2319.316542 3264.951136 2647.014559 197.1984412 226.735947 56.1606254 23.15392776 319.7191576 54.43639075 318.8798732 303.586258 146.43587 327.9901782 171.3137812 337.8243646
Magnesium salicylate anhydrous 48580.87441 43344.22683 41035.29253 38977.5464 43789.51594 43754.20225 31455.50691 29614.24347 32018.42233 29290.23909 25004.15335 28495.02736 33.46072119 3102.363934 2095.353924 3187.626948 2221.238582 2140.925552 1986.542652 2714.081815 30.11464398 1949.214499 1335.45134 1656.566999
MK-2206 36892.21226 37476.13478 39194.41 39264.39729 38313.40981 36161.83223 108230.925 109831.774 137145.2105 97545.21317 97343.0353 87656.88312 7073.474452 400.4998406 26.70738506 8052.033052 8072.32157 7222.319609 258.7153249 2189.255171 2667.321535 533.0300963 1807.050215 45.14884414
LysoPE(0:0/18:2(9Z,12Z)) 174.7447326 147.849687 174.6668864 258.0451509 241.1911818 127.7542484 215.9439667 294.1168412 217.780409 301.7035645 175.9819159 421.0017257 3315.430127 3789.498247 2813.093407 3470.166539 3170.975957 2982.296349 17598.29464 15392.63535 15751.34166 19229.93141 15178.51532 17574.86116
LysoPA(i-20:0/0:0) 2621.844753 2633.414213 2938.804171 2838.738372 1197.880184 2753.660591 2761.702262 2924.846942 2869.51642 2950.009961 2670.240138 2654.250753 10720.66119 11050.17701 10040.20379 11007.73329 10263.6822 10517.05476 9324.892208 9635.360105 10523.70005 10148.54346 11263.20989 10313.05467
LysoPA(i-13:0/0:0) 3989.906092 3502.993012 3161.811245 2560.961596 1885.151306 2126.317282 2066.089987 2252.929069 2497.726109 2085.800317 3195.814827 2801.715104 24551.84079 24748.09857 24085.59566 31811.004 29124.94757 23445.97683 67768.57454 64043.11764 80702.54486 69602.32082 67809.30437 79380.5661
LysoPA(19:0/0:0) 921.5828896 1283.868504 783.37355 120.4898629 262.7567588 171.9818526 27.59289147 274.5756507 116.0120805 279.2105004 138.4001221 65.39080403 4470.418302 6514.602018 6674.25277 6293.948141 7693.05635 5384.55737 9744.400145 9642.371954 9389.349894 9233.905878 9451.546952 9910.022263
Lysidicichin 38020.74114 30859.64987 14345.1005 20513.17476 2082.416129 15157.92323 53503.51326 50251.9046 29351.52998 43864.23076 40016.43029 50747.83811 29129.13223 29584.95154 65754.63474 126481.0791 101014.4867 52622.91827 5481.841683 5968.511136 4503.342644 4676.395953 4732.925202 4748.968704
Lys-Tyr-Val-Lys 99.88783355 267.4998458 51.96177944 106.6631619 37.97213857 373.563675 357.887432 240.6341384 359.6000652 279.7225181 133.7380124 178.9464606 1949.172984 1296.567951 1165.963896 1132.058516 553.7870836 2900.120259 2042.47932 2938.539037 2476.324248 1789.45265 2424.526138 707.7738673
Lys-Thr-Thr-Ser-Gly 242.3086151 251.8316683 157.0687061 104.3317508 278.7155403 87.15463958 96.50699951 111.207774 52.82931323 14.37867419 105.7814714 53.99126338 277.2355065 445.2754204 381.4855782 653.1236157 459.6398663 849.1219559 3399.954874 3827.455469 4882.457775 3841.723097 3959.08222 3831.020472
Lys-Thr-Gln-Lys 3725323.573 3727722.566 3589349.871 3666220.056 3458102.029 3597234.555 3969539.757 4025887.26 3927870.726 3989499.405 4191325.404 3980613.721 2965576.646 6798.253329 16697.72219 3158263.815 2943517.701 5599.765178 383339.0696 431986.9238 573379.6899 445724.5844 450248.5704 514351.7082
Lys-Phe-Leu-Glu 9284.686378 9842.496246 9938.550525 9510.442968 9628.867232 9228.517159 10684.49761 11342.63151 10710.27817 11225.06048 11123.7281 11269.6369 42615.91955 46642.01445 43934.88361 46352.85176 46817.60467 45054.71747 37076.59065 39509.40228 39355.28126 41870.62943 38526.18589 40810.88797
Lys-Leu-Glu-Ala-Thr 275.2006591 420.6840734 202.0127509 168.9883989 1063.996785 1513.321999 368.7680198 573.6050522 689.9358165 1977.649425 195.1694068 2119.235489 40831.78035 41850.4882 41860.88605 46100.75658 46907.60128 42943.44692 64925.03399 66552.02365 69830.29696 67411.44049 67973.22976 70114.09654
Lys-Leu-Arg-Asp 4784.885365 5141.662235 4550.91463 4863.595248 4710.567399 4835.397507 3521.052833 4019.112084 3543.750701 3721.62669 3749.582155 3432.318507 12544.69925 13411.58506 12667.18016 13366.06131 13583.27281 12508.57622 6784.412326 7022.142367 7188.022797 7622.574616 6877.745864 8060.639229
Lys-Ile-Asn-Glu 9010.346808 8574.737122 9302.33387 8236.671625 8223.088818 9467.540562 25435.35909 24506.31965 23494.63413 25123.65102 26057.86424 23909.43923 3925.608282 2550.856315 3807.38989 2421.474833 3170.010489 3325.261817 1579.490968 1735.546892 1290.880911 1850.470902 2163.012369 1660.892752
Lys-Glu-Arg-Phe-Ala 1298.954212 1143.764404 1117.167838 1581.543724 1001.299081 1551.61641 1288.20277 1409.995736 1050.539233 1333.969246 2451.291453 1332.014286 8406.835297 9249.893928 9553.35087 8895.097243 8502.713649 8267.959503 87593.69376 66675.89407 76546.75596 70711.30008 69444.99426 74070.20607
Lys-Asp-Thr-Lys 611.1330834 496.3759203 369.0869917 628.192471 460.1520255 535.5493475 369.5237329 405.3005444 306.5843065 687.8754635 460.5433089 311.0975424 4714.161034 5943.958742 4907.064075 4442.949364 6318.430916 4035.143312 13104.34713 15264.94137 12733.22546 11434.51742 11931.93228 19624.18322
Lys-Arg-Leu-Glu 6103.556689 5653.312257 5360.467705 5205.969338 4658.234285 4932.658639 12609.64301 12299.82786 11673.72387 11098.65588 13190.97939 12835.63136 14242.61673 14550.21689 14981.1712 15055.26807 13816.76963 13184.16149 16649.85866 19578.67895 18767.14226 18685.73606 18008.12901 18571.74523
Lys-Abu-OH 34259.41044 33951.78048 37371.9702 34553.88755 33146.85956 32163.78933 12414.28523 12718.18479 10936.79136 11835.50937 12212.68686 10675.12253 9126.789969 7721.649967 9674.481115 8781.202857 8512.139406 7064.031239 3246.872161 2796.212406 2802.820294 2950.828882 3208.171406 52.59727052
Lyoniresinol 9'-sulfate 18251.09604 23285.59734 26174.49357 26259.01368 23953.964 23319.31351 62749.06578 58055.02229 55097.51211 51228.2631 58755.17607 64607.93817 2687.226748 43.61422307 3490.45096 3222.21106 2416.443244 2955.349823 28.90095018 1053.179046 798.285538 898.4746954 1063.273395 873.1717315
Luteoskyrin 82852.97203 83401.08247 43938.36728 79466.26798 74272.04685 74130.01732 60601.82861 45500.58945 67722.41581 42563.48783 55190.05214 65698.56057 10793.15233 18117.1763 12836.4213 12466.28803 14074.32901 19791.89312 3789.591764 3901.626782 4605.040073 3640.621989 4495.842361 3259.868835
Luteolin-7-O-glucuronide-(2→1)-(2''-Feruloyl)glucuronide 66638.80714 62786.10411 51571.97554 60555.49993 61746.64813 64128.68231 127900.8837 139939.6836 97720.98912 104243.9193 115858.3166 133517.7847 7083.463183 7441.561356 4294.805143 7825.960318 4229.319694 6851.949147 5455.961236 2353.604469 5077.706692 1956.091555 2314.655971 4148.978313
Luteolin-7-O-(6''-malonyl)glucoside-5-O-rhamnoside 7287.726264 3808.263063 3349.712634 6024.94634 5593.908647 6631.122106 8856.874571 6980.847715 4305.185446 3109.888871 5702.371854 3078.534296 23143.96734 28908.91444 22942.02144 27613.26102 21985.371 21017.2622 27031.44665 53374.22523 28725.54706 29796.45396 19566.98607 21588.44295
Luteolin-7-O-(6'''-malonyl)sophoroside-5-O-arabinoside 18109.11889 18012.24569 21198.93108 20780.41754 14287.04122 17110.93273 21038.89118 23407.34579 17185.28396 18786.62031 21384.73416 20754.79439 2045.883228 2511.597839 2422.571513 1806.930091 2461.133742 2623.325725 454.2339249 444.5914015 232.1157724 668.4082794 478.5228078 629.94977
Lorglumide 153.5257346 64.18813257 264.9507116 141.8450658 153.6216948 108.3170729 154.5994482 147.6882302 307.9495633 341.6844215 396.771929 366.3182363 4109.409422 4932.986148 5609.102981 4798.910576 3901.671928 3346.780187 2777.713233 2216.535948 2587.137174 2125.177129 2600.80293 2909.687129
Lolitrem J 287513.1009 297627.492 320240.8151 319402.5582 282983.6621 316759.7072 152545.917 157080.7579 158706.7056 167764.4539 171584.8344 179361.3684 138743.4367 126719.8102 136382.9089 137246.1963 127296.992 120645.4244 141631.2498 126127.7707 140440.4161 134680.2519 133225.1331 138034.4626
Liriodenine 42000.81698 42901.86616 44439.49782 38107.56122 47122.67008 34005.99432 34865.44792 34639.77622 30184.31058 32321.08545 33197.571 36684.12923 7262.614027 9544.996704 874.5008754 1505.874356 640.6602695 1771.12192 1402.176621 1210.186014 6396.058536 5087.658776 5045.899417 688.0078559
Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] 60919.65407 69370.87998 60562.86784 58787.58248 64344.18445 69026.17457 46514.69882 45487.17638 45942.07929 47997.50756 45850.45494 45985.30412 1714.022637 2242.353116 4689.285204 128.8391311 2730.230288 4303.297779 2707.704331 2458.888073 2744.063813 2134.325017 70.61385516 73.94782893
Linagliptin Metabolite CD1790 283.2833526 267.5897177 89.2223885 124.83045 169.9246318 191.5337916 317.9470427 297.84241 195.1902028 189.9456809 425.0411941 286.1044034 1118.421977 1021.880941 937.3885308 1243.519125 739.2912181 1291.628275 6557.964195 8667.138876 6952.329994 12582.59984 7290.97209 7624.907521
Limocitrol 3-glucoside 3700.389401 3150.608591 3650.009337 3001.76354 3641.583079 3466.199664 3048.297535 5303.991152 4929.516442 3736.172056 3200.40996 3705.877208 1002.981635 826.8818968 921.0275286 887.171649 432.7995318 1043.348221 1851.893773 1922.339892 2207.087301 1669.793082 1931.204935 2061.265746
Licorice glycoside D1 34246.56352 40379.1155 33028.733 39857.974 36927.39484 35316.57318 4998.523412 9567.62972 6649.97097 3956.11366 884.8111437 1128.437241 31577.61093 42033.79796 18142.76894 33854.88201 20367.29876 22968.09007 4945.565345 5990.50694 6993.208925 3016.611403 6129.708885 7742.049503
Licorice glycoside C1 91652.50328 85596.33383 85889.60766 83115.04128 86055.51901 86401.65827 127009.4114 129012.011 125837.0906 116007.2183 138837.3275 143569.9804 13116.54156 104.4717988 8843.171503 1058.878222 8373.020944 8756.926579 6302.608373 6040.38025 6464.996768 7074.766187 6341.068996 4804.640888
Licorice glycoside A 6655.037611 11601.86182 626.6791939 702.5015871 827.3505071 10190.68816 19363.73316 17827.83099 14198.54675 17968.71393 19276.45348 16601.44609 154966.6157 160915.1881 164511.2404 27731.22439 882.4937738 173536.587 22270.45685 3566.749509 20194.18723 22167.17582 21652.06117 22774.01273
Licofelone 13357.69503 11806.16798 13180.73239 13721.95505 11489.70648 13743.97275 9598.148572 8888.551208 5504.121788 7689.39339 6568.504212 6286.874884 7756.437381 9008.584707 8402.997069 7910.587618 7889.299934 7969.523479 19549.09164 19270.92033 21116.43308 18975.0357 18872.50683 20476.52553
Leu-TyrMe-OH 23618.64807 13765.06701 23235.16401 23448.62413 6479.856644 22610.98853 59988.11903 58863.06581 57462.44398 53884.10674 53431.75139 55705.39428 246830.1934 205565.8444 234023.855 221510.3994 216912.2513 203506.2632 10846.72193 13301.93334 14341.22434 15744.6491 15002.35708 15362.93003
Leu-Ser-Phe-Met-Gln 358.0534225 147.3799492 220.131291 144.5767331 968.7586644 1144.732231 1467.707769 1543.245039 760.0122865 2203.005479 1987.895547 1187.378723 15290.88966 9891.411228 11339.82904 16282.43408 13301.13541 18822.70896 10393.99398 3265.939487 9953.245091 7516.685898 10975.67844 9129.421375
Leu-Ser-His-Asp 2331.897569 309.3921223 530.7779863 746.9775998 275.0341209 1077.346296 474.5280677 668.7547253 321.88383 87.57249079 81.9131917 346.6966666 482.6473006 568.9499547 51.26683375 426.7348752 234.582321 405.6410394 4175.786345 8198.666564 6621.784404 8519.275585 5972.1512 5191.769498
Leu-Ser-Glu-Lys-Tyr 1425.414988 1253.082358 1242.733782 1366.909009 902.810827 1178.66039 2415.833407 2799.373689 1826.487814 2475.517728 2406.944304 2531.922532 531.3277716 570.5091119 1023.139326 215.1739904 279.6753083 830.4869266 163.4987044 269.3983016 83.59949527 229.2468455 157.9271077 323.0780366
Leu-Phe4Cl-OH 231027.4418 192226.1948 342093.8472 190429.8211 188919.0531 185340.2312 242976.625 270772.0355 245747.8231 231747.8261 230186.9441 229614.2226 118404.5039 180943.5037 201223.8727 106048.7557 211122.0065 198732.8819 93997.51349 67128.62914 76148.66501 75945.04608 78421.13734 77741.01588
Leu-Met-OH 19937.11021 18910.01848 20323.42538 18765.11017 19323.71736 16957.57621 13482.84881 17766.22746 17110.69584 18486.6649 15339.8562 19003.85912 328131.6756 405395.7698 323454.2962 333684.6959 320332.0492 316669.0187 74357.18314 72881.97321 77180.63607 74066.2313 70991.05154 75429.93541
Leu-Met-Lys-Asp-Gly 398.3378444 2935.751375 2868.730315 389.196982 776.5815583 158.5610901 1098.978178 403.4547324 392.2558818 206.8366558 676.9424798 248423.9892 146.3644132 362.2518995 609.2425484 717.1831197 1377.64594 140.8758675 31445.33039 32077.69754 31151.52658 31223.84613 35606.3434 35365.36011
Leu-Leu-Lys-Gln-Gly 27.78663912 142.4419948 47.60345248 14.15087071 40.72236667 77.90346522 78.2592349 157.8732854 137.6491298 183.7644773 169.5208141 112.2803749 519.5085082 790.1061182 604.0231904 736.3881778 631.5173651 658.4462095 5527.247081 4633.479786 5611.120753 5686.16562 5403.680773 5302.057179
Leu-Ile-His-Arg 410.381891 2885.667446 3128.774533 3012.93284 1487.612628 2688.738244 2652.453415 3640.032016 3550.828285 3422.821346 3160.197198 3055.120411 6587.22852 5033.316852 5576.839603 6272.640348 6125.981697 6326.727744 351.8315575 702.5850661 318.964767 745.3276876 678.5188971 1344.288426
Leu-Asp-Gln-Gln-Val 439.1285364 506.5756454 465.3957209 219.721828 157.565728 381.9501703 391.715206 316.3742999 179.0098014 398.5515694 87.64011016 328.3389693 4299.200991 5203.221305 3829.611753 4175.932783 3132.268234 3624.735915 10235.80385 9012.40629 10125.4479 9704.59962 9471.555443 10591.49454
Leu-Abu-OH 102902.9856 108387.5193 107970.865 112590.8792 99096.30217 106674.7352 73374.02167 74058.54215 66813.22144 75256.46951 78956.34838 75657.56364 15347.82208 12148.29134 16475.35343 15696.12467 45323.61832 20971.59152 6166.279089 4540.932809 6781.19292 6968.81441 7205.089827 6162.975651
Ledipasvir 1019.654736 1613.607981 313.5174513 389.951773 405.2491767 1001.74982 440.6206199 726.7141227 577.2787957 783.0101939 149336.8613 403.7639867 2457.406008 3463.070348 2638.817607 3438.57009 4893.40454 3074.490515 11740.52248 8180.376403 14139.49198 12968.12933 15543.23555 16464.36116
Laricitrin 3-glucoside 195762.9679 199060.2918 206156.0849 197099.4917 188084.585 188186.7577 196489.0758 199011.4404 196097.1934 194672.9328 220505.0969 192224.1393 3619489.889 3527799.251 3626543.147 3737743.968 3517889.066 3437214.486 1080000.122 1122821.037 1102542.841 1131715.951 1080747.801 1169694.877
Laricitrin 3-galactoside 2366.363249 2075.557446 871.2175226 1519.821825 450.8331419 1998.794781 916.2284175 1100.854165 760.0546616 802.3961727 883.4552472 345.5795582 587.0709705 686.9951863 486.1964506 22.15792206 502.4284072 234.5579277 219.8945934 101.8995671 216.3114947 139.7846118 58.88149037 136.9179925
Lappaol F 89.10459389 347.6361161 235.2840938 83.63332149 350.1657615 359.616765 254.9346689 508.6687889 439.8235926 661.4917214 549.3749852 461.260479 8438.92589 6682.760709 6857.974613 8326.439666 6800.636612 8210.413489 1447.655978 1438.328911 3340.732796 873.7497659 793.2361682 1331.880534
Lansoprazole Sulfone 7441.893452 4736.54997 4585.109466 5306.879946 3398.149158 5960.594609 4223.434906 3870.405971 2969.159591 808.4732122 868.9356257 4292.500777 442.4462047 333.1147347 226.9341847 189.5203252 268.5879127 168.5971484 9.509971455 461.9847843 101.4173238 280.6207062 384.820318 160.1934634
Lansic acid 5030.301252 4624.666306 5347.532065 6942.669865 5220.641126 4971.401501 12059.2893 10766.84342 10820.46162 11227.64555 12367.47995 12267.61877 1230.620087 1210.47506 2096.714486 1326.553568 1764.904977 2212.78041 844.3289259 879.3582624 1316.853731 837.6830552 657.4141772 956.989469
Laminin Penta Peptide,amide 913.3177388 1064.390433 803.564408 1019.20854 757.8383791 890.4188141 309.8729779 1197.556202 810.0612516 1708.32836 1832.671685 1177.866271 3429.41871 3410.838246 3765.572234 4537.424326 4133.9521 4582.116567 13454.20433 11397.1043 13184.04337 14357.76824 13722.75682 15152.78016
Lactofen 1998.504382 1389.175234 1686.811939 1270.222708 982.0587367 1192.904152 1063.562971 577.8372105 716.985965 710.5701565 783.7955284 1044.174036 13677.6744 12125.12171 9991.673394 8131.478593 8874.99991 10299.18612 10778.9442 11716.7993 6088.114723 7999.187217 7398.385147 8389.997811
Labriformidin 2290252.37 2291727.222 2206658.533 2253916.743 2125970.057 2211505.874 2440391.461 2475032.748 2414774.197 3115.120304 2576740.719 2447199.506 1823175.574 1869277.209 1862528.24 14759.72039 1809614.187 1860179.979 253872.002 222781.5136 236232.5112 238817.596 208286.0362 226711.833
LQWAESGR/2_0 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 67604.53807 67360.45391 70221.46473 65446.75698 67275.5264 1481.938678 1248.767162 1722.710536 1934.60176 1580.698183 1339.20878
LPS(22:6/0:0) 286.4988231 342.7634121 44.463297 21.44706693 102.0791029 194.1949258 209.3203111 290.1377477 192.0335779 128.2457984 32.65266836 236.9350679 745.3756308 1367.890293 1217.636978 663.3629753 484.9079438 1203.779327 1436.546285 1935.76461 2003.981759 1687.654566 2296.124245 2513.139675
LPI(18:3/0:0) 6955.998816 7376.219703 8332.876873 6953.838527 7418.546595 6535.352625 5742.460648 6907.269883 5869.56114 6127.325323 6066.115098 6232.996246 15431.32472 17088.36745 14178.12825 17049.46374 16125.51938 15021.50793 10789.54162 10114.1691 11012.43166 10738.1082 10191.56223 11055.10167
LPI(18:2/0:0) 12698.24248 21055.5013 18399.63415 19884.5983 15990.04701 19443.04877 18567.38738 13425.83291 14493.51867 14448.2542 14501.02743 14649.94532 36965.2678 33850.18603 33564.86464 37776.36049 34529.69144 31471.80021 20060.88756 20913.68571 26067.56895 23410.43371 19859.04295 24746.40323
LPE(0:0/18:3) 12701.35995 13762.72819 14056.527 13416.35157 12683.40815 14869.82769 12765.16544 12397.27843 11794.2376 13275.71133 12796.07866 12620.97153 55060.92663 59222.89308 51651.28969 55248.1505 50884.77885 56574.76139 196385.7453 190135.059 203414.895 188299.3781 191921.6785 201390.5143
LPC(0:0/22:5) 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 893.9505064 971.610191 951.755465 816.8079626 483.3635402 890.8857148 3054.928242 3063.458269 3391.083406 3715.016004 2997.02676 3219.679199
L-threonylcarbamoyladenylate 1292.443302 1094.797939 743.3062238 1185.176739 1496.345247 1466.238994 1157.852487 1182.669924 803.3004995 1191.784569 637.7727782 541.7648486 15.29427907 156.2117584 94.05988814 30.58855611 197.1812322 28.78112922 404.7230687 178.1782745 286.9757959 319.3720644 319.0259808 467.9384795
L-Thioinosine 23.86525946 5697.130279 1202.778107 4528.019491 3867.911325 829.942475 692.6759728 1063.067406 264.7477542 794.1184208 525.0328573 913.4748046 127628.2491 126040.1699 116670.3734 125377.4387 121636.309 121838.8145 54900.14695 50049.45495 56505.27055 53669.76298 53859.50671 57421.45921
L-Phenylalaninosecologanin 2008.129312 1446.297101 2239.353335 2389.404787 2046.392106 1433.142436 5447.688967 8771.887263 954.3138927 9171.495067 5951.52509 5460.135229 8822.835837 2543.106638 2722.474323 2656.613328 457.0510441 4916.975631 3539.662183 2789.418701 1587.468193 2838.565267 3038.075982 1522.443288
L-4-hydroxyphenylglycine-L-arginyl-D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine 24604.97598 21669.86546 23761.87347 22650.33427 22866.05641 21667.3779 24651.81581 25952.71862 26961.91718 26942.26253 24694.48891 23373.05254 3660.781561 3594.900197 2924.415541 2890.152744 2514.210952 1785.99969 6115.933607 3344.458913 12835.88842 7194.364282 6558.529582 8747.474511
L-2-Aminoadipate adenylate 2262.855601 2617.969658 2624.246074 4454.441782 1587.182229 3792.519343 1689.998889 1325.937268 1016.619885 2375.892442 1179.683189 918.317422 3575.929747 4456.1048 2220.326087 4159.884278 5785.314642 4461.58335 7962.192219 4893.832842 10445.98127 9686.025899 8476.379613 10767.68585
L-2-Amino-6-oxohexanoic acid 12573.44014 13736.78923 11616.21248 11793.29171 10984.05455 12565.20379 15396.06695 15638.63553 16335.50495 15272.72062 17119.38992 15997.14819 11033.1517 6989.708796 4564.965636 5300.236335 5381.013168 4514.253751 3390.744074 4571.149725 6583.245636 3976.281526 6832.765747 4706.116471
Kuromanin 374.1319577 1734.363936 9427.587911 1086.639726 1176.885398 1442.746444 1111.239629 617.8317231 586.7980183 507.4241987 752.5545297 1154.7169 394659.0215 399294.5275 375826.639 379685.731 375376.0406 383632.6781 678660.3018 657846.7327 671654.3763 689651.9089 662286.8199 657498.2224
Kioukasin B 1488.797254 2795.020638 2904.828849 3138.593489 2193.653215 1255.948709 18007.24256 19261.93311 18122.71943 18071.31557 17872.48071 20154.56888 237.9693533 201.761711 58.12263355 286.3238959 185.2051973 65.03067977 298.4737116 413.8829625 1424.818409 374.4610198 133.8724031 2107.583759
Kinobscurinone 19811.04911 38914.8272 22357.34087 23960.96693 21702.15754 20900.3576 6281.910526 12404.48318 12866.68595 25396.1544 11991.12598 10250.87023 2416.510899 1429.996 1366.316457 824.5681257 987.8492557 1239.235283 2227.885645 3033.54905 1628.666791 2403.439069 2300.797014 2437.553522
Khellin 47947.38225 47021.38087 45685.53592 50197.42261 47623.02395 45727.42707 47511.14174 48533.27481 50161.70588 49289.02945 49489.09658 48615.13824 95025.80914 86463.27112 92188.3721 91473.53123 91922.39054 88359.61928 56814.04546 52321.78154 55464.52762 52863.49818 51518.91036 54884.72387
Kaempferol-3-O-(6''-Malonyl)glucoside-7-O-Glucoside 5720.629501 4125.162609 10779.90745 8286.499834 7520.790802 15614.64826 10725.50157 10281.24286 1015.895627 9482.679199 11021.85683 13681.64681 95199.38972 223610.5482 85884.21314 71884.99687 91695.20879 133728.6523 30978.62306 47882.97644 52599.37013 47555.68394 47772.66337 47013.50629
Kaempferol-3-O-(2''-sinapoyl)glucosyl-(1→2)-(6''-malonyl)glucoside 31110.1806 26062.87562 25825.18144 26267.94862 19813.57592 26391.79294 34941.03649 29752.66609 31026.87136 39495.4494 38454.9078 36787.88473 311.5091886 1427.334608 1030.086958 1177.697543 1381.968469 1973.6578 720.4322684 309.6554851 567.8277605 1020.639046 1552.355077 1117.686209
Kaempferol 7-sophoroside 6772.118806 8342.396621 3053.261798 5014.349837 10826.50621 4494.526538 2724.20339 732.8559022 2066.813582 2633.468437 102478.1316 350.9979474 11575.22123 9246.738829 8795.619529 9746.10169 15687.51777 2906.079807 2433.358864 4081.059522 5194.886262 7193.351171 10834.87529 3246.007135
Kaempferol 3-alpha-D-glucoside 116306.0416 128028.0867 128239.6661 133468.862 121239.2695 122044.9794 67673.91902 70810.46914 68824.85432 74337.08233 72275.89129 69232.13607 259677.7997 251252.0261 250636.807 259364.7158 242142.1623 250328.5831 93078.62511 123717.0558 90202.99326 96390.8388 93045.84397 95964.13553
Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside 24812.31998 23463.41822 23853.55163 32281.27973 21553.24892 23211.35901 24471.52376 25984.75723 21362.35073 20619.28494 20991.74037 23466.42472 653.4685535 554.2539287 660.6548232 859.3647481 2042.358565 545.6880277 712.6090105 2625.619975 1990.668073 1699.375377 2004.093722 1068.155694
Justalakonin 2346.075234 2616.960022 2753.658241 3448.054016 2335.755508 3042.242244 13801.9872 13936.09613 13874.5921 13257.25091 21982.97657 14527.43608 2680.898936 2071.703896 1896.649359 3375.189102 2465.801549 2143.848126 32.8963783 65.05983436 258.60071 75.48402921 183.1546416 217.0736271
Juniperoside II 116.6343617 123.4223926 175.5344461 21.63673927 33.04981713 102.8909785 74.85316573 12.98964232 106.0432597 18.08042345 6.641266273 151.0200715 2034.739937 2474.031178 2150.151967 2497.806087 2710.920398 2078.800401 661.0677015 775.5283901 714.4646536 835.5653641 729.8017042 704.8329773
Junceellin 222.2549385 1394.5819 620.1494227 698.1047873 432.4251355 273.5813881 3938.241689 3879.360322 590.1680012 4954.587845 4514.266518 3528.237797 9112.702099 8461.163966 8456.540007 9807.886125 8470.434905 8807.834521 5225.103872 4958.109226 5108.18993 4689.799056 5142.926811 4997.687658
Jaceidin 4'-glucuronide 7306.111792 6676.749367 7588.700324 8221.77528 5708.060589 7520.110525 2193.532638 2048.081512 1605.60775 3187.444216 1198.261101 1334.431183 1412.560641 1478.029458 2035.031774 1837.413728 2493.623517 2165.117309 292.3416035 296.1617338 337.9560026 119.3560096 216.8308207 387.9089305
Jacaglabroside B 4086.249751 4195.208506 4547.077958 3881.965663 4090.78075 4178.757799 1334.556687 1278.223778 1167.422984 1252.626123 776.9935191 1342.000359 174.7011403 113.4954168 164.1036546 139.6182149 140.6308588 74.25310333 20.14763133 185.2562368 180.5583236 187.5167652 58.63629185 198.1280916
JWH 018 N-(5-hydroxypentyl) beta-D-Glucuronide 6672.954561 6962.341422 6964.645431 7889.67444 2948.888325 7142.589185 4358.684584 4957.052902 4495.947837 4533.139476 4298.70366 4502.165727 34.08561644 37.11109136 103.9353706 34.46851059 13.27675319 8.368202105 435.7760514 1932.397463 2044.080788 12.61286084 2015.626747 467.4270854
JWH 018 6-hydroxyindole metabolite 14824.44771 13923.11683 14244.14567 14378.47554 12935.671 14827.84285 6462.254264 6437.051806 7813.121074 6435.351456 6951.533624 7123.357757 6208.931006 6730.085762 7039.944617 5702.002053 6538.534204 5341.732135 7023.264444 6846.764006 8462.429327 5699.430821 6688.396357 8058.346096
Ivosidenib 396.439873 219.5337834 551.6077673 443.8631621 1469.063959 674.3740034 2411.663164 211.0083947 986.2962638 1161.605933 1072.618173 745.9822725 3710.773216 6873.768838 3963.321605 4168.716593 3608.78637 3653.729125 7363.569748 7389.155711 8009.10595 5303.43928 9347.230244 8430.046558
Itopa 15885.32797 16116.95544 18113.80152 17227.165 15141.66412 15316.8837 29157.15712 26750.99382 31748.39715 25709.34987 30170.6092 26362.51261 69.84616384 719.2489406 575.0978694 1082.197429 573.1113394 1191.958681 73.79568899 1147.963548 1358.706333 223.8820665 170.8738096 828.8943799
Isoxaflutole 7972.110276 7788.04849 9355.05508 8420.153387 8202.655226 8983.668724 9799.89741 9934.116882 9846.354945 9901.159707 10177.021 10118.86793 14304.95298 11532.89898 12506.71929 12110.04885 10126.21143 11814.63271 14785.31418 16645.29373 16570.73379 15711.42968 16742.90698 17379.44563
Isovitexin-7-olate 245.4481993 367.1154488 837.7361312 1337.67835 112.8812164 1409.925557 1407.045508 902.5767632 2005.1896 202.5786351 1332.158467 895.0623918 40517.83522 39026.44234 42467.85541 38544.57145 36866.69249 37384.40834 49060.1894 49448.13681 33935.34442 49266.83722 48782.26378 45980.35764
Isorhamnetin 3-O-beta-D-glucopyranosyl-(1-2)-alpha-L-rhamnopyranoside 10280.71279 7531.998587 13991.15168 17672.80782 17285.43015 22700.65153 3216.379562 3306.626053 5410.091864 9158.377915 2453.931054 3635.401542 14818.63748 13364.20297 13836.81139 17841.22361 20007.1387 16002.5408 8784.480384 9227.788526 8492.443557 6168.009588 8496.007244 11891.43565
Isorhamnetin 3-(6''-malonylglucoside) 1338.477255 565.2437761 701.250462 737.9983599 1333.865243 714.8881977 726.2539645 894.0826282 425.6363544 978.9445717 907.1540611 1108.318854 9948.225071 15777.11607 16131.02783 14798.02339 14619.39128 14239.97962 9844.219019 12070.93319 12845.62387 13561.8107 11825.03568 11915.24468
Isoorientin 26934.80059 21806.29612 12826.56764 21209.38062 5318.191231 26209.7432 21681.97232 5798.536961 14275.75127 12671.17751 16490.96149 9759.874141 110572.7275 102634.8337 122254.8087 109763.9721 107391.9728 106947.2349 185065.0435 194642.3723 185205.6701 179788.4421 179708.9838 178048.4036
Isoneotheaflavin 3-O-gallate 940.7599743 26.5062146 634.0430105 379.85617 594.9485862 777.1123116 811.2303441 703.6284485 234.0483266 912.7365389 728.0822425 790.0974362 1293.367479 2286.281686 5307.569378 5738.734479 3980.555811 3974.013153 7764.8895 11790.48248 11841.03875 13336.74531 9970.241364 10746.7306
Isolimocitrol 3-glucoside 62390.32622 45003.53546 42709.19126 64265.89151 40403.91268 46445.73647 167831.6641 171596.0943 176978.4616 162649.6344 164219.7505 159518.5942 18782.05922 13017.91689 20226.55983 20372.38081 15383.81708 32209.95131 4316.866862 4047.417731 4030.167936 5957.542489 5549.789419 2906.94123
Isokaempferide 88358.6225 86027.64779 81991.31667 85146.89943 81042.65682 84004.41376 135545.2437 136274.8984 136610.9611 139273.0532 150355.59 137970.3642 215712.5466 180960.4519 110778.5283 222264.4544 212460.7518 212036.7101 69271.36006 73130.36089 70816.04236 70363.16659 72189.68236 67024.76713
Isodonal 7651.581661 970.959866 3578.061029 1074.073953 2663.440614 1393.552771 6205.074149 8700.198172 4038.113497 7448.023313 6331.664487 10478.53097 3835.725241 2305.28971 3358.225993 3546.031698 2075.555997 3963.966818 2934.861744 3616.100778 2368.435581 1570.349325 1463.539178 2440.545366
Irisolidone 7-O-glucuronide 34986.3082 15320.60701 42076.40381 66452.01714 10481.65144 38198.36423 144281.9044 69034.75942 100148.5744 119918.4051 46239.74679 44016.60678 157457.43 263220.3306 280481.7171 216642.3075 225900.6815 213988.0294 131652.3898 131518.6122 132726.8476 120049.795 131176.461 144413.4822
Irisoid E 1237.650965 1042.002095 448.3607437 447.0274099 454.8504239 267.8781766 596.6559809 564.561513 867.9128219 753.5188594 105.5328068 907.9319203 8.00164264 54.90007852 37.40124222 135.4942797 71.05427938 139.9398384 44.15084996 143.9397944 37.65647479 43.94362863 44.52708526 29.16154492
Irigenin 2725449.014 2749153.277 2761591.59 2868334.569 2627523.719 2742881.773 1782562.358 1797936.941 1683405.129 1744987.576 1803316.775 1655262.904 9662521.403 9541430.116 9516317.801 9659810.746 9496585.884 9570193.695 6059854.474 5981854.871 6171077.869 6084917.723 6205115.822 6364154.439
Inositol niacinate 8686.210522 12936.85725 6176.288674 8210.786352 6594.459289 10276.74609 13121.024 6948.692867 10013.8842 8128.806943 11547.49041 9211.440877 110216.3593 104178.1642 119179.3077 125832.4226 79598.52247 88472.71498 41478.96675 32921.52666 47370.13396 35938.06814 25262.57636 37254.88672
Indole-3-carboxylate 2590.7884 2038.100237 1983.640149 2151.784052 1542.280138 1365.865634 15451.24401 10216.30371 8530.552686 22281.77622 11961.04255 12405.74974 6129.668187 5889.665556 9490.6785 11563.68295 7749.382699 13231.88059 2966.040275 2321.384018 3988.980279 3621.001338 2586.248044 3822.210795
Indobufen 2279.884377 2370.329544 1502.884068 2259.084528 1656.847833 2183.96126 592.4395471 746.9709993 406.9129411 734.8672956 1056.937144 910.8897043 589.8376875 487.3439791 231.0024694 766.8805267 377.5009822 700.7016616 134.0537743 403.2910964 170.9335886 324.3309004 134.6194784 261.3189377
Indicaxanthin 1020.064672 1087.894929 1255.209595 1141.800513 1009.894323 980.271683 166.5416865 586.9913074 123.1523813 194.9700617 98.96934492 108.0175159 23.86063534 158.2476452 80.4496463 157.1016961 194.5388832 135.5636932 9.458294557 193.359322 37.61358749 36.95090773 16.17590998 210.8236197
Impranine 8748.052741 7510.566475 8303.343733 7756.385235 7928.258799 8289.917637 14738.80668 14429.85065 16158.41079 15177.59705 16623.86604 16410.72053 18040.69533 18819.89612 18725.38291 19656.94769 17283.7771 16786.94212 20551.34436 22866.14281 23281.03582 22268.94751 21354.38913 23282.90412
Ilicifolinoside A 161.4641836 379.5164898 495.7283282 43.8814749 429.1961182 516.8277324 117.3403325 279.2889422 462.1597973 534.5782739 102.3086557 134.1890604 9829.009121 9185.513967 8421.771177 10430.43711 9693.096069 8759.59166 7377.240108 5804.691144 7133.994054 9358.442615 6745.25057 7534.97929
Ile-TyrMe-OH 17510.54138 20743.35391 17280.81839 17783.71817 19009.79723 18554.30308 9803.725098 9676.150615 10923.76781 11767.94486 10718.24491 8303.400496 2119.804411 4042.617103 3960.255374 7192.637594 3212.337761 3995.974557 926.648622 324.7918875 1773.692033 1047.019948 1518.750022 1100.504401
Ile-Ser-Val-Asp 2262.446315 2141.324719 1607.565658 1948.50016 1976.770094 2377.645362 2914.983713 2771.063535 2575.550968 1498.079814 2448.407513 1973.020964 34270.07742 34016.81201 33414.94217 33794.5104 32384.01149 35372.26097 127155.8495 120644.221 131909.154 125823.6265 125851.6273 127377.6724
Ile-Ser-Asp-Arg-Ile 100.9552987 182.0214867 78.32975359 125.9272581 51.45975741 204.9164781 120.6702481 141.2010852 93.2551053 197.7085731 123.7752086 110.1863212 21.73831927 364.5095729 297.6132323 53.3452205 637.6848325 190.4048696 1854.287316 1539.172549 1386.912206 1271.895147 933.6403399 1427.229055
Ile-Phe4Cl-OH 50313.78343 49689.91228 50926.72592 52430.81779 50925.02195 46697.63656 31803.90611 43054.14974 40609.35089 67041.959 41213.99827 45692.51154 110228.145 104635.5641 133251.2812 112862.7355 108900.0661 106966.1721 17975.05427 18709.67123 19310.85638 26781.83521 17697.33212 15221.20999
Ile-Phe-Val-Lys 552.4639465 552.7814342 455.0162894 354.4715689 280.0112068 465.8726529 20.86183187 13.68595318 793.5784016 506.2367244 22.19346561 423.383366 1974.832992 1269.073137 1813.904991 2297.951911 1466.725311 2320.787751 28361.82699 17189.42537 26439.41133 25104.38372 24010.04235 25260.5262
Ile-Met-Tyr 1336.157868 1880.431867 1258.960526 1207.61263 1900.314082 290.3222891 80849.35435 81997.00863 80000.66296 81255.88124 46.95611344 81074.90263 60401.19808 61928.52985 61704.93876 64325.74201 59951.91387 61627.14167 46167.92 44795.81713 47604.45326 46926.66595 45994.73955 47498.25667
Ile-Ile-Arg-Ser-Ser 744.6571342 362.4101094 71.74924026 702.9117267 599.7213194 68.65697473 432.7694354 101.3494071 519.4295349 339.4933226 44.61913521 108.5378311 4121.524814 3408.932234 3609.355983 6240.15763 3880.071628 3747.685031 11662.38066 10453.93099 11858.49121 11481.182 11734.28919 11950.67299
IWR-1-exo 38241.34031 17046.08779 24728.7066 15730.7047 32824.79442 31190.75566 37496.92011 38059.10526 38274.04512 33804.18686 38727.00841 31191.55775 60.75379558 63.51548323 47.86666605 39.3980261 49.70782058 42.71192448 13.99177991 363.1436114 16.56926985 115.3380689 70.6956383 422.6468231
IRIFLOPHENONE TRIMETHYL ETHER 8367140.579 8558190.334 8755304.587 8400397.193 8145151.305 8456670.771 6511230.604 6540377.123 6317599.776 6423897.434 6618452.221 6503644.456 57324.21883 55339.44681 50687.89352 50088.64023 48514.52714 50178.17967 264801.4756 267236.0066 278716.5653 273226.7037 281622.059 289766.9929
Hymenoside F 34896.4574 41324.03139 32982.65706 45272.78718 11012.90847 35518.88114 92995.80562 89921.82975 92651.80564 90767.2144 103946.8323 95679.36225 96912.41511 93620.02967 93084.33291 97842.25997 83929.59308 98046.53883 3268.659868 1154.69763 934.0014028 802.6083228 2422.750609 2221.753426
Hydroxysintaxanthin 5,6-epoxide 543.0180845 855.2139322 403.1017455 550.129076 252.9409119 85.47356507 135.5352466 154.9145414 116.8011386 109.2770857 132.1468502 171.1012599 1410.479103 2972.865579 1703.38495 2665.042254 2571.772182 2890.470606 2532.146014 2019.72692 3615.707625 3168.136077 1755.206125 3584.221701
Hydroxyomeprazole 1219.021084 1424.744748 468.9078885 624.6466879 599.6515136 402.0911375 1247.693403 1475.229422 1481.00687 483.0531128 451.5795659 918.8919913 3893.949573 4782.163679 4623.551448 5075.719358 4350.085451 5563.790956 14843.40612 13771.23733 17550.6175 15910.35838 15306.12753 14694.75258
Hydroxynefazodone 130.8797077 141.0516795 63.80563268 86.96922078 78.70445988 122.6279523 84.18457054 79.90927025 65.52278414 67.64415444 23.13527832 44.77161965 984.8709097 1365.080017 1393.881313 1191.843162 1246.959911 879.3634754 1904.567356 1844.333485 2051.203172 1982.159123 1958.826743 2305.065426
Hydroxyitraconazole 33033.77772 38912.74363 39457.12429 43863.19687 37167.86554 38363.0547 36043.02175 40944.96608 40462.09773 42757.33268 40162.77204 39821.4262 10437.82064 15996.00221 12501.52446 14951.64327 17171.25185 24865.7939 11070.36572 9657.715969 9533.899957 8439.703034 8703.346553 9933.257187
Hydroxychlor 2403.132742 442.9701083 989.7991607 1141.4433 946.2746194 452.8906093 444.799029 17.41109282 332.0853422 53.44788155 284.0437358 169.2505892 2390.355863 3747.284229 2720.56966 3604.688575 3728.073952 4100.672834 2989.986447 3022.417082 3981.191549 2753.146524 3596.386488 3472.575778
Hydromorphone-3-glucoside 433.2276589 843.268067 789.1699357 915.4001057 935.2960273 1045.207689 2480.778942 2731.702576 2507.062373 2435.215843 2461.384626 2619.786529 10279.61039 10088.49766 12235.82451 9841.842549 9912.999811 9529.941367 5149.119109 5855.390199 6303.43756 6206.881508 8132.579422 6815.609978
Hydrolysis product OF bussein 177.0075045 2754.37133 2603.058851 3331.01342 2745.767994 3573.024497 3163.389315 2998.384367 3101.766571 3492.644714 3956.219886 3294.61884 66423.92958 65966.48531 63103.88711 65361.30967 61787.36875 65399.16252 39251.80072 38383.19744 41390.22856 40653.27881 39895.59499 41987.33715
Hydrangenoside A 251.9193107 444.1863035 465.8152478 1247.594549 429.8066109 567.7367202 1397.671433 801.9836825 738.4065677 1624.688009 1250.715598 1428.194043 295.650372 1036.07468 896.8078102 767.5209905 1057.055995 1185.206313 2171.11326 1628.317133 2660.734247 1452.335198 1808.703919 1640.722744
Humic acid 45094.80647 75618.43547 56571.47173 47575.72682 51905.38659 49128.13756 102441.362 53376.69761 53417.0356 183630.3805 98614.54302 152609.8684 131333.7597 115961.7578 111489.1388 123674.6807 114118.7785 103081.6515 44227.60403 42081.8403 48210.89596 41266.01977 42204.6514 41822.19954
Hopeaphenol 15278.21302 17340.30035 16598.59087 13156.12289 16165.27409 18555.50954 18556.32229 20475.13096 18260.52524 18423.53742 19085.51063 19013.77634 10449.68776 16305.02061 16612.49843 15306.85518 13864.28978 17078.57714 7082.966877 6958.506053 6650.630237 7069.123031 7049.098831 7393.180016
Hoiamide C 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 4579.855593 6192.186135 8372.337408 6497.124061 4203.061194 5246.138071 6507.828404 7184.783995 14698.89158 9040.589508 8709.557879 8281.654038
HoPhe-Nap-OH 2417.465515 2806.497375 2247.927114 2652.768554 2520.479025 2299.929876 1244.779389 1219.218789 1359.332074 1313.152604 1366.106227 1424.163596 493.9689472 15.35085339 419.2689371 389.0517714 306.8436033 2.612894668 304.9343641 9.145103673 394.9858358 484.4414897 28.63308178 376.8552494
HoPhe-Gly-OH 14514.11808 13453.08536 14689.30486 14155.59754 5183.555805 10372.95399 19390.63594 19834.7325 21351.42807 20179.87321 19805.19246 18187.25531 40888.44752 39687.32237 39825.71352 39070.62513 39009.80982 35639.25975 50648.95354 47729.35499 54639.8606 55607.5007 51126.61082 55361.37001
HoPhe-Asp-OH 433875.7251 433204.3957 418838.2898 439206.5611 410046.1625 415072.3022 3189862.854 3200544.184 3165762.519 3211432.079 3396412.166 3285208.32 7095129.154 6653174.872 6908187.072 6880674.393 6862975.875 6677154.458 2970105.504 3022177.676 2913575.843 3013275.965 3022362.571 3336841.655
HoPhe-Abu-OH 15127.01993 14546.69719 16038.28365 14683.31865 14955.07509 16325.92216 28290.87728 28916.46484 26964.87836 26612.4764 24291.67488 23312.53722 10377.29803 8456.42822 8590.514219 8925.850378 7262.292128 9188.695016 9896.710473 9348.635571 12987.69448 9457.687027 9600.542968 14416.16548
Histidyltryptophyldiketopiperazine 180.3399228 715.5230132 870.4768116 112.7932943 102.801011 844.3173624 209.3881679 264.4144004 93.45344831 155.3333352 278.665925 40.97338561 267.3187708 1803.08148 852.2219926 330.5361591 1540.676032 901.4557603 17585.38036 17501.76238 18082.09123 17579.60473 17588.85096 16845.01363
His-Val-Thr-Glu-Glu 657.7863989 750.1467596 713.7347334 634.03715 419.9350595 1180.633629 886.3630847 545.5448387 611.5666164 586.3593677 816.9961937 432.2479049 6033.671167 6653.829405 6261.947973 6143.257779 6207.312577 6360.318715 4490.756409 4406.396877 5399.663006 4838.174646 4793.377807 4974.873085
His-Tyr-Arg-Lys 100.6213231 661.498425 422.2027407 643.4458745 789.7028155 802.2338324 101.7864125 1061.695119 694.0250548 1333.907669 1573.286944 763.2562456 3386.759586 2877.873555 3617.26698 3272.370466 3455.916978 3243.299474 12665.28078 11862.09 12974.85589 11636.79207 12806.04894 11125.38448
His-Thr-Ser-Asp 31529.09582 30075.80755 23730.94123 32060.84491 26981.53662 24967.51392 17684.41472 16524.60217 16021.39336 16877.23476 17877.48979 15865.51317 879.0189424 776.4123333 39.68032626 970.8087092 32.39170344 732.2286405 3.239159436 599.7225003 53.44623198 22.6743284 1123.441768 1100.134675
His-Ser-Thr 968.3210054 793.2200806 1124.462791 1149.6175 1111.695953 1011.73235 77.95247117 358.9634106 325.1049737 295.7864656 434.1333618 99.45278525 481.2463362 332.5371892 518.2522817 369.2862756 758.5308527 563.4822274 213.0396377 144.5108203 204.9022757 246.3609304 97.05453901 248.3324701
His-Ser-Ser 469.3787102 562.5532452 684.153025 695.4494544 905.2388818 1103.486106 955.7679823 1681.330823 485.6578959 1321.522007 2180.878987 1203.332355 2135.230418 2117.924518 1757.871362 2159.707424 1943.354845 1415.278054 5002.799048 4309.647093 4682.28011 4704.760419 4287.004574 4982.097127
His-Phe-Tyr-Asp 11982.35457 11105.77531 10689.87495 10849.02581 9759.868837 11068.04724 12632.23969 13900.79103 11254.2342 13418.73824 15420.28045 13906.64099 1378.176107 757.395676 1047.482182 5712.389572 1077.335823 1140.645334 304.2720809 229.9201808 607.7988139 458.7991081 388.3119669 589.1346223
His-Phe-Asp 1495.451623 1117.978196 1056.036402 1810.068251 884.7496888 1128.547515 86.54747018 747.8607167 546.9574446 373.8472702 612.4111931 740.6741953 14026.68496 13007.62722 14932.54933 12975.3701 13112.88514 14695.5085 14742.0944 11622.02851 13345.15852 15337.10896 11798.78844 14647.26407
His-Phe-Arg-Asp 688.4064749 697.3198368 1657.221532 1064.65341 2136.722855 793.7960058 902.7026709 2108.378028 969.6075869 1412.853714 4185.559455 1361.70355 473.3258457 286.8218277 481.958626 438.0739131 370.3650592 389.3660578 398.9298597 304.0124573 458.4074679 523.5642977 118.6790461 358.4707756
His-Lys-Ser-Glu 2003.631719 1493.822502 1787.919948 826.3087329 1848.311342 1347.952201 4835.594175 4571.72705 5710.890313 4137.537464 4698.432351 4430.138414 14819.59392 13469.79708 12343.42328 15567.81086 14083.27423 14035.72595 2384.137585 3859.608053 3827.496313 3245.794344 3525.060519 3103.266142
His-Lys-Phe-Lys 223.210051 482.3686782 367.8887682 437.0566384 225.7637503 203.1756793 284.821011 316.4384157 835.2550902 414.1608373 295.7648751 399.0796535 2517.524386 850.4506602 1923.861883 1418.883242 1258.17782 710.4234459 2952.551414 1649.029046 3362.814871 4152.329851 5229.622257 3658.16084
His-Leu-Trp 1049.563681 168.4453776 538.902688 115.7639697 411.7849649 629.0809904 274.0654154 556.7392254 558.1932105 415.0302732 737.7800602 400.5561774 3803.908674 1400.510404 3585.793984 2298.699489 4332.821356 717.9071216 6916.426737 4326.783904 3501.514733 1875.740283 3329.574921 1971.396809
His-Leu-Asp-Gln-Gln 101.0363587 510.3852088 55.17807796 199.3902472 155.8075273 144.6791079 357.8857251 315.0403132 135.9249229 248.4474938 125.99394 137.7888767 751.5274596 1718.052047 1683.669928 1769.874146 1324.421203 981.2120194 8361.037215 4971.419998 8342.852983 5046.865969 9183.163822 7773.848662
His-His-Ser-Lys-His 68.81013578 221.7292851 91.76756128 50.37206037 14.78671786 5.977083117 459.3805035 18.67782182 336.9751447 6.225974313 209.4310784 296.5548325 2319.238043 3158.476091 2497.215888 2911.223881 3505.203781 2849.590824 335.1209967 386.9421625 134.033178 442.4736498 204.2450449 332.3468945
His-Glu-Trp 1319.617677 1209.75011 1473.786161 1485.112868 1518.853719 1617.564464 979.828028 1700.984028 723.9809026 1316.169769 1355.14204 1475.748064 96.63190951 56.13221036 101.3840064 133.9884997 169.0476264 69.58601717 111.0511794 82.48851135 42.23681586 405.717105 138.6213218 165.8588508
His-Glu-Phe-Gly-Asp 34575.87086 38184.27836 40551.52512 34088.20719 40.58618285 35456.75626 19249.04439 17043.98186 20243.94443 16348.68811 16910.66069 15488.09873 94468.22259 90444.97987 105212.8318 89691.5641 85576.52452 81234.10114 4851.355338 24049.50039 28186.71311 27070.71945 19857.61268 14281.44972
His-Glu-Met 4469.072159 5450.385453 2396.591663 4279.733422 4425.06362 5497.040828 4202.61146 6429.233459 5585.450961 6244.901594 5642.395526 6121.522559 95.17400516 143.1728673 305.1345358 289.5646066 115.6073918 201.8692015 800.3894526 722.990828 497.8121042 516.0522834 256.8617377 485.7461264
His-Glu-Ile-Glu 73678.85968 75288.4202 83655.30361 97304.75212 72528.18783 83533.00331 39590.91738 40808.47278 37415.50811 37625.20934 42496.84177 37471.86252 59.72912963 33.97298968 1977.4918 1744.816171 69.90527367 1669.857847 47.87825317 207.9452931 18.48764875 37.75458432 28.90611189 569.2163544
His-Gln-Glu-Asp 467.3954948 591.2551687 300.0368491 454.6795591 422.3088251 647.2769932 158.337691 706.0926559 346.4675674 136.4355981 322.3242655 135.2753026 616.3215191 289.3549556 1358.863544 1092.725308 1063.236852 649.1352704 3481.969171 3341.206872 3368.741779 3166.611646 4045.7862 4138.818655
His-Gln-Asn-Glu 159980.2226 169151.3707 155552.0723 210470.428 167334.0458 158360.9759 114872.998 114805.6785 105783.7109 116670.3823 128718.1288 107034.1843 76.55805112 45.57489237 96.13711381 10.67323744 64.62982175 55.59586671 79.75888261 5.340964432 3.560643765 2465.215305 52.51916423 39.20014546
His-Arg-Lys-Glu 9.075318759 10.7351014 13.7661356 17.21447054 0.234330072 15.59100331 0.702987184 1.14234222 9.76644214 0.351396658 2.108968704 1.945666981 2.899828455 12.69734802 5.46728975 0.966606803 0.156219155 7.804070652 0.175746943 6.026813837 4.984689548 7.571240781 2.773675049 0.35149535
Hidrachine A 16601.682 13823.88597 2619.240233 10834.3582 3346.312529 16201.82655 24539.29702 27135.256 23322.07038 24455.71308 29025.97242 22486.24913 2491.9231 6283.83219 5905.800873 8039.088236 7062.65151 7567.004048 1807.394654 2592.712498 2097.151322 2905.590524 3040.452065 2398.466715
Hibiscitrin 7277184.724 7397770.853 7559571.286 8189128.861 7564460.566 7769121.039 5652990.558 5701065.687 4968912.184 6079905.853 6435814.366 6140303.405 23945.86386 23488.9191 22587.66819 36430.08426 10847.63647 22749.93036 3525.046718 11585.46128 11298.14332 11347.40501 4960.046842 10385.66751
Halopemide 153.0896865 92.47511483 137.0137375 128.8179683 361.7260537 208.1239321 205.1697017 84.64793586 86.67436538 513.8754492 581.3506148 317.6754521 235.7046709 157.4859623 310.5093335 542.0427794 180.5833473 476.1769106 1544.416358 2018.146077 2145.539526 2167.231164 2183.018624 2302.705818
Guisinol 185.952713 209.0637866 150.1277997 62.89831963 12.84663769 95.87185515 306.3277285 184.7931335 129.0332085 184.6017696 195.1638582 68.51224369 13659.38928 11916.54549 13296.43925 13487.36769 12066.14584 12738.43651 63.46860551 221.4269037 105.4321296 95.39341131 167.6166933 413.165006
Guanosine 3',5'-cyclic monophosphate 64177.38233 63247.23539 68536.5873 65568.70331 63867.62594 73810.63659 59158.76951 65572.40673 63896.87332 62670.14028 64351.22933 65665.31658 785.5570667 2805.515326 2192.679067 569.7259358 759.3216654 2188.234234 381.5889969 947.5348566 689.5000949 28.57286713 58.39690183 1130.342532
Griseophenone C 1636.895607 2032.139543 1367.28507 8416.505041 2026.157705 1693.854469 8792.484763 8483.39884 1315.541616 7795.622571 7910.681746 8312.016104 49053.87381 52308.08237 51196.49181 50393.87145 52505.37401 49191.54986 5966.520854 4717.560057 7558.391712 5674.160491 6448.940159 5997.82977
Grepafloxacin glucuronide 3662.20611 3680.085085 2956.143627 4531.026173 5782.445036 4231.285055 7996.428173 6742.952479 4124.279192 6030.794236 8413.928883 5005.318664 7735.770299 7210.19166 6495.738166 6767.752008 6862.017161 5162.365271 4741.917271 4011.732686 1711.829196 3935.385595 4260.316067 3058.909162
Gossypetin 8-glucoside 3-sulfate 36.41106449 234.1285052 184.4273944 65.93754594 190.286722 78.71971863 298.2637566 152.4206915 37.25106724 132.2892635 179.3179242 44.58598121 3752.489526 4091.028873 4347.599644 2522.351448 3715.891457 3854.957606 770.0673597 607.066124 893.4294564 464.978999 1167.680342 900.5120034
Goniolactone D 78681.79341 60870.82429 65932.86462 66104.41655 59396.99802 75957.33798 136654.757 205791.2246 112476.4045 150895.1089 143951.5325 150600.1035 12198.9397 14232.5554 21813.93102 14741.02209 21930.03736 16157.78258 36429.51379 27279.24068 27486.28655 29584.7875 24767.15148 32567.73885
Gnidicin 49701.846 48880.44129 46853.21093 47154.08678 44316.51249 44212.70001 48249.78895 46430.54167 45919.4312 41821.30432 46327.70967 42968.05555 50729.65234 53441.04075 53805.12362 56061.79439 50202.11396 52659.59286 61846.11124 55789.76959 62160.20658 63674.20864 61161.62593 67052.66961
Gnemontanin E 3102.380023 3578.994075 2715.835572 2144.799439 3123.302411 3125.4004 6206.779179 4122.483492 5364.49059 5722.552606 5294.724811 5123.551211 19511.46021 19526.40943 16564.05027 24912.11039 19262.62616 16468.29574 1538.043794 1508.999711 1227.670658 1251.002647 1216.896293 1360.505337
Glyphosine 3614.197248 3269.956475 3176.375787 2851.245163 3294.455078 2789.727266 3291.287948 2869.105952 3372.946234 3045.345798 2553.600383 2820.66464 3170.919821 2744.907845 2357.965568 2219.204504 2178.45404 2019.122171 2271.900123 2719.59413 2791.283709 2498.409988 2377.55271 2388.366236
Gly-Tyr-Asn-Ser-Tyr 65.21802621 143.4087756 655.2547289 1158.892537 267.4896961 1878.282205 571.141917 339.7631354 22.01111958 337.5154532 30.89405083 539.9097812 155.6270495 256.6326164 234.7849115 182.0395509 279.2127169 375.6569788 11047.97938 12261.50941 12774.30848 11356.78876 11504.72349 11734.56385
Gly-Lys-Thr-Ser-Glu 102.6330072 96.97869378 262.751668 250.7549076 211.1979 97.2038714 191.5783661 442.3871774 469.3137135 529.5109158 350.7069523 374.1866959 7921.705247 7977.491531 10806.90388 9198.135116 9290.171461 9056.842166 8073.060799 9187.78923 8893.455839 9033.69591 13249.84272 9295.923309
Gly-Ile-Asp-Lys-Phe 140.7624386 92.83638932 227.1469791 134.0488486 158.2022424 63.8032721 32.50451578 27.4754554 134.0649527 35.81627274 13.98303351 32.82320774 1644.655236 1934.660297 1872.544566 1762.423563 1772.567623 1731.286294 225.2007341 282.8497375 251.9757493 313.1476726 463.6498744 275.2450586
Gly-Cys-His 1384.83237 1443.751236 1763.249698 1687.759786 1700.259541 1033.707988 768.7268724 974.8126038 457.1425839 766.6095483 599.5628699 632.7533186 3113.609465 3224.241179 3155.971738 2945.304586 3322.575435 2771.875193 2057.224343 1623.277323 1543.033948 1516.075568 959.5702572 1375.02828
Gly-Asp-Ala-Asn-Thr 441.360049 274.0787276 564.2034164 557.792724 545.3722117 2315.804616 658.8720989 609.3325273 753.0715208 2338.146126 1084.064827 316.3119107 1881.454285 9425.767264 6503.35863 11188.28678 5482.495138 8746.960194 4391.242792 4330.817296 6578.313916 4150.271029 4749.351963 4544.543528
Gluten exorphin B4 2155.902852 5220.944257 97843.22951 2888.253397 2033.67244 4855.464407 22154.24155 17594.03149 10166.25793 20828.48152 24371.92862 22540.30143 80839.59683 82883.74312 82584.49385 86092.11763 80238.28501 2081.431184 61790.0995 59953.70807 63712.72311 62805.58791 61558.3187 63570.592
Glutathioselenol 917.1196962 1364.733084 1136.678825 1001.287651 885.0533492 1410.273076 701.7914781 730.6028469 944.9868726 805.5358786 916.310856 689.4708066 738.3059701 527.1624008 521.3682536 433.7089961 411.3387975 316.3464907 185.78358 15.84564404 33.6365356 18.23674106 11.59043714 116.6744179
Glutaminylhistidyllysine 3685.947274 3871.540244 3445.09779 5239.75686 4531.934517 3700.104443 692.7917622 482.1028468 941.0131342 292.9479573 1086.168899 623.3021162 595.9072541 856.9728782 1377.798083 874.6281511 797.4389704 197.0550045 900.97124 184.935593 149.3712623 44.25820615 437.8409716 265.2859402
Glucose 284375.8898 309068.7375 279438.901 271713.0661 264222.7654 266759.529 113749.9262 111679.4914 106736.1537 108723.4752 94890.50846 94496.09169 70893.29553 88293.27638 65927.82506 72112.79187 69740.99763 67671.47554 34013.55618 29143.00345 32973.23003 37450.90323 35614.49038 36236.77739
Glucoraphenin 59.18036163 123.0750172 167.973462 122.1854747 176.5922698 116.7198854 38.40568371 70.18246798 90.06807932 80.77453141 24.87460566 86.44578472 5725.116704 4459.57216 4393.702675 3473.922649 3361.606189 3320.06563 1040.637833 910.2097923 1071.940685 1070.04996 1274.270206 497.6300065
Glucobrassicanapin(1-) 7570.892935 9873.964104 37763.89179 9272.441956 8124.515061 34726.72006 7856.669232 10510.42247 7407.716433 9026.782131 8088.209826 8011.579616 11602.60905 13443.1901 16116.82111 14656.17974 15012.84448 12382.50286 3980.416333 6307.486732 3537.51844 5273.145909 4702.472622 4871.73922
Glucoberteroin(1-) 88710.80161 96410.04575 3172.794687 4779.359906 22524.43742 59737.02637 44115.48377 73509.53956 72682.52722 87335.96198 79666.29443 40753.88578 2492.837285 70610.90631 100099.4997 64077.49059 23813.83632 75363.65952 118664.9391 140217.4791 90953.27759 83248.26931 95148.03491 136292.1174
Glu-Val-Gln-Glu 152.7692246 437.0876399 277.1505667 334.0729311 616.1978184 910.3199123 252.1266211 1175.324981 861.3004289 625.5613007 2708.042001 592.0493905 13712.91146 14024.62993 9001.764254 14573.36817 16901.38828 14276.79789 17003.4949 18142.77598 18410.31795 16246.21099 19611.52616 18535.53361
Glu-Thr-Tyr-Glu 17826.02999 16639.87997 15882.5775 18813.60485 15720.34788 14605.97934 23219.70091 17198.56627 15760.28832 16979.62681 18320.25949 20804.62554 74.60411676 806.4431719 984.9232468 869.1462784 1543.717908 31.08488782 587.5921887 457.8596612 787.5882745 2697.085186 848.1290778 723.0147193
Glu-Thr-His-Glu 440.322338 404.7516406 38.75171123 113.5469515 171.132024 334.0177294 96.90399828 5.180245952 32.85252444 120.006341 84.82241802 22.84313 243.5958211 106.0474896 172.1688182 171.0370687 92.33471136 109.7897217 104.2159833 67.6486846 47.35245461 66.56751627 58.4741588 31.88342779
Glu-Ser-Val 2111.977452 2476.736556 1813.596581 1098.178869 1289.809306 2306.210169 3896.782345 3683.282859 3755.233899 3886.143211 4124.447039 3542.566804 1510.387593 2463.394198 1581.088517 3198.379498 2773.3133 870.0131386 2032.005693 951.1243005 2259.567704 2694.957684 1746.517326 3121.290855
Glu-Phe-Thr-Asp 7637.48131 9089.960171 10257.8513 8876.707204 6369.159693 9167.766376 10349.64238 12394.42312 13354.57254 13304.08796 11443.78868 13865.04696 518007.2168 553396.666 541394.0001 551037.8008 476228.69 515464.5591 977424.2044 942354.7845 1010378.064 962978.5279 1014601.431 1016266.295
Glu-Phe-Asp-Glu 5685.583348 5778.245822 4896.540971 5687.023524 5122.597485 5236.783255 4080.166516 3827.391723 3678.147334 3267.086097 3954.550526 3341.841843 250.5199829 174.317259 101.2605383 358.5164134 303.5534886 191.3563662 402.1019468 173.2449705 296.0272605 184.3523574 269.7204943 64.08609203
Glu-Lys-Phe 74.4952078 100.8835413 1014.16784 54.48400662 130.96421 172.7881763 388.5129534 417.6510426 1013.603464 1208.513691 141.6945394 200.2279132 3898.69612 4000.327341 3510.954393 4068.650928 4286.675737 3861.239619 1327.746385 579.0991315 1206.712643 998.7718974 936.9935189 1398.99101
Glu-His-Phe 3818.722247 3935.895533 4798.201072 3341.080574 5498.547965 3460.028064 5109.274114 5932.56701 4506.547592 5891.033748 7832.400807 6076.358426 11842.33763 13642.38876 11902.43809 12088.70798 12635.27527 13283.58719 7440.341921 4984.954096 6099.604214 5543.343317 6384.407915 4976.226557
Glu-Glu-Met-Ile-Ala 659.0823087 639.6444033 749.0334447 892.9823954 681.152912 817.9474313 763.5084814 1046.335623 730.3150032 986.9411959 902.7111717 898.5728596 10105.57447 7759.57596 9099.78835 6441.783797 9160.183347 8924.197957 4930.006604 5501.143422 5835.794507 5729.644105 5630.359647 3755.696085
Glu-Gln-Phe-Arg 124.3781508 115.5836018 32.97914223 3916.679993 57.4778342 3011.706526 3165.48898 4043.867813 14.4479172 3438.848992 3354.341622 4925.383737 35408.85678 38902.81107 33141.33535 37981.99325 39811.32689 36098.68322 26237.4534 24448.79068 31771.89924 35090.67345 24623.90926 29030.21148
Glu-Cys-Tyr 2412.03161 1490.116318 1297.783601 709.5133937 2282.132973 2083.116092 843.5972812 2034.044685 1083.457565 1427.543229 220.9198916 164.8039779 6392.227253 13319.1669 10152.69935 12246.73434 10533.43656 11226.08262 28901.85492 28236.39596 29848.242 29063.93717 29680.984 30581.76804
Glu-Cys-Asn 35.49427846 99.97582616 68.07153141 54.94427464 20.96374404 78.35478311 135.4413319 127.1519999 134.0025373 704.5430052 787.452945 222.3102152 333.4844093 109.6823031 402.2141023 146.4710018 632.1957731 247.3159261 1731.8465 1510.640199 1302.061031 1539.570137 1339.34096 1302.960284
Glu-Asp-Val-Asp 12473.73953 9040.70558 12423.2741 13637.77956 15541.2051 12653.75428 16012.07426 14950.10643 15877.6281 16620.78819 16297.78863 13937.59318 77143.06007 79654.26788 74916.45878 75102.02205 75625.45076 75519.47142 162070.7927 144828.8587 160545.7246 162811.4137 161200.5889 160184.3175
Glu-Asp-Trp 407.7240936 1964.343664 2181.159109 1702.888105 2524.897132 1699.434565 4010.893256 2192.68301 6883.117785 3494.29913 6015.557954 5888.88298 11.95055679 12.65349524 48.42452782 8.201320595 9.490140273 14.81364293 27.94297636 21.38194457 104.8547112 120.3161169 139.4317984 148.3155188
Glu-Asn-Lys-Asp 548.4732713 1426.088029 315.6007535 254.5124506 519.9746127 330.259581 156.2569124 584.2741308 454.3130973 621.7128266 404.4368634 458.7548227 3423.978826 3259.651203 2471.794412 3335.108584 3361.239936 2968.377138 12291.64264 10925.95037 11555.19073 11835.41232 10757.11292 11412.08507
Glochiflavanoside B 3918.647462 40491.8318 3675.135406 4802.218648 5631.12062 27246.08528 1983.197495 14522.41785 3940.836449 3885.594859 3578.887478 3061.704009 82247.42423 89845.5962 70737.70482 72785.74558 82546.09286 78672.79892 138583.1545 140020.6851 130191.0957 126731.207 140520.1412 140917.1844
Globuxanthone E 10489.78659 9466.379248 10087.20757 9436.045627 10258.58015 9349.473838 6753.690493 6263.445232 5692.341035 6742.029403 8095.051328 6766.963825 146.1583961 93.8487301 131.9143504 89.85701635 27.74574318 2929.975165 760.4328409 5.889871384 8.761771398 69.78692518 58.25594155 8.664473081
Gln-Tyr-Thr-Lys 2095.24949 2061.866291 3075.009363 3053.656242 2265.637773 2579.068534 2451.597715 1821.674741 2053.922951 2010.524915 2649.14423 2342.628924 214.7207877 117.8290631 217.8006317 183.8491918 50.83315014 18.7692457 236.3199279 16.55336047 48.48689242 16.68366722 350.3602141 458.804967
Gln-Pro-His 51711.80439 61717.0748 43252.93668 56289.25383 71754.7853 54194.0248 49714.74012 43810.28357 51115.89875 74029.65963 61798.9786 62986.95647 150805.2134 168026.9458 149785.727 146785.4146 150782.729 147107.161 70466.64076 73521.99816 93682.749 58185.03469 79537.97539 86492.86862
Gln-Lys-Phe-Arg 25519.89154 17331.53854 17537.88823 16381.4876 16171.15026 27804.3877 16435.70901 24479.18097 16672.11201 15714.81084 17879.84535 16266.08596 70224.09044 75960.02159 71985.64987 76183.29252 70398.23813 76072.89224 103717.2902 96943.06973 162553.4526 162603.5881 102787.8845 108164.4119
Gln-Leu-Glu 191.3458179 202.8107444 118.5611465 168.6644025 126.1423355 108.9715348 228.5756402 120.8861938 544.6486122 127.2375239 433.60157 33.62536494 2959.912618 4321.232281 3356.723578 3180.83944 2241.685814 2808.617264 1378.640283 1028.478332 2003.057889 3169.993433 1456.061384 1732.749232
Gln-Asp-Leu-Glu 9015.756045 7737.440041 8905.434505 7662.931821 9398.395742 8488.66502 11954.05828 11527.4206 14290.34125 11273.77363 9591.289882 11689.33429 1992.251529 3276.609956 1183.885983 3018.488517 3178.613545 2590.894816 577.3495044 2118.856333 2640.303914 3738.299717 2154.559225 3471.846325
GlcCer(d18:1/24:0) 1054.311728 618.2171346 284.3061891 1223.863516 224.1496848 342.3866215 14630.77212 14884.00646 13216.99133 13849.0093 17484.72811 13043.16 2129.753123 23782.78508 5765.829167 11968.87104 28540.58517 15543.73844 960.8012299 673.8669762 1356.961885 1444.165502 1194.259067 1302.822877
Glabrin D 15449.74582 497.4006434 22689.59719 365.3830213 14612.62046 428.6732071 18654.18289 33924.91273 25725.5558 22086.73382 26916.40286 30716.89756 540978.763 519443.3112 595677.7487 535376.3606 512422.6194 529196.9971 1149086.944 1234728.216 1210108.281 1223159.09 1217175.99 1216737.82
Gilteritinib 55520.04362 54769.09895 51942.89826 56222.76056 52204.15659 47936.17515 64248.76956 58320.36661 58370.40749 56070.19277 65238.86954 72688.38518 82916.77317 66398.41616 68676.13778 71640.8233 78217.09505 76471.21551 92222.86524 83052.61604 89813.17756 79478.60297 74410.02292 82420.49755
Geranoyl-CoA 385.5137079 378.1020547 843.8126047 202.9020581 355.7971404 195.7057702 348.2663113 58.99993002 495.0520943 770.7768972 373.3129413 266.1267393 11986.92131 11343.73023 9525.557589 9634.30153 9034.874438 9057.866622 257.5846992 71.95060442 369.2137772 259.0236665 1156.056918 1440.667526
Genistein 7-O-glucuronide 184386.0484 187577.4523 149137.4354 166204.117 186108.3177 177706.6887 132880.8069 141521.8532 134629.3719 133736.4235 146405.8976 127709.6413 8992.317759 6743.971878 748.5011453 1058.651669 112.3443406 521.6043962 179.752783 307.3443232 768.9604432 662.0348538 2001.009059 4537.982932
Genistein 4'-O-glucuronide 87907.86813 61728.73347 87148.95991 87699.89759 83406.38822 87909.43363 73487.91194 81747.67906 64155.38351 81697.90188 83740.22627 103863.5176 111413.4542 109049.2384 126450.4667 132109.0468 125968.0752 126947.3183 34954.54787 14419.73948 37976.81012 30585.97531 33178.15124 33399.29471
Gemcitabine 5'-diphosphate 1218.515377 1105.279497 889.1090432 1240.301097 883.5771041 1439.453646 1712.020816 2425.046496 1694.946373 1572.657745 2027.240671 1733.22022 19279.07523 15311.61273 13465.0955 13116.97459 11506.75968 12414.3891 10628.46233 11519.55284 11837.04267 9878.843526 10382.33795 10605.12405
Gardenoside 8064.382946 6963.774108 8591.458579 7199.366463 7785.618737 7403.474862 21909.86442 13374.37793 13700.36657 14297.93401 15146.08844 14502.81644 2502.694816 2278.524604 1678.319625 2673.503117 2087.540015 1907.562526 2174.917636 1232.343823 2545.140176 2687.997026 2776.624113 2422.602429
Garcilivin B 5956.887262 13079.67265 6211.307418 6539.930057 180.4668551 6982.070331 11284.13324 7844.199183 1866.627094 6045.987217 6674.479431 3811.665447 300592.9105 301048.602 306392.4536 310644.6199 295709.1027 302490.0482 117432.4253 111008.273 121186.3171 121546.8063 119526.9445 124721.6381
Garcilivin A 195.6280664 298.7634247 229.4881418 274.33626 191.7931091 226.6152952 54.6776986 53.77609853 15.64797447 17.96068963 70.06157046 17.18000159 6.485278359 9.290996441 3.406707557 1.788487791 3.285238695 4.152037436 5.326959426 2.167397566 8.320961883 4.898915867 2.60694227 11.00378763
Gambiriin B3 2796.085695 1804.104772 3031.272996 2802.55471 3107.080466 1551.860556 1888.520256 1209.871929 3612.526627 2518.470056 853.7642443 612.0730745 50124.38309 52268.91595 50449.61204 52588.2018 53137.16492 51891.64074 15062.54806 18265.1803 15317.80283 14153.14465 15163.19325 15376.1583
Gallocatechol 174413.4297 173084.3423 172329.4252 177336.4811 154938.7006 167576.1682 183918.574 170431.0753 154865.0794 163357.2987 188599.1579 169103.0719 678.3284208 566.4610175 305.0167659 9451.634868 8282.610434 801.2864897 529.0406482 387.8874424 232.4478003 546.8119066 895.8783274 760.2714572
Gallagic acid 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 2748.967924 2177.159662 3571.790985 1790.902982 860.9565249 2324.369357 892.8238895 1401.553899 1297.604002 1585.716515 1947.31615 1648.628986
Galactosylglycerol 25847.69251 25517.81737 27938.97924 23325.65085 23130.90521 21222.07184 515301.2965 35792.9736 39731.63231 280997.864 541155.2354 534562.7781 141962.4659 166865.1966 177837.2507 181859.4144 214402.7809 177762.0282 11236.97186 9063.518003 10019.81325 8327.138076 10433.30605 11289.98204
GalNAca1-3[Fuca1-2]Galb1-4[Fuca1-3]GlcNAcb-Sp 2022.131383 4077.793418 3922.973893 3044.293814 3297.906711 3542.106903 2037.702081 1451.497167 1179.83285 1704.784887 1554.144758 1511.864937 125.6561755 645.0432406 338.3601183 844.9659721 207.211677 209.1758757 398.1121275 128.33893 81.38584562 308.5526101 41.58737349 326.4382426
Gal1-4[Fuc1-3]GlcNAcSp 5563.936686 5233.395671 6323.437506 6268.460644 4967.47718 5133.799899 3365.886759 3609.82668 2209.565996 2752.63577 3721.872412 3636.620514 47.00505479 287.3191006 247.3362897 35.25351442 508.0205071 67.3437234 746.7125244 265.1017327 43.69040845 13.10712377 204.8831506 124.619456
Gal1-3[Fuc1-4]GlcNAcSp 28296.84658 27634.98211 30431.62876 26185.44668 27424.63083 27955.80122 30311.98334 33753.76877 30071.63051 33003.86115 31535.9044 21645.13935 51105.98501 49647.36433 50374.06721 49309.3519 46122.32478 49175.93658 55167.69741 56213.20274 60027.70887 57409.9484 55337.74327 58968.80424
GDP-valienol 49.11972195 7.989849728 40.9134636 1.07806876 8.76960035 66.18618502 12.61340134 2.445742405 3.215176993 12.37279998 4.546889297 3.399086672 36.32132934 10.3684635 1.542801901 10.76163955 20.45156845 12.47706476 12.92939769 3.551281397 6.67767039 30.72890879 11.35142021 3.944476624
GDP-alpha-D-mannuronic acid 1303.943453 829.6394651 703.7050976 725.9348698 572.2406851 724.2507746 384.0900293 468.8012173 617.7780148 121.6097576 305.7076481 234.3261982 1794.720484 1432.816934 1187.497761 945.0256246 1192.423086 1413.709263 195.8979736 205.8880033 221.2061294 243.8980421 121.1295528 61.52618123
GDP-D-glycero-alpha-D-manno-heptose 106514.0207 113073.7334 107624.0028 120246.08 104382.601 105458.6627 40045.96313 36624.84235 31444.6082 34270.36251 48755.57671 35170.20526 5512.464441 4344.242398 1509.858689 4951.772844 3256.30086 2301.292402 1221.661595 47.80801853 27.96924901 1448.552693 100.6574656 43.5800501
GDP-4-amino-4,6-dideoxy-alpha-D-mannose 127630.5564 112134.5788 109156.6017 104311.232 93539.23967 96728.09948 85676.18268 89503.49618 95377.62644 84479.88702 88921.31637 79601.33508 162.0277741 570.1192177 6438.85487 589.744635 797.9550422 1341.904878 249.1998754 259.7325632 384.1998333 786.979792 148.5692322 659.0863769
Fusaroskyrin 24312.20505 26672.84136 22242.67176 26368.58945 21810.10472 25312.31162 232611.3762 164147.7822 165807.2201 246467.8518 264521.3055 160355.2406 94600.22166 107792.562 111287.2981 127025.9321 128680.1148 133744.2861 5641.10416 5324.867017 5019.990812 6795.014467 4494.967498 5875.9823
Fuc1-2Gal1-4GlcNAcSp 61392.32729 68753.55812 66134.68665 61722.2273 60108.53175 66266.10485 44928.89374 42989.45268 45065.93092 43625.72693 42516.37316 41542.11327 130744.3012 115631.9489 117937.5706 117594.5896 108856.4945 115262.5398 128888.1102 129234.039 137375.4848 135450.1486 132180.3834 139647.0246
Fragilide J 14663.42942 18016.35701 12900.37858 15151.37695 14234.5755 13551.10703 19402.98265 19462.43805 20808.57916 18769.61919 20416.71496 16951.77883 17712.13076 17812.26721 24384.56343 19345.71664 18422.12968 19043.18784 11139.62319 7555.009819 8834.59523 7485.870272 10172.93461 8481.222288
Formosanatin D 170217.3888 169571.8824 165064.085 175745.0404 169840.9632 171690.4128 93567.36143 92935.70987 90693.22601 91613.10757 95488.67156 98162.05674 2850.539364 77.54868413 4285.51737 3297.718221 3282.586866 3104.071935 175.0874334 441.5408617 1820.781495 1010.566892 1455.991252 1031.476289
Formononetin 7-O-glucuronide 27.84133265 90.40864852 1260.47787 535.7691978 2269.921282 291.7800924 11333.69309 3635.33509 2661.561271 9700.593081 2287.496101 2113.043783 20212.06854 29511.57462 20209.14216 23090.0142 31441.38356 40204.28308 9511.103198 8935.099425 10718.18732 11066.50963 9497.477257 11328.36613
Formononetin 7-O-glucoside-6''-O-malonate 1981.982874 1416.579583 1707.176228 1681.531232 1110.286052 1316.135212 519.1377335 812.0493265 591.9989939 870.5013727 920.6617697 712.5133505 6147.383356 6932.690796 5052.172894 6048.544617 6446.415229 6181.595169 1198.767634 1356.765618 1501.246858 1386.978023 1486.78333 664.4142311
Fluzoparib 44371.88641 47931.56861 46698.64719 35063.79583 45274.2508 40860.25998 21667.09171 27462.4598 21983.74816 24182.20343 20591.95337 18345.18129 1260.060926 1390.163965 2243.403476 3536.749036 617.1981065 2422.448664 406.3912515 865.6389348 289.2371731 526.0428305 1475.54444 1726.068449
Fluralaner 25.75460063 136.2921513 202.3514559 235.800804 75.02441154 187.0747364 555.7294511 497.6159983 177.0942334 104.8841194 561.9354444 189.7368732 3237.566184 2045.8453 2080.702269 2682.65558 1856.930725 2285.250975 3612.783838 3592.978377 3313.455559 3861.529279 2656.353985 2560.940684
Fluprostenol methyl amide 28084.36152 27343.78633 32131.44201 28036.03367 25932.07967 29146.75921 44570.18109 46051.25459 55803.4802 45229.70339 45720.86721 48033.74484 3935.333498 1903.41772 2886.42333 3564.951673 1154.310122 4305.602699 6209.226423 6255.756068 6384.182984 6389.402808 5968.624348 6990.078359
Fluperamide 161.5341948 238.726195 101.4038178 218.5454478 29.67898951 9.443316224 34.40052495 206.1455702 162.3853818 115.2481789 9.668134361 86.56332161 119.3903006 71.274325 264.617098 29.00445687 70.14978382 64.30461963 2687.606852 2890.876556 1901.500843 3120.403384 2037.998188 3201.430796
Flubendiamide 15737.37921 16427.56176 17092.86376 17683.66561 15267.52162 13994.86385 14397.47767 13005.24095 13908.90076 15423.42134 14773.11182 11614.32296 70139.64564 72802.18987 62438.9073 72192.8246 65019.90176 65632.8989 52300.55867 58768.7617 63145.00125 54430.43707 58163.17139 50365.72253
Fluazifop 416.5829952 557.7221977 310.4771559 407.0037598 25.92323885 303.508903 88.42096577 762.324517 169.0423708 76.16211351 490.1146498 94.04626927 3746.54585 3835.968309 2038.501093 3904.964192 5275.226439 6095.244068 1853.775717 1675.838634 1629.564703 1568.049086 1700.472381 1641.134299
Floribundoside 13801.64146 22056.56446 14307.37992 10455.71981 19835.05255 11571.74477 2109.204228 4362.184708 3468.193779 3511.201065 1769.223508 4497.430324 878.1726381 1083.827066 880.0214818 1176.483065 1383.672952 1480.278308 38258.91391 36639.69825 38245.91854 39130.5722 35543.1412 41637.93398
Flocoumafen 1488521.468 1399835.29 1400721.359 1355284.855 1346550.381 1381206.362 1312088.622 1284327.91 1292513.931 1338077.812 1306912.274 1304281.386 56440.53902 152319.2009 154585.7698 149838.7441 145069.6737 156367.9541 10203.70355 20256.37058 10976.74655 18873.03248 12619.51254 20990.60526
Flavone base + 3O, O-HexA-FeruloylHexA 349.2089192 790.064089 837.2075366 661.5428095 557.6804572 565.1034476 1166.94014 720.4914464 829.0721906 1139.679837 229.0511912 127.0790196 8610.468364 4549.029008 5180.126161 7085.444169 6484.712651 4253.335151 242.2685809 396.2488835 442.9715114 405.6640322 240.8268373 415.3440548
Feruloylamaranthin 39984.18182 48206.31477 45584.25084 38748.44982 21315.9789 42683.58071 147939.678 146312.6424 148085.8136 130244.306 148929.4143 122404.9179 1047.098033 4037.559132 3087.866923 3353.837017 3608.91021 3060.93888 180.6293253 172.8191452 171.1225756 416.5987831 39.3852537 2628.088337
Feruloylagmatine 18886.57192 20892.95878 19888.58052 21859.0367 21642.67461 20741.84297 8881.111049 9474.45273 9425.97721 9752.927692 10892.74706 9691.431155 10198.49857 10964.85117 8470.991569 10738.95014 10219.86534 9833.72996 1937.978008 1879.447267 2052.675907 2039.788698 1929.475831 2163.215929
Fenarimol 81906.11539 82342.28605 81652.50567 84118.94907 78123.47883 81412.47852 48078.63904 43081.06728 45275.6472 49898.65841 49745.68144 47314.6296 281690.101 297286.8127 6609.49248 281795.8246 264637.4309 9453.130183 27481.62585 27756.92651 12392.69767 67992.41665 27101.6114 112167.2317
Farnesyl triphosphate 24875.81666 18802.53099 30079.97259 24934.5845 26523.44762 21737.15945 21570.21968 29832.20236 32056.01362 29731.88736 36392.32395 30462.41577 309227.5413 313964.3318 301631.7275 312658.1033 299073.0018 300343.9101 86867.63642 90474.17942 120714.5263 87900.84402 88499.59646 86687.73445
FD And C Yellow No. 5 free acid 375.3749641 283.5994781 20.42239208 162.9199174 25.63218146 205.9587996 122.6134306 51.46081751 109.0263965 239.3843845 28.16072896 231.6840979 2659.856631 1932.965478 2196.371936 1302.235027 1332.521157 1855.091625 1015.911053 1529.477183 849.7154316 747.2202905 257.8491312 1092.800543
Eujambolin 6314.250193 8148.936215 2033.388619 7238.204735 2906.491856 47015.25423 21991.93375 20450.76076 10185.34322 13771.76809 29714.7682 9504.964707 104988.2941 103131.8381 102975.328 110532.2964 108582.7121 106537.6154 230065.2777 208992.7519 234487.6982 269346.0135 209133.7542 215440.1379
Eujambin 2474.204195 5664.596305 4244.514977 4034.035168 5322.784006 3106.659224 24339.04312 21575.494 19008.20452 21434.08628 23665.60375 3740.595387 295.1209359 844.0336275 930.5880996 680.9731272 641.9048264 392.220306 737.9589246 589.9569978 614.58615 215.5721596 203.2593683 783.2008657
Etoposide D-glucuronide 21066.92455 18245.77525 12702.8698 21876.63 14519.55396 16368.63301 20400.03425 28896.96591 16372.11898 21406.13542 21434.92698 19501.59053 35431.49219 35714.14205 32885.57244 33918.2034 31262.16294 33661.52949 29599.98925 18687.64297 22395.15719 25584.31451 24047.4257 26747.04907
Etofenamate 143.2049778 7489.763269 3450.118919 164.7143526 3485.840353 8032.575171 124.1159177 5781.961246 71.67173052 3750.854999 6932.287289 5059.472125 208125.7424 200470.8259 204988.6644 196885.6158 204212.9573 193560.1994 334418.6814 329438.8537 335864.3636 353671.2128 328550.8743 356212.8104
Etiocholanolone sulfate 6430.342776 4192.492156 5346.723488 2907.345109 4855.294431 5809.762705 9331.85078 6593.511669 8663.324288 8359.226651 8358.534569 8536.994201 13239.86041 15371.87875 15337.06844 16052.89091 14465.77541 13293.32054 14934.34116 18017.65878 16075.32219 17224.53861 14889.60665 16740.16639
Ethyl methanesulfonate 299.2303242 57.70498724 30.48953297 94.94722983 378.3985145 105.8951842 155.1263991 221.3970643 232.7230235 116.6384403 254.8565532 113.66356 4980.457427 4491.031711 3924.452319 3771.99876 3738.3489 3859.695231 3723.758102 3199.310179 3407.920244 3788.7928 3607.183476 3876.267909
Ethyl 2,4-dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-benzoate 65876.15027 68712.43051 79533.73904 80280.79945 71526.17143 62858.30065 66527.51753 74841.49366 68040.81953 57190.2291 71378.3696 56606.21621 31300.96824 31291.65528 33083.01132 30592.37189 30481.00949 9539.025361 49044.17448 47019.69072 53097.05886 51472.64386 50899.43659 53780.70802
Estradiol-17 3-sulfate 43022.48252 14859.01009 42069.34341 36173.88165 42014.22253 24164.23171 40561.30452 38085.09018 39787.4358 38860.48673 37525.9899 39091.8925 101836.0957 100113.835 102816.3181 104489.1109 98135.05768 95368.59575 55347.3837 45670.84033 57231.25997 55728.8725 55290.7449 56116.4304
Estradiol 3,17-disulfate 68849.09357 162.7819091 52585.04332 60901.68351 1784.330662 52508.8771 125.3081687 400.1620781 490.8982802 2735.163929 92.96247914 570.2596064 2626934.09 2500104.104 2566529.118 2559004.077 2552004.354 2494302.184 2839086.44 2798523.82 2951548.721 2811804.479 2818472.938 2812417.329
Eryvarinol A 5180.136973 14201.58345 7234.611832 5452.161346 7981.870771 8321.313322 18464.84187 14121.17262 26579.47081 17653.47916 15749.45108 15066.26813 1175.834309 909.5503355 1691.21515 949.8241752 652.2051792 765.4393419 674.3114037 204.071894 92.47006553 300.065687 394.0495416 1040.433693
Erionyl Yellow AR 1765.404299 340.2981004 1103.684772 600.2418787 259.3697952 930.6159046 14416.31757 9220.080185 9710.391451 12786.80013 31258.99324 24948.70401 190.1674718 313.9895909 205.0370531 148.1299804 96.65623999 1091.974337 154.4211224 957.6598666 213.4737752 453.1133791 116.9597232 221.790766
Eriodictyol-6,8-di-C-glucoside-4'-O-glucoside 1661.430304 1052.511864 3618.603729 1765.568938 467.630783 9989.151842 3473.495849 1716.94557 5054.046344 12763.85244 2317.35944 13503.05928 7103.695498 3110.067949 7439.813726 10459.41391 4984.799036 2468.206373 5315.643547 6301.41096 5495.143197 3962.02116 5075.985082 5471.303805
Eriodictyol 7-(6-galloylglucoside) 216658.8888 211835.6368 216870.6786 216631.1021 213782.705 204208.6929 240319.4531 242717.8517 234367.707 237699.2863 233769.1335 234771.5452 15533.89688 3556.307285 778.1493901 2830.935132 3039.549745 2823.129359 1983.577549 625.83582 2350.250894 3399.392602 3523.447017 968.3301659
Epigallocatechin-7-glucuronide 576737.223 560435.9567 610025.6402 622474.8703 563845.2006 572541.3513 660794.6672 609627.6467 631281.5567 604661.5652 702898.7357 635948.5276 43971.76139 45741.32239 47450.55362 41301.14998 41858.38333 46761.23946 44932.18734 41572.60302 45485.10332 46035.02878 42859.919 46328.04263
Epigallocatechin-3'-glucuronide 12340.58487 11075.76624 3450.45202 9314.41582 5714.172377 9147.435954 4957.723673 2055.959331 6255.381531 2733.358426 5793.388958 5531.426564 122867.7601 127649.7682 127563.8042 123854.6422 121334.6409 123047.0741 16738.55322 13545.68712 20296.0862 15863.51962 16048.61919 15701.64383
Epigallocatechin 3,5-digallate 178581.4897 175783.1509 178395.3671 181155.6343 164480.1693 167365.4379 141036.4005 141078.2307 134379.5199 140242.5039 139195.3752 134851.8058 6989.557495 63.42079174 7832.471537 7588.466206 7395.078953 6803.36765 4351.635818 4831.452808 3252.689481 2269.912029 3048.273858 128.9861593
Epifisetinidol-(4beta->8)-epicatechin-(6->4beta)-epifisetinidol 2931.479765 63.08522839 161.0044744 108.3251597 2360.610119 3142.800325 19.99128056 56.9850656 2944.939969 2300.763826 11.68923408 2037.182787 11602.51481 55559.24728 49928.37687 54754.84226 51821.10064 50861.02834 83554.35204 17666.7559 82927.26079 81073.94178 78083.78832 85308.30057
Epiafzelechin-(4b->8)-epicatechin 3,3'-digallate 228012.2299 241064.4768 246983.8867 255209.8009 239481.3348 250738.4964 240262.0964 234510.6903 236102.5113 242452.995 242112.8794 235705.3131 471.3613818 6619.682703 4896.082766 8368.720664 8313.358516 4876.334814 1771.509075 1661.923618 2810.213379 4407.751836 1218.150445 214.1157498
Enasidenib 38.42832351 40.60637724 103.7973096 99.60459336 119.2401662 89.44770225 38.46916078 161.3217434 166.329288 125.333873 146.4163693 25.18167349 2903.444759 2409.612075 2298.42735 2879.451159 2755.281571 2833.005935 141.8939048 179.8646078 203.2027591 193.2102613 141.9593208 126.7348537
Emodin-8-glucoside 313672.1556 312065.2746 320122.2619 338020.5818 298030.6572 304958.7577 404525.0034 398507.1838 386853.5412 383859.5035 424422.58 356615.4629 223255.6501 250826.0711 220974.4049 253746.3371 256142.5423 214508.6375 189351.4715 178262.8346 337628.8426 344478.2853 171008.903 176913.3521
Emodic acid 47636.50039 43023.87127 43838.01895 42590.75319 43077.72638 42524.77686 39319.96562 37972.24485 37099.27269 35865.1726 37409.3783 39905.63206 7139.191502 7667.251749 9308.822401 9709.941677 9479.780143 5877.560618 3801.348859 3092.58938 3015.37298 2558.280076 2395.710916 2612.56443
Emeriamine 421872.3233 422143.996 406474.0524 415179.1764 391610.9591 407366.9494 449528.4576 455909.5012 444809.67 451788.7775 474644.4575 450782.5229 335835.1792 344327.2581 535.886791 357655.937 1155.183968 504.8876875 256697.0885 249068.0939 264684.3208 260915.7727 255734.1922 264093.8599
Embelin 14615.37896 13358.88395 12531.65318 13299.24126 13183.64565 10802.83007 23887.25353 22332.19691 26093.13104 27113.08184 25140.16719 24611.09453 28622.42573 28228.56631 31490.0616 29381.65369 28127.49374 24762.491 39206.32388 34930.30195 42202.4184 40292.8191 35828.20955 39389.26938
Elephantoin 29887.97349 29811.88079 29456.02089 32738.55537 30324.76884 26261.77832 22729.47628 19934.78759 18049.25028 22360.66815 22425.73421 22532.89532 3223.550306 15119.32635 1495.891406 774.2668333 14510.04769 2581.359007 22298.14621 22312.20312 26039.16487 19180.42085 20467.60367 21268.26902
Egtazic acid 35634.88181 19699.22049 33959.85003 33275.9388 33627.55566 34214.22587 65856.26657 67205.41476 66467.42446 60123.58649 57627.9834 57453.39961 2894.687946 4901.576484 4046.019816 4607.090242 52.92856544 4013.108973 1136.865191 1162.894176 1393.789332 89.03804269 50.45490786 1691.014166
Egonol gentiobioside 76100.85263 51700.08618 49622.87537 75232.2617 51272.16245 72644.41557 187381.4083 188456.7513 179997.446 167842.3023 138843.6154 183631.3865 215.4905183 651.5767292 622.772611 496.6135789 343.1066804 460.150763 142.1823488 320.7748671 583.0783777 325.6057583 474.1897258 244.3346314
Edoxaban tosylate monohydrate 2368.211393 430.6967969 930.4204841 1159.785512 833.475238 1026.989568 15073.72525 3468.409996 5398.721855 5624.059081 11196.64496 9671.347164 181.6927551 1259.034 685.2959597 2207.484909 1693.371025 854.6737406 5659.031717 3397.192076 3721.842083 3478.556813 4914.225164 5949.360367
ETH-NAD-imine adduct 1659378.044 1692028.301 12043.90002 1661173.101 1615324.306 1588775.128 1408339.195 1404575.121 1404848.392 1395042.752 1466100.596 1379019.881 28371.42138 13718.92184 56176.03124 1480.044945 13497.49985 90229.50091 8310.6994 1230.457487 20867.9267 4950.913149 1694.758841 3500.609024
Dynorphin A (13-17),porcine 297.5992261 338.6164158 271.7959826 55.5046427 262.9249524 287.6985092 73.4023378 166.0189454 277.1780931 85.16272992 369.325033 198.0331908 3891.697082 3532.276378 3902.682325 4148.858593 3821.25488 3885.692905 3077.104956 2576.422985 2924.93185 4308.539892 2506.203032 2855.653785
Dye X-17945-212 672.2389317 136.5481517 597.115518 256.3715927 334.9769408 276.2934048 507.4891795 322.4754479 597.5225322 389.4371177 519.4203242 624.3985205 2047.004321 1976.233006 1772.987307 1950.725564 2333.282148 2005.570197 510.3363464 311.7996591 601.8485739 550.9305478 541.1110829 1064.478585
Dye X-16768-260-Ba 1628.98743 1903.338345 2178.303435 2010.531162 1765.911136 1886.30156 241.3062522 417.3669294 46.56263046 405.9042458 330.6640655 173.3551108 399.2666847 218.34918 282.5015901 135.8662989 140.9265933 166.6819742 16.27564513 96.63523752 100.060268 83.28320803 100.423941 65.10280833
Dulxanthone E 21075.38217 27102.12426 22408.07133 23197.68031 20220.2506 24885.57549 12944.45645 12932.32992 12549.50202 12459.58999 12982.41105 12602.52682 10593.75124 10100.46 12061.91175 11095.33374 10336.98422 10300.40898 11783.67151 12286.14608 12460.31133 12520.96166 11256.00409 11569.89452
Dodecaprenyl diphosphate 1623.366108 599.7093783 736.9012049 480.2778482 212.0841998 1074.260862 504.9680228 1402.485915 286.8940672 1968.237348 869.096864 1474.673593 2885.266829 2554.54151 1415.765755 795.7826265 704.8902418 255.2880869 735.9379893 2234.286711 2107.185795 3084.909416 3303.528105 2710.507839
Docosahexaenoic Acid-d5 29125.48917 29441.29058 26643.74469 28480.46108 26210.98011 24035.91127 48421.88094 46945.64801 55155.34671 61565.56283 54268.19895 58316.18244 59196.90091 58370.72339 63449.78374 50819.1886 51986.06577 57723.93092 69286.06091 43803.49201 64304.79279 64953.40553 70310.14025 56777.60308
Docosa-4,7,10,13,16-pentaenoyl carnitine 1756.324771 1767.818476 1191.096157 1836.992052 1065.04327 1105.072792 1462.413292 1481.571547 1150.654865 1749.154755 1337.953887 1473.168496 4854.186269 5115.825419 4971.242826 5259.840434 3892.789052 4511.656966 18497.98403 16244.14414 17625.35181 17407.74976 16644.1538 18000.6634
Disinomenine 15506578.8 15516564.55 14940591.2 15260561.69 14394274.9 14973411.03 16523123.38 16757668.64 16349676.94 16606204.98 17446301.34 16569218.52 63922.7823 12656288.32 12610593.18 22348.83357 12252328.76 33162.78257 587991.1947 441553.4076 942875.4563 515657.5792 445881.2227 686874.8245
Diphyllin apioside 16998.92783 11177.52744 2238.882588 3815.5834 1242.150395 8034.44893 12799.19238 14354.05134 4604.244101 10675.77618 13637.18813 14284.5995 41323.96246 42171.60154 45284.98784 46697.11828 37323.32519 40695.28746 24422.20106 27366.41877 22343.55504 22416.38773 28766.82564 50144.29904
Diphenylmercury 24830.35792 25980.33051 24366.77345 26048.58959 21985.56434 23989.62837 6480.346982 7197.411684 10401.10581 5209.454173 2132.044851 1170.2761 9716.877108 13256.14322 9112.658952 9652.179803 13566.08514 12297.66777 8789.282744 7873.425187 8658.203218 7716.155581 17778.93497 8555.838184
Diphenyl-1-pyrenylphosphine 521.5578469 504.7685941 368.4578582 824.2678781 379.85615 309.1548651 439.8368981 692.1501233 119.200736 467.0604452 723.5448621 282.1811551 11083.34999 14352.92423 13721.64294 11221.62809 10554.19126 16478.83166 8306.261624 839.7124049 9412.121297 1716.828929 844.9587497 512.4520074
Dimethylenetriurea 354.0568916 352.7233388 646.1898856 691.6961261 474.426621 714.4015632 839.1621648 157.901229 615.2636659 608.5312907 504.3520446 450.984565 10175.38772 10729.60271 10689.00165 11249.41681 11363.313 10363.9651 12821.22412 12333.70136 13174.61684 12173.55025 11756.8687 13494.90288
Dim-tolyl p-tolyl phosphate 280.2063848 98.68217954 336.4557663 133.4090014 58.96535234 568.758287 137.1492289 6031.837614 111.111741 313.0657675 3985.513324 90.5364917 70895.61257 67880.00214 41030.73607 39770.93694 68468.01802 36399.27003 645841.7438 473212.4503 468564.2319 651126.217 478676.5237 490379.8699
Dihydromorelloflavone 8279.712133 6302.89883 8962.009607 5567.390585 3919.472694 7686.189223 8504.978887 7949.161906 6407.013252 8613.768721 8579.603593 7253.14399 328.6705254 132.4914944 414.1614618 283.0885548 247.8043644 77.65941564 62.59772688 555.5914598 581.9910661 50.00790766 687.6325283 23.53310153
Dihydroisomorphine-3-glucuronide 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 440.5437236 380.1003119 67360.45391 243.393873 443.7889029 210.9417707 3683.375244 8002.485137 4078.894366 4549.868335 6055.376597 4366.376177
Dihydrodaidzin 5240.790649 4574.524643 6174.711048 1661.817579 2780.159547 5717.033172 39795.83425 29564.04342 28794.73468 33532.28816 46252.95578 43824.95234 75356.54444 129600.4031 128140.0845 69453.41739 118811.0288 122145.9132 120731.8628 128014.1872 123259.3463 121780.7396 126141.3838 126111.8137
"Dihydrocephalomannine, 2"""",3""""-(P)" 414.8596769 604.4457957 806.2250407 441.2973664 540.7240103 912.2395202 170.4367384 337.1433972 246.0039729 328.3312987 524.3249305 311.3328784 5751.585631 3844.736929 7014.434517 3567.939224 3978.502842 3945.232439 4819.879428 6363.792968 6036.066042 8127.900596 4737.311659 5690.31871
Dihydro-heme d1 1102.25338 491.4047924 384.8366775 773.3939841 674.0677783 954.1032544 6559.056397 9246.513016 5002.292213 6551.057309 5301.938001 3963.547032 27063.99966 27939.52834 25829.35928 29351.75043 32431.17288 31944.46714 2999.311226 2525.2936 3261.551439 3084.221524 1938.583311 3001.461599
Difloxacin 15294.59433 15795.29146 15322.84388 16887.17502 22483.01122 22618.17702 18779.13746 17656.47697 15179.43102 24287.00557 19793.75822 17646.81378 3215.366406 4109.835236 3307.383448 1191.867779 3779.189878 4175.907458 1337.279896 2397.07259 2471.012124 2958.231818 1647.58351 2378.007767
Dicyclopentadiene 180.3494645 88.75481448 140.6406565 33.07702692 113.2144727 130.6790484 241.2767153 424.9811086 247.8361595 209.5094579 316.5314183 228.5025189 1657.604664 569.8263717 1415.201504 1723.490667 1055.98339 1511.557823 306.2115099 308.653821 329.890066 228.6810282 190.1942439 423.0408558
Dictamnoside N 883.4496804 366.1264818 813.0741191 374.1938727 991.4489707 595.5311156 535.8368599 407.9006898 1134.809372 1102.533598 2435.95015 1220.848881 21976.89946 22997.8805 25189.98119 25641.00925 23507.55298 23712.80996 58186.30757 58388.71547 64892.11275 66556.81762 65438.41668 66347.88094
Dichlorprop 30902.73048 30451.53822 32195.94713 31719.24508 31375.82203 31471.61448 26818.65288 28208.30477 27198.04829 27358.92174 28571.43685 26152.54609 29760.3569 29208.47991 30287.64074 30791.4669 29285.703 28683.92773 31445.56815 29720.24777 33694.7483 33735.08701 33815.02533 32027.32086
Dichlorophen 20149471.31 19434900.56 19109162.52 23688616.7 18924997.2 18400407.9 16318248.07 16453391.35 15882681.81 16158740.54 17626608.92 19317531.46 16716.75913 11520.2737 15469.16252 11222.9207 19365.38026 10764.8054 10645.3286 14654.58658 15855.67438 11513.95601 13874.3926 13232.06761
Dibenzothiophene 20239.06223 19664.28247 21134.12475 20774.7669 18016.1155 18553.49443 10821.77035 10658.55967 10568.84732 10724.99316 14271.06582 10600.38195 365.6316163 268.1808953 208.4837504 255.4327334 249.2002039 300.0962286 845.8804656 1180.77358 1268.090096 1186.163715 1254.298848 1164.289657
Diacetyldideisovaleryl-rhodomyrtoxin 5899.167225 9953.582022 7203.611952 6003.681099 3704.838832 10336.4967 2451.022419 2269.897486 1912.75338 2741.915714 2191.128035 2128.44219 2463.876586 2874.395259 2673.871251 2830.069053 2758.596181 3186.351905 1490.765085 2310.201628 2392.88854 1777.466588 2130.634072 2593.408962
Di-trans,poly-cis-hexaprenyl diphosphate 2314.31763 1543.275179 1317.350352 1527.751066 1344.387166 1466.044851 3720.912773 3022.251125 3765.106198 4451.54644 4394.522766 3269.176099 5903.692773 5660.289784 6322.949863 6334.480377 6350.554175 5942.849692 27634.02197 26014.17212 27806.94139 27175.65432 25511.09946 27127.40751
Desmethyldescarbamoylnovobiocin(1-) 456.8286704 60.16304119 124.8010957 176.2137188 523.4940247 125.3928848 142.5026295 28.48551344 157.9480338 52.2224111 41207.89148 87.5994051 269.411818 207.6015237 1246.532424 633.0337904 427.5061731 50.96060046 18097.43833 17535.13743 17220.02475 16185.92257 15500.7297 15960.53979
Desbutyllumefantrine 8427.866131 6942.848704 5184.376432 6134.177714 2346.295522 6420.103766 18957.48437 16982.00865 15564.34298 19252.78857 16535.32338 14362.14672 1246.059679 972.3634763 769.9266804 1163.071255 951.9987358 1380.200222 2849.183659 1587.271155 2247.798189 2232.595074 2480.133281 2736.797579
Deoxycalyxin A 3'-hydroperoxide 843.1763853 685.2760528 749.5074347 819.4834533 1418.52234 1427.46627 447.4748031 438.9106203 596.0571551 1281.548778 831.5651343 1130.611491 11576.29595 9318.339742 8560.04907 10577.12578 7912.511527 9769.896827 11151.34739 10219.39194 11760.0056 10100.09222 13387.6764 19648.12221
Demethyl-desacetyl-rifamycin SV 572.3483155 2420.919003 2846.432787 846.3615856 1373.150236 635.3972844 157.5605719 451.400269 1063.817846 1284.567701 210.300732 295.0291837 17481.35505 17857.30675 17136.31102 18398.29495 18289.93105 18315.63579 46423.16591 45281.23879 47182.14082 46943.64977 48072.27797 48173.58078
Demethyl medicarpin 308.9483363 1051.726007 1248.21726 1074.574739 1253.828512 1205.524894 2216.372851 162.9308878 380.7554433 582.4830786 827.3548215 1041.823464 292.3814299 8026.443776 6836.418791 7799.078134 8745.716221 7412.19686 6540.816746 6962.208268 1942.704684 8731.958396 9178.562981 7133.426741
Deltarasin 110.51211 118.4671391 223.3947489 26.97938837 89.23922352 169.1397179 121.7529325 112.5867199 99.26977542 72.63663765 225.1728726 113.6240954 1032.651583 849.3294468 3302.238399 1545.086691 1980.381694 1756.726472 1821.179433 623.8085787 1117.910917 1287.3937 1223.926439 1855.866304
Delta (Phospho) Sleep Inducing Peptide 147.3261137 424.7255766 512.1226605 380.2188469 270.2235149 108.682631 289.8206251 668.1420256 564.7367838 554.1139778 610.7814399 442.7831168 6128.565548 5505.90086 5922.355659 6696.79485 5215.00147 5836.257203 2488.321532 5474.675081 4430.987442 4455.180387 3526.328817 3077.58575
Delphinidin 3-O-3'',6''-O-dimalonylglucoside 597.1091636 439.0708744 570.5359568 552.3656989 627.316599 809.7475517 37.15466716 25.15293942 67.56724033 47.83027288 125.4985301 91.50459986 593.4324385 747.2846927 694.0163859 608.8493129 537.9993396 463.203015 380.156027 227.8203471 73.38375586 56.91878266 58.92453194 84.45406691
Deglucoderhamnoparillin 414.6564795 540.2134875 396.7311239 422.1555594 9.619224301 511.7976592 22.89392109 560.0385125 36.85076269 322.0783133 426.3920111 423.0339721 10150.8878 10507.94333 8543.402392 10380.80205 13006.37609 8620.456121 7031.183751 3280.149795 2219.537759 2951.847069 2665.009597 2865.282047
Davisioside 10361.46023 13546.21205 9305.675182 12743.63963 827.826173 3038.849416 4102.796114 4320.000038 5031.357371 3976.106826 8062.55652 3408.495157 190.8261223 154.5115904 153.1896737 223.7465569 201.2130303 140.7612742 95.41268242 115.8178261 90.69756784 14.36708368 141.3785438 71.3063695
Dattelic acid 4512.395057 7262.304537 4691.806029 7402.516098 5509.632775 6061.100919 6175.661523 5669.093289 8154.398338 6791.892453 6109.802351 7141.724416 24424.70855 23615.53063 23593.63473 22852.73507 23035.27321 22862.03941 5621.94448 6564.144185 6631.910568 6930.54065 8167.784474 9066.131346
Dasabuvir 1965.859219 4148.326774 1964.149289 3555.654016 2175.317714 2941.467789 2135.250083 3374.457291 2214.777451 2931.859014 2160.612007 1920.887822 67.44277257 107.1723525 238.2371244 48.3406797 39.76413814 79.72334428 293.505059 10.72069064 148.7253688 110.8130868 78.94305732 61.40052853
Dapsone hydroxylamine 278433.3477 257007.652 275393.0372 287724.6885 232809.5578 268152.7149 170755.1103 185583.8951 149789.9143 174501.4927 188916.1622 174192.8927 1312808.491 1231463.571 1311428.63 1276204.849 1313304.203 1171948.044 436813.8312 387941.7975 439312.9736 433381.1571 384103.2113 451300.534
Daphnoretin 5483.873338 4979.574062 5384.519139 3000.994461 5286.607551 5322.510313 2926.40912 2724.462859 1962.184387 2838.443686 867.1404786 2256.248312 618.809393 251.6230269 671.2073347 235.3884243 886.4239346 639.7758497 250.9615355 186.6238932 544.1923487 625.1483792 436.5188025 186.1060147
Dantaxusin D 525.3046925 667.2340844 632.0629597 571.4044834 545.2724694 480.9770487 16.21829267 475.6880912 430.3777423 447.0428665 460.7679117 471.6948871 2035.723535 2065.565339 2144.464414 2137.381505 2401.937771 2432.068657 371.2195976 584.455261 471.2601348 405.0217492 390.2233708 648.3120937
Daidzein 4'-sulfate 10206.06838 15215.80498 13117.1751 14334.23603 10981.80737 10770.59655 11287.63041 9851.077974 11563.94157 13891.64305 9529.153825 15192.31286 186.2328596 108.2545355 330.7435547 1152.014528 256.4542066 687.2189608 636.6878032 374.8795255 227.7019567 50.88344059 546.3609086 359.2361765
Daidzein 4'-O-glucuronide 16469.5408 12802.6769 7974.836829 2575.607257 11079.22709 14235.7568 19404.92667 25315.23673 20358.35849 23963.89634 25362.04784 20947.93419 64842.8016 64676.20871 60370.8936 65365.01407 61417.47619 62805.43756 280346.6762 258370.1257 281859.3299 274170.0527 262297.06 281604.6251
Dahuribirin B 3281.032334 3131.757222 3551.026603 3964.877092 4583.367586 3054.130181 3197.510182 2638.945192 3207.913275 2550.327553 3283.997884 3100.706553 31644.18319 30370.23697 31968.0881 32570.04829 31334.51288 30716.05599 53417.03386 54115.28924 56486.40979 55978.42642 56834.25965 52918.83303
Dabrafenib mesylate 97.8663073 25.90941003 55.35906251 44.73186412 76.67643766 125.878496 66.82858725 34.22073498 120.0711788 58.15125383 120.7218037 61.87420175 173.1306665 233.7366416 136.2936593 129.1358658 293.2637129 154.0706997 344.4911636 140.3721429 207.7630239 207.9923189 185.6748195 318.9156032
DL-Glutamate 5593.690491 4062.486796 5876.636778 6538.241734 5288.965824 5124.406246 4731.438176 4279.284338 4322.014374 3847.162928 5668.457787 2531.305932 2387.484166 452.8385188 1056.116848 1614.667895 1034.359064 280.0830691 939.2474961 4636.423221 5546.592015 1384.960396 1432.978019 3026.943439
DL-Citrulline 9293.998538 9414.087985 10535.93709 9164.01274 10024.24675 9341.838616 4661.756511 4517.34925 4561.862412 4509.572048 4583.007368 4654.342103 90.95962938 37.99842481 155.5526703 134.1132266 87.49110784 203.9088271 284.9945571 1352.559757 56.74660109 66.32630407 1018.60553 28.28216508
DL-Carbidopa 2692.182082 2542.046641 1579.428168 3270.686159 2438.021351 2429.718601 3268.114098 3995.98716 3719.781449 3348.22845 3250.366453 3871.583782 15348.82701 12925.59999 20070.58327 14993.98713 15490.45846 13558.57167 14026.34749 13130.46738 13599.36708 13422.86722 12538.33032 13050.7473
DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0) 3603.100131 3729.347139 3149.665065 5352.415941 4753.177112 3158.855235 1774.0789 2658.66318 4597.237069 4795.666348 2682.051229 4768.497053 303.7413814 209.3467853 355.9514945 356.7220488 303.999987 212.3379658 113.1872522 125.6083492 84.85066256 168.6766605 175.024319 460.3797923
DG(22:2(13Z,16Z)/24:1(15Z)/0:0) 180.2385445 351.116919 280.4156434 25.13652635 120.627948 183.350875 454.5427046 105.0643186 203.6590391 56.1806981 376.859592 361.673697 2459.232446 2604.531078 2061.635338 2816.490362 2958.910037 3006.717807 625.9487595 405.535849 847.2314426 810.5409869 673.8540462 990.0092275
DG(18:2(9Z,12Z)/14:1(9Z)/0:0) 570.1313252 732.302219 1017.580879 1001.924531 500.9932975 1190.946639 905.5701721 1133.164496 1069.871443 1004.093934 1211.725816 686.4189592 571.1236077 742.132791 517.1649895 536.194413 475.936413 789.8099117 668.1304913 156.9303089 402.9923877 454.1594921 231.3086989 351.9319852
DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) 2572.866855 859.3656219 1249.18959 1511.611084 1735.22772 24.26565554 20906.54908 18124.89134 7584.921023 10997.03123 23188.7649 23952.78559 1735.678429 6867.585583 7665.360381 8449.196648 10122.20317 7991.735489 1369.962665 1134.671912 1390.247763 1106.218402 20.72128702 1429.833371
D-ribofuranose 5-phosphate 15675.55244 36244.05656 16552.88824 35339.08297 35171.65271 13992.51485 9388.599491 21855.64204 24157.98225 9658.051818 11238.91975 41454.7575 2789.764771 3964.411824 2877.298568 3675.306706 3628.418462 3441.398226 1712.523226 2230.262834 2885.279483 2711.982098 2594.324912 2645.875703
D-fructofuranose 1-phosphate 15822102.66 16234436.44 16174477.42 16328933.61 14931345.91 15366355.11 18423521.82 18359725.87 17762654.79 18014642.83 19608383.63 18151828.14 1813281.231 1731783.505 1714111.811 1809233.698 1654523.746 1699182.779 818527.3096 743041.9881 827043.8994 826213.5079 766240.5819 807060.9272
D-cycloserine(1+) 255.1355614 269.2292212 72.38645852 140.408923 182.696504 353.0182355 201.0577189 207.979419 124.355461 339.7604712 288.1900293 268.8269194 2806.50016 3362.19174 3021.09431 2911.443292 2919.855193 2723.630765 16099.82795 15086.21166 16507.6819 16021.89685 15330.35543 15983.55971
D-Quinovose 2196.490572 1272.833871 1861.585791 2108.520054 456.287719 1275.728542 2954.384228 3257.39111 2371.043312 2823.867879 2757.967462 2944.8947 7776.321229 7271.284707 8259.795784 8225.220015 7792.703405 7779.462564 19870.54491 18840.17602 21041.11786 19678.67596 19262.37091 20757.85602
D-Pinitol 149480.9193 144610.2409 138352.9893 231006.4377 141336.971 241580.0327 1535976.976 1106575.815 1285894.649 981868.1539 1627991.922 1362216.945 571691.8789 600780.6647 596286.319 794466.9782 734157.2571 606428.1811 51947.97821 47221.03059 43560.9814 53309.76274 47026.50716 50534.84696
D-Glucose 1,6-bisphosphate 46599.28794 25085.60039 25337.78805 41880.82229 24762.73392 21525.59669 29555.69604 31122.03742 34871.66173 13838.67763 20967.3266 21065.5072 296760.9844 93856.47442 106265.8294 87701.18736 179419.8535 94657.58971 154598.0659 168891.599 98116.16274 169793.8109 166974.2182 98618.86164
D-Carnitinyl-CoA 32376.94219 26521.51304 37348.78994 37192.9605 36795.09807 38459.8205 22901.90052 20381.41458 20764.45598 22574.18365 24044.53794 22585.06002 736.1148804 1971.818964 1421.172508 780.5545736 2338.807807 1770.321693 784.9103823 714.7250895 2530.517586 621.0953307 985.743953 741.6940906
D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine 407.1124285 338.3930479 850.730471 416.1376447 72.85419524 166.4051897 1388.826655 1058.541363 40.28678595 893.7833769 1117.816348 797.6109216 2459.431278 3124.648185 2277.47564 2071.533199 2788.963861 2171.084596 23668.68813 23057.31315 26687.8339 22547.38248 23631.2756 23870.2246
Cysteylglycyllysine 86.43378001 377.6547882 230.3153681 181.2076133 357.3210955 296.8168705 386.1280746 90.64868456 243.4769358 309.9698961 63.24375497 460.7100257 1158.172273 1131.739014 1104.696766 1379.321396 122.6246306 862.585589 2020.121801 2973.030917 3616.468363 3675.355955 2509.565231 3918.994084
Cysteylasparagylarginine 751.436701 1006.25037 1619.596864 654.0627491 755.5830568 1919.935269 152.8925901 790.0898023 535.2335156 563.8657975 1280.00221 681.7364594 14590.05538 14579.20647 13348.73961 15030.88364 15120.03862 14962.51574 7357.181946 6885.018425 7229.528676 8313.642927 6307.845898 9900.023053
Cysteylalanine 7229.155181 4164.910812 3709.359024 4948.815492 4417.629897 3544.973265 4492.357681 110.7385124 377.9622097 3249.10465 4103.525134 393.9980456 5460.60656 116636.6475 117806.0524 110024.2257 110079.8264 114403.0889 118270.2411 99483.6968 123121.1267 109974.0581 117049.4395 121423.9354
Cysteinyl-histidine 2870.883693 5385.854592 1072.198396 2610.085361 5392.154189 2228.311105 28229.57687 27051.0817 25948.24563 21906.90429 25717.69315 22561.32539 9560.774804 10445.75142 9407.361085 12074.19689 12130.01329 13583.39081 213.1857035 27.05523492 92.56403105 30.56236892 55.23763667 349.2780034
Cysteinyl-glutamate 86769.26019 93738.09497 91064.82781 96681.31506 91417.17653 91364.85743 113767.8383 112808.6864 67936.98227 114436.3096 66090.00495 62329.72481 764.5613627 518.9422986 423.0117756 194.8060262 346.2436927 1125.726007 856.8725658 2202.921739 1065.118205 292.8578653 556.7522066 861.1919384
Cys-Leu-Gln 1700575.286 1477866.969 1719262.597 1976812.847 1536410.384 1740535.027 281709.0471 1541667.481 1351207.829 1276701.207 1501942.894 1667295.75 132.5486116 153.9773301 72.27991358 50546.17423 53999.46075 82.08872764 32281.4887 31396.6789 29083.66624 32217.79542 26455.53986 44243.03991
Cyfluthrin 685.6093114 701.9802007 860.7226639 434.1246172 223.9200723 1132.413381 204.0055199 96.36355891 203.5562771 225.2406872 291.0403357 240.5025218 165.2426835 62.24707796 57.34493121 235.7536571 49.71338761 183.5360957 220.5076692 67.84682996 106.5291967 34.8133583 25.93584828 49.18275891
Cyclo(Gly-L-Asp-L-Leu-L-Val-L-Thr-L-Tyr-L-Phe-) 272796.3059 272971.2982 262838.2376 268467.2485 253227.5569 263415.7063 290678.5002 294804.675 287627.1906 292140.0909 306919.2548 291489.4461 217161.0367 656.9480394 221848.3887 231270.9891 511.420275 382.5260088 165987.9885 161054.8532 171152.771 88.70211817 165365.351 252.9392932
Cyanidin-3-xyloglucoside 6063.542264 6566.41182 5764.586424 5758.875605 5401.867173 5782.057165 13926.03245 12538.42063 12577.45616 12884.41806 12450.06506 13119.46605 12.0868354 9.715924735 5.888445774 43.69848258 15.34093927 526.6092578 236.6516171 12.36569539 7.066125488 88.2283712 12.56202022 33.28514743
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside 102.1562968 494.5860284 336.2055285 341.5865671 60.41578748 71.04451759 504.9459085 131.6760399 103.6292719 100.8653502 411.1022261 485.9975002 3125.016462 2883.079746 2033.736443 1275.612429 1320.275943 1895.860452 10231.01972 9785.746669 10095.9314 10082.94127 9699.992647 11197.15158
Cyananin 11754.9088 14580.83348 11481.35418 15310.88944 11472.78004 12693.56835 75525.09698 77935.91558 63061.85404 52293.83194 83910.88406 48464.31568 57967.987 65737.80277 67946.37755 75412.29302 83667.16956 83968.54402 10833.35614 11795.81796 9828.572542 12255.04763 11415.36746 11538.27494
Cuscuta propenamide 2 82.64246643 77.59460909 119.6356251 87.69050624 175.4814363 66.57848461 67.38479085 135.3209215 31.01218048 22.20642139 65.08785358 19.3985786 1846.187025 1737.968644 1931.880439 1949.81179 1757.611346 2043.116779 3459.974288 3646.49824 4477.606834 5208.089385 4305.024358 4148.120214
Curcumin dimer 3 10428.42416 12820.51274 16689.81136 13907.69968 15972.81931 15601.63811 16874.60105 17615.13921 15593.02895 17672.24422 11166.81387 13816.39553 873.063073 100.7280495 42.88419898 914.3744556 59.73864125 14.56068239 54.05399523 58.44212636 57.84388708 108.2077755 63.02813142 9.973078888
Cryptolepine 99298.02414 78911.60179 11429.56853 53637.70523 25943.63072 50738.55091 40589.55476 43947.41278 40468.50524 39366.76697 53187.85036 52523.78625 1760.193467 1316.341794 708.190001 517.7536059 481.3364428 502.8753338 664.912019 445.7967371 345.061236 457.7196138 255.2753039 282.9805809
Crocusatin H 77.55437745 21.50144843 33.87168275 31.28078351 39.92670012 28.81966223 16.0936693 334.6328301 19.04041066 175.8747849 332.2424022 302.2943355 2504.418697 2216.980127 2383.136746 2264.06729 2296.428747 2259.139549 24738.7984 23121.92395 25695.14998 23997.96123 23470.08607 24156.96589
Crenatoside 187.437942 261.6260109 740.2313935 321.0408281 485.5529093 291.0365573 466.460552 137.5419908 705.5119778 172.0098519 907.9686466 127.0369441 32215.49523 30976.19476 31132.79885 32639.04114 30792.8671 27904.28393 52536.04057 48088.63619 52141.88759 51582.74384 50998.95944 55292.26766
Crassirhizomoside B 543.7345399 39.71653272 273.0426167 109.139044 48.32242275 361.2600852 194.4939593 143.6141972 48.93695065 155.9322832 382.2545591 148.2763194 2797.316907 669.9562549 3400.672016 793.3488802 925.9881494 918.4566779 22948.55145 17810.03705 19867.72372 17171.58647 14819.13355 21218.16315
Cosmosiin hexaacetate 6877.909115 6592.714899 5956.769603 8003.3326 7156.59255 7277.568843 4763.695699 6649.859677 5456.678143 6066.49339 6334.185456 5821.946106 10221.40428 12503.08314 9433.464792 17459.24988 13864.08802 15050.79725 31182.72288 27863.84573 25989.21055 31562.19119 28014.32872 47266.85253
Coproheme III 193579.6891 113424.4885 204291.6475 186736.985 210777.1218 188005.5648 238290.1437 234164.75 213650.5861 239588.0858 250078.5636 221022.0688 31608.57443 35587.64787 36948.85451 37063.04061 23362.58709 30035.23738 7975.849233 1862.341329 5232.692691 2043.646068 493.5122846 3070.934433
Confertifoline 7538.638156 7012.336414 6731.073427 7276.64651 7706.460502 7301.782352 7544.981145 7943.57086 10319.74318 8347.915078 8628.993271 8421.418304 11740.14887 11218.25528 11570.53766 12214.34833 11216.34327 11706.67669 10199.88993 11961.60198 12598.24217 12291.07986 12591.68966 12022.23693
Coelenterazine disulfonate dioxetanone 1848.830421 2311.782468 1687.609659 774.5080515 1365.211235 1661.983423 845.3253254 993.6752626 1618.748046 941.2692553 1608.200016 1991.842151 1460.150107 3626.161077 2273.564165 2510.874648 3304.854619 3078.248528 1573.009298 3231.587017 2373.28549 1994.95355 3048.475911 3345.070407
Coelenterazine 3537.639372 3733.259403 1400.802585 2831.160548 1121.255494 6058.853585 4480.153493 1557.084003 3660.671288 3060.157218 3901.056685 2690.199511 691.3908454 425.9950271 1070.250285 623.3684377 618.4936399 526.7937471 786.9874922 387.1920961 264.4314883 1289.881502 219.3085659 1011.664466
Cobyrinate 1349.716509 162.5537588 301.9294277 1208.720138 111.9814269 178.2059468 1045.984653 122.8174413 887.7148254 314.5675475 314.8403555 147.5020575 36760.28198 50039.62384 29661.34497 27203.89731 41113.9273 53234.47936 9921.735084 14951.03512 32627.324 20069.93451 6088.348192 18737.63621
Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B 33.74361848 231.9627993 97.72994458 64.27366131 185.5145243 618.6537424 109.3892538 168.8276807 74.10812686 144.6908765 97.46245692 147.400045 765.8857234 258.2407238 562.7368892 795.0376919 924.8433663 262.602212 3119.32832 4534.524061 4357.14749 3924.04436 3177.788763 4625.35265
Cmp-kdn 2906.510476 1968.72114 2194.923228 1209.878368 1963.525041 2566.754599 954.7291967 1390.770291 742.7132785 1207.047464 1494.624791 1502.008991 22.25936967 12.82557887 154.9758855 251.0687797 206.082756 70.15183665 57.326302 73.48254087 190.4662353 20.29629793 162.1654352 130.3933664
Clozapine glucuronide 1551.035761 1577.82009 1660.124559 1897.178863 1540.406339 1666.413848 35.83637838 29.99106013 146.6734225 42.21284457 35.50089677 40.84251697 3.076483635 13.5646542 45.01074829 63.46744107 42.27394003 65.57860059 30.51136188 1.566208074 6.693717152 2.573052999 28.94611539 4.474877369
Cloquintocet-mexyl 1311.165551 1076.748479 1083.929828 2231.679191 915.5235494 151.6059932 2402.086951 1688.483955 1535.705138 2386.481621 1665.949893 1668.397401 11058.79757 14713.66934 17748.68003 14773.9595 17499.14138 12192.08736 33889.29713 27422.50734 18772.93803 25072.514 20861.77161 27399.76512
Clopyralid 1984.062454 3965.330614 3718.320664 4240.282037 3377.036838 2764.702106 3079.49001 3924.07284 3996.464545 4481.496537 3377.954674 3930.934941 2343.786505 1152.047693 1551.969941 1180.208972 972.6465199 854.0687205 970.137228 1109.730856 946.6847634 1128.523462 734.5305803 1062.206607
Clopidol 8177.535937 8329.102148 6821.211843 7680.278098 8094.374869 13474.3001 5274.141338 5372.233716 7402.368721 6570.233583 5678.07444 5797.358339 81.50344376 83.91096625 348.9446636 56.49646749 169.6741119 74.00124836 137.9440192 16.11535747 285.307424 66.5919537 150.1328329 221.4478363
Clopidogrel Acyl-beta-D-glucuronide 288.7145959 196.2137596 167.5071647 475.5843792 188.9167042 164.9682895 204.2501275 148.5614655 539.1189892 284.9782876 241.9961651 534.9163882 1587.925385 1360.258539 1902.194786 2990.958405 2751.91175 571.3559571 726.7694096 1167.622404 642.9887936 315.1878015 978.7328465 1237.859165
Citbismine F 2152.860948 2104.97542 2429.99751 2125.974671 60.34181087 3513.308941 1981.197449 2377.795135 1685.176663 2461.672409 1600.39589 2563.287551 76796.28619 74279.34001 71605.92832 74980.71944 72390.27275 76186.08702 27907.46228 27283.7339 33868.26409 27793.42866 31262.62968 30161.8895
Cirsiliol 9648.255894 9408.314668 9717.711671 9215.102581 9124.301316 9377.776176 581.9703392 1386.589935 586.1352657 905.2780353 752.0568694 375.2560224 17393.95237 15331.48654 12737.94373 15862.95488 21421.43283 19248.74827 8850.008794 8958.417881 8956.341595 16424.28871 8738.501113 9884.805422
Cirrhopetalanthin 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 16195.13596 15824.11712 18140.5929 15364.04422 10593.72977 12257.51605 57511.199 56009.54725 57244.42176 55455.28795 53496.46864 49540.39527
Ciprofibrate 684576.1686 684674.599 685981.8544 646029.7915 676593.7154 663116.0635 625524.9021 619378.6272 608753.5277 579358.4796 588379.3335 604464.7492 134331.0898 136578.6816 130925.191 122897.1903 131414.5639 121717.6164 206849.5133 207793.8399 216736.1278 213909.0346 211914.8143 219237.6974
Cinnatriacetin A 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 5840.828306 6125.075323 4095.169191 4489.738921 5773.094382 7555.943938 3274.460666 975.1814911 2812.11205 2437.633793 4496.241873 3580.273538
Cinnamic acid, 4-hydroxy-3-methoxy-, (5-hydroxy-2-hydroxymethyl-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-(6-methyl-3,4,5-trihydroxytetrahydropyran-2-yloxy)tetrahydropyran-3-yl) ester 33223.33655 34888.98078 33346.20262 34147.89963 32164.1334 31842.10613 43496.38514 42453.34482 40030.14473 38631.65248 36462.45917 34602.46541 17800.05176 17057.54658 19831.05643 17592.76754 19756.30472 19357.54967 142.4084904 70.78450204 292.5111205 707.148556 646.4378699 576.274822
Cinchonain Id 7-glucoside 76809.48192 77884.06398 77631.39125 74507.31846 72788.17846 77134.32894 54180.70836 58565.63533 49562.53848 55507.55061 54064.20307 52744.55086 452481.5256 459655.512 439973.9665 463096.6585 508656.9722 467393.3899 121256.5928 118252.0964 125757.2752 126581.5536 122126.4269 132853.6593
Chrysoeriol-7-O-(6''-feruloyl)glucoside 6252.052799 13405.64996 6566.651443 8068.627942 6292.355073 4220.946917 15372.25311 11539.29008 3773.182354 5945.540466 31048.82376 10198.86342 371906.0679 348284.4423 355447.8368 386281.2743 361676.6833 352125.65 273070.1809 256521.2153 267323.9103 276089.8434 256695.2876 295116.0009
Chrysoeriol-6-C-glucoside-4'-O-(6''-sinapoyl)glucoside 2446.248768 2236.492113 863.27241 3833.328859 1279.18278 2480.380143 3065.227749 2355.844785 4564.331338 4555.717303 3633.261409 3138.781529 7955.229355 5741.064551 6124.394739 5007.294903 3221.366124 6496.146563 20049.78504 11774.6383 8921.098578 10664.96838 14849.80057 18958.23211
Chromopyrrolate 111.2812452 147.9484509 140.6599495 69.46628718 139.1019948 54.80036208 139.2897646 304.2843 31.67362911 84.85410801 46.54556732 68.16576005 633.3616328 544.6966924 823.9712321 714.5007123 814.3278494 946.3470412 257.4094595 168.4724889 310.0184061 93.9169614 68.51691712 128.6684899
Chlorpropham 532052.4548 528830.691 520450.8003 587278.4932 474325.2501 556809.1713 938595.1657 914642.2251 850922.1285 829210.2187 1001465.28 1003604.648 100021.704 208163.1219 307120.4263 142128.3809 345150.8479 67349.43857 185994.0212 171157.5072 186012.0987 205688.3473 178103.2109 202513.5084
Chloroxuron 35819.6085 36037.87103 35733.22545 35208.42475 33621.36603 35312.1151 6710.468192 26584.0259 28224.99154 28503.21562 26964.68006 26438.29642 2915.897434 2858.859743 1691.036428 1076.973264 985.6027601 2312.868239 463.442455 631.1715925 5756.440239 5630.891923 5732.525763 5065.120427
Chlorflurenol-methyl 2952.755456 1303.159344 4138.367664 3847.787137 2739.03944 2975.672173 5742.643654 4792.245692 4945.219923 4436.632652 4895.927714 4444.133082 496.1108333 733.7190446 617.2825476 544.5612033 475.9879297 830.0667371 52.08934066 180.9736876 258.3208997 165.0505821 232.8322515 423.9656467
Chlorazol black E 705.3452979 469.8762806 524.8092361 325.067942 699.5549616 583.1249776 557.2863007 404.1240809 625.2079268 585.316326 186.3271878 499.7418269 2683.311716 3303.833195 3105.888754 2739.639759 3242.898204 2981.133553 161.4731079 178.9825729 280.1616727 263.9218605 229.3959269 284.0033307
Cetirizine N-oxide 1653.39925 1391.942445 1204.868471 1763.075435 2102.4699 1346.013582 2866.443752 2422.346891 2451.661329 2873.394024 2260.409787 2783.951007 635.3706195 1110.785236 398.4933211 615.7563908 555.5573768 652.1801764 406.2610823 450.7740055 56.35634393 278.5856741 573.4108756 268.2536754
Cellopentaose 1157.239541 730.170129 555.5721508 128.6192211 726.8933438 700.1949249 1640.542954 2018.865018 2876.71642 1688.503838 1955.172613 1367.243546 84932.74267 69071.48314 85390.95999 62567.26317 85121.15565 77376.09948 154140.208 169174.8338 177001.7769 195270.1033 147892.6127 176927.4988
Celephthalide C 18340.16439 20223.13393 28547.18345 16884.85837 16132.92006 15601.078 14686.77416 22550.51697 11089.85309 11542.50813 10145.433 10241.37764 7515.966102 7117.968783 8235.57988 5755.271432 6892.266631 6238.319064 12403.6756 13511.33711 9014.679355 10075.99186 9489.277998 11733.90263
Caylin-2 2225.824057 601.1450348 386.8650498 723.9667296 288.9218412 647.0494049 516.6925855 1270.267752 584.4971909 989.0585688 798.7758731 1590.969862 35923.81336 33356.39755 76727.67098 30015.34592 34859.87089 31674.54375 68952.34721 66906.75755 68472.53119 78785.02354 58138.74347 75652.9778
Caspase-9 Substrates 1,chromogenic 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 153.455356 1124.064254 67360.45391 70221.46473 232.9997962 262.4997408 3992.417914 2966.191488 3535.006734 4109.113528 2626.47001 4277.6911
Caspase-3 Precursor Protease Substrates 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 45.89966092 312.4026497 351.9414444 70221.46473 701.0958172 354.9120462 1921.034179 659.972126 2191.549945 1767.130704 3875.032469 2310.949761
Carvacrol 2-O-beta-glucopyranosyl(1-2)-beta-glucopyranoside 1412.12712 903.6392282 7129.80998 1036.193125 6363.014991 2378.591193 1302.956923 823.5942575 1204.328563 1687.264632 1662.701752 2012.754153 26726.86696 21737.65816 25645.64234 25998.15237 21445.88147 23345.34907 18665.73764 32336.51254 33971.86477 30492.35378 31208.78848 33674.40918
Carbobenzyloxy-L-alanyl-L-norleucine methyl ester 15885.84394 17436.38225 28563.52955 18047.65533 23873.16111 16558.16651 17012.33398 25937.92591 15680.2146 15813.9077 17525.98695 22377.20946 4481.460946 4691.114909 4268.716129 4344.782653 4384.74162 4531.599476 5286.972748 5671.9129 6087.744978 5789.11413 5674.378199 7729.382985
Cannabipiperidiethanone 93.74880725 41.48202227 185.8479329 565.8768669 15.48663226 151.4696303 357.1596022 268.3694128 170.7133724 337.6888603 14.51865997 238.6704525 8163.825202 8087.432776 7509.67286 8427.319566 8683.150662 6604.559674 6112.190523 6273.743219 6514.45516 6141.275346 6606.850077 6253.604068
Cannabinol 532.9181342 244.121206 420.7449311 1986.339044 1333.66651 81.04814225 299.0487801 416.717892 102.0425069 282.0828351 531.4514246 401.5823914 42965.04268 41139.54765 40723.94479 43013.06444 41239.25583 41557.32983 62255.39553 41442.29266 46222.54616 43128.93277 39786.67459 43396.80382
Calicheamicin T0 365.7757231 359.3544313 131.6253415 192.6122368 264.310938 40.41835952 207.6912289 563.2430277 447.0500981 1419.372292 872.7545427 220.8125696 14542.4257 14835.57342 15103.79181 14562.52013 13015.70444 14268.75731 1549.369427 1779.432718 771.4484459 1436.405142 562.9386955 1811.907178
Calcium;trisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate 1409.171037 2268.723346 1728.490562 1552.052652 2253.345523 1508.798984 2514.965454 2536.235217 2700.288927 3853.648521 4272.289267 3693.967892 87.19292852 107.0909688 25.23184703 62.07853703 66.78678821 116.1782449 310.7655806 362.5051541 374.2593701 303.8994119 220.0595841 164.6239706
CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate 2783.675608 1782.336326 6000.833135 5689.598999 1744.835519 5837.935106 2572.661229 10089.82069 9610.908762 9826.614075 7827.894638 6149.0548 212.5575491 850.2561045 84.77874485 1115.940915 812.8755283 497.8178554 51.23321784 572.1900206 412.6922927 996.0137339 1181.823007 171.7536797
CMP-5'-phosphonoformate(3-) 26.62987159 27.61602676 293.4863782 195.5305497 100.1090357 298.5021162 207.5791686 237.8164699 73.23139919 150.9713372 414.3080024 220.2498506 2114.05845 1460.863542 1677.177825 1343.442131 1287.59253 911.2054249 1771.029162 1616.843637 1756.554019 1824.3277 1550.344817 1791.107277
CMP-5'-3-(N-acetyl-N-hydroxy)aminopropylphosphonate 4432.97254 4487.377681 3851.844658 3309.808509 5424.729154 4483.772354 3010.308585 3594.061293 3814.029636 3267.628416 521.419329 5201.580497 1243.524322 3434.469455 2897.251617 707.6929876 4046.452925 1493.40459 471.3974113 953.8701607 1213.035263 1245.817972 922.7889683 457.1062407
CID 78055824 4752.340029 3611.055975 4769.044177 5054.771898 2605.70181 4172.072672 2345.166236 2101.273673 3362.682327 3844.772155 2185.480189 1460.414431 157.702435 107.7166621 234.5618481 566.4208776 509.9666482 33.11016005 166.9483539 102.0173591 9.675045179 92.44993903 106.425489 186.834977
CID 73093432 1155.528388 608.233049 3587.187043 865.502158 1031.712352 2825.171142 5809.728132 4632.716029 5052.410668 1633.176339 5963.427056 4082.005019 55274.77636 54604.39743 48135.76867 48913.35327 42627.65497 56722.48568 8933.038166 8108.141599 8715.079774 10160.63162 10779.60058 8991.407704
CID 72682693 1052.745167 1353.621081 989.070817 583.1774637 341.0158891 48.619196 1331.665699 816.3623857 539.9026951 2791.549296 459.3430346 2170.227283 1973.27203 1635.364893 305.345247 691.3684499 902.4094578 2171.397394 1896.770059 6684.154878 3425.688699 4385.196647 6197.632902 2904.156378
CID 317610 296.5309545 126.6651594 2256.436031 1270.57162 3026.606718 247.5975471 2802.324818 3325.574391 3573.043266 2801.198428 2801.935269 2839.747745 62505.40012 59178.59704 60465.29275 61712.80211 57909.9449 60172.62292 34431.74848 32819.4564 28667.32028 33945.52095 32725.99402 33141.33159
CID 25079954 5949.95742 6276.98584 6437.73149 6038.846964 5318.481958 5425.386308 15336.79084 14633.6625 16867.92143 13849.0533 13583.52881 12877.93261 36552.6197 22671.33193 37048.09789 11594.69315 12645.67059 10074.59307 1930.197025 2961.297305 3075.099046 3438.189172 2427.902445 4168.413732
CID 155881 327.3571653 115.5462371 15.88484125 258.1107943 91.24716075 670.8516229 13.51239156 1096.243982 185.4015634 151.3688309 801.9821168 615.5028826 1115.655946 264.6205683 270.4193775 424.4125252 1070.649958 1179.001913 12189.28528 13234.78166 11629.19077 15335.56856 11254.09435 13497.36597
CID 14586214 138894.6263 193290.7175 120185.6262 120653.5079 121196.3431 112152.3689 84816.66874 90235.69359 94068.20417 83535.25932 81998.78007 75518.67652 14606.18457 19281.52185 21196.2177 12556.34703 10991.77682 8152.252725 13550.79008 36948.70174 40169.07998 11756.45572 35669.82711 34520.40965
CID 14284670 435249.9484 408039.2875 395213.6364 398062.8545 350558.6803 356649.0783 339289.1327 332861.6861 356569.9967 319569.8454 356047.3141 329031.2962 74.71916517 20984.96046 21640.60932 367.2777429 235.5262857 16465.18989 8032.367481 166.2996602 288.3195987 8362.834573 153.4086079 10126.02506
CID 13940613 9519.391104 6950.217502 7239.81112 8448.577288 6097.575508 8377.31031 5458.836821 6494.402306 8224.729165 9381.922239 7293.738786 6588.456186 21.74009708 426.8672403 525.2455656 74.24776223 174.6573465 209.8762525 251.4850117 264.1966191 36.11059466 23.35210141 362.5791951 178.7104688
CID 131838408 462455.3273 467423.5691 462442.3466 438538.5098 440417.4843 415665.4996 407412.9174 390162.0947 422047.8349 396933.1324 410679.2123 378223.4989 125627.6241 125149.7192 110480.8671 125676.9969 106719.8666 115566.7294 88475.80827 91297.53282 93657.50179 95103.0004 93612.54118 89240.22833
CID 131835430 643.0412393 1785.78545 1343.054561 1623.382179 1146.27036 1106.31684 205.7820523 519.3098429 636.8639216 198.4925826 215.1449723 409.230078 611.7002692 516.3798209 554.7891332 493.8640268 402.1296427 496.04606 307.1173023 194.7083357 298.7003661 174.8374771 153.1142748 22.03294956
CID 131751332 3759.398087 7897.189545 4484.571545 1449.56631 4410.665172 5222.906287 6298.925428 7192.708545 9432.05255 9613.231134 8359.131931 8019.812369 1193.790703 7867.895317 341.950646 899.0850717 1785.109388 2141.615335 600.1034965 716.6663497 978.7493566 884.8351685 526.913162 1029.092607
CID 101635263 14151.96885 14699.18736 16379.23367 14741.10516 14745.41685 14225.63847 12051.02789 11481.78503 11376.34388 12666.00378 13456.5445 12648.59734 17828.85275 17017.48329 16539.26347 16160.27674 16746.02062 16282.77288 14400.34674 14303.30833 14482.62039 14385.98346 14268.10085 14310.74461
CDP-4-dehydro-6-deoxy-alpha-D-glucose 1134.1626 1021.593055 933.2255485 797.4363076 1181.960692 315.8458719 399.9964586 503.6357634 357.826923 536.4212557 167.4011708 251.778083 7507.393988 7047.201961 5839.932967 5022.350588 1618.282084 4961.195802 300.2059804 215.8641942 342.1457258 358.7692604 243.1865319 589.4493618
C35H36F3N3O5 1264.164462 167.8136811 1339.967034 1120.62179 1427.088231 1029.953021 1900.299979 1223.146762 1419.384217 1339.480981 1866.671369 332.2870066 15342.05584 14037.05873 15050.65066 16802.83417 17730.097 14805.3222 48512.76571 45035.52279 49283.70241 45571.37467 45867.08016 47224.81496
C26:1 GlcCer 687406.278 968935.1374 1383855.235 1271303.327 299080.3454 1045347.132 1068290.094 1094779.57 241706.0202 244118.6265 1032083.058 198961.298 2305.820979 1409.527424 376.6585051 20575.92287 319.2011849 235.5383325 70.55852266 209.6839596 7855.403907 29.56894996 10607.33502 7851.113633
C-1027 Chromophore 31385.94018 30129.38723 33871.53351 30868.16766 28330.04947 28606.04995 46112.85085 38826.18388 43761.42883 40509.02587 38453.18781 35958.68506 1047.969733 807.9761323 717.718348 603.1415252 296.7348527 1573.944479 544.3522752 90.22915802 1854.119563 127.2888358 1205.917086 404.8228419
Bulleyaconitine A 1455.573547 1696.897778 1048.964186 864.4578341 756.0002443 1224.647909 5740.865462 5990.501827 7019.63284 6431.105108 6379.227817 6737.015498 8078.591403 9012.544423 8942.863269 8505.075608 8168.958618 9915.919819 10229.26452 10703.12761 11239.04324 11194.25164 9823.959579 11104.58457
Bromosporine 195733.7022 198038.8492 197997.5138 199050.0248 185344.1025 200807.3535 211813.0889 224235.5532 72870.65461 202787.3479 213986.3932 85054.1761 69.04333413 34374.89724 31695.689 38345.15331 32977.81311 37002.26118 13879.02295 13051.88034 21.39280841 15646.47063 10751.56456 16475.17893
Brevifolincarboxylic acid 9-sulfate 3496.500314 2109.469714 1408.734937 3479.975471 5160.135511 4571.129945 5877.790803 5176.274552 5299.247378 5839.051785 8047.154585 18900.73284 102096.0131 83287.37642 153597.509 79069.42316 63082.08065 73922.90279 84265.5576 72596.96518 65474.17292 76430.82222 71531.93736 69690.43158
Boldenone sulfate 470.1162513 3888.423107 3653.333314 4369.283146 3464.051359 809.5166729 16861.40605 19860.06385 19100.56409 19122.53323 28692.60979 15731.47292 5478.094634 6343.263451 6193.548787 5603.495519 5078.280941 7247.755715 1120.227855 1638.450254 242.9072774 1058.865896 4064.033014 1187.312683
Blood Group H Type 2 Core 3-Thr 365.9051667 162.5592158 196.8381335 353.3241719 381.7622052 316.3097923 717.1841864 324.2915253 438.1955087 342.3538697 414.8183373 377.3445975 5939.337822 4894.995826 4472.753227 7185.284287 5353.589842 8948.194359 5220.867939 5319.028703 4849.87403 4155.79077 6115.746872 6851.904874
Blestrianol C 61.62268706 60.3687651 169.9535709 101.3717575 71.50142542 28.22413051 128.2452343 205.3757147 39.20011069 13.46073283 245.9976105 57.23194922 904.5064379 1265.30285 288.8256459 1591.997289 960.1879366 1540.41483 7618.80811 4888.138372 6027.427039 5546.326073 6119.071405 5532.209825
Bisosthenon B 1288.94325 602.1996977 1364.950318 1159.006516 880.0126035 500.9706623 402.2909381 369.2985015 384.5499909 423.5423546 169.735642 104.6300278 45.00518536 157.5860213 216.1056099 179.7467729 135.0293048 165.7995079 77.72335528 85.09532825 69.96478071 121.4545879 68.78161356 72.52454972
Bisindolylmaleimide IV 8808.083007 11663.74815 8769.996983 12888.32891 115.3839675 10019.72511 9432.042407 10573.33768 11013.82222 9047.062434 10542.31753 11099.60609 77721.67262 74032.42465 67342.60939 73326.06102 79534.5605 70119.40976 62226.63799 60385.03045 70609.94275 66190.51925 70999.16891 61854.09314
Bis-gamma-glutamylcysteinylbis-beta-alanine 180.7567834 772.2865899 198.6272203 67.58093587 160.8296907 102.236816 427.3055493 337.21554 230.1420518 292.304567 228.9427447 102.7775243 2192.498863 3099.458075 1960.050232 3440.285181 1842.933043 2231.814308 2397.471775 1540.091229 1797.989443 3210.509082 4139.172059 1889.722056
Bis-(5-acetyl-8-hydroxyquinolinium)sulfate 3414.086813 7443.732392 1950.133778 4647.450247 2083.390039 5182.866832 12579.84179 8389.784907 2134.461302 10649.47389 10412.28924 1995.874897 626.0097581 36.60312311 63.7780622 541.3571855 1157.459864 599.2510182 682.7388024 924.6488484 638.6058462 777.8406131 275.1897646 1062.792128
Bis(glutathionyl)spermine 389.7380787 136.1964715 168.7745751 264.1630097 214.2649085 584.9099603 131.5635854 923.3300898 358.7079495 163.6134366 446.7964382 354.2595082 2782.828874 2565.767485 1537.548456 1415.152843 2311.406243 2606.768297 5848.113922 7599.443967 4710.404831 5587.556206 7855.241703 6425.518206
Bis(beta-glucosyluronate)bilirubin 419.3123014 217.6763343 179.4488117 221.9815634 150.6267582 269.3067139 32.07852209 72.17649421 271.8765539 426.2745626 244.7084714 144.4794564 2099.072612 962.7371233 862.5559843 1255.385373 1135.145583 1100.345469 2064.949397 1082.261527 2917.945995 1394.908953 1089.780777 2752.67345
Bis(7-hydroxyheptyl) hexanedioate 868.6030084 2059.250226 732.5467304 1264.119879 857.726087 1291.579244 1967.948239 2189.024655 3285.340265 2228.116571 2442.280989 2108.266452 4437.432635 3388.096769 4390.738665 4104.611152 6878.111095 4520.158706 3425.185649 4210.323268 4708.363914 4507.149169 4893.344647 4420.429421
Bis(4-hydroxyphenyl)methanol 367637.4142 537572.1299 492073.1422 390901.9027 517209.3573 486290.6732 400602.1759 366330.9963 347232.3105 1381244.344 452530.1379 465177.7062 74183.60381 48195.48773 12990.1986 6029.286568 7716.587588 4042.515127 7992.278329 7286.613908 7443.59421 5984.360549 3907.84498 4127.701203
Bis(4-cyanophenyl)methanol 87558.0772 93373.86089 88938.49849 86135.96414 87327.44393 88029.81001 95738.16107 95530.0894 94070.65818 101958.1473 99356.25173 98776.53359 53752.65668 53607.89465 53222.88539 49543.03387 51493.87174 52400.12942 34304.31356 35200.61108 35041.42445 36973.70599 37360.78179 37440.18212
Bis(4-chlorophenyl)acetic acid 121716.5848 111715.9679 108494.4644 108351.9745 106023.8287 116673.9422 122375.003 123950.2896 123053.9605 121930.1105 120136.0857 124181.9955 29431.75056 29558.45399 25323.77903 28067.53837 21652.47917 24150.35174 7336.149627 5714.254222 6961.508596 6629.525537 7137.013167 2090.780649
Binimetinib 3003.656087 4901.125857 807.2444354 1230.600687 4132.68497 2029.162217 663.5904055 127.2606753 1354.868848 275.0541536 693.1261956 4244.245356 38212.63602 28428.35029 42281.75378 28311.70692 25889.43471 28182.52296 9688.528676 12557.47307 12877.02871 22345.85004 24041.30275 17163.67656
Betavulgarin glucoside 828.2142308 1083.716577 2066.762465 2592.914915 567.7985063 2330.331572 5479.163384 4269.684783 4267.360674 4670.900127 6043.135841 4326.746033 6966.562673 23736.47174 24183.97471 23771.6818 3061.396015 16764.22868 1198.206707 703.7244744 2014.773674 1915.95496 660.8369701 2036.691653
Beta-Tyrosine 3604.271133 3005.574951 3128.658669 3208.5322 2522.922185 3094.399535 1924.157284 1597.007613 1701.800133 987.2775972 1717.065317 1845.60082 23969.85392 23587.7313 22779.39731 23897.76438 22474.61161 23418.92173 7909.143536 7358.507649 8929.919703 9629.503429 8079.113828 9442.006556
Besifovir 6480.534596 7018.681371 5792.802649 6919.637539 4488.591907 6971.200608 7939.282874 7257.985433 7462.688535 7386.747893 7814.51878 7739.483013 51104.93327 52622.23114 50406.67921 53640.87444 52815.84413 52236.20543 40475.50827 38392.80195 43904.41734 42406.29357 41399.95827 42028.63759
Benzoylsalireposide 1300.506839 148.9669338 331.0835981 1108.015252 525.8330493 381.4134087 323.3743409 4618.291217 8123.378508 6976.108041 1438.548249 2272.04041 11654.4056 12335.45426 13556.59442 12196.34729 12495.6141 12794.38734 12711.8197 15921.96693 15662.41199 15079.32 15790.2481 13379.41404
Benzoyl-beta-D-glucoside 1076.447223 2589.650755 2759.111175 2722.13412 1786.166886 1280.740287 2630.854117 2420.990556 2566.574582 2835.61792 1906.733774 283.2923947 23966.69702 23872.76013 23298.94863 23664.62657 22913.63948 21990.87602 36254.24974 34945.0265 34035.38311 36788.48627 35947.61262 37462.74101
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl- 154435.6065 150079.7039 141859.4088 151447.5721 146273.9963 154761.7163 38666.87053 38383.41528 43794.1806 34758.88488 43361.58779 34255.86713 2933.511795 3008.593663 145.4011998 2298.663527 3084.486405 720.2992849 1464.350877 1137.479398 1201.550471 1578.688669 1478.161789 1570.44165
Benzenamine, 4-(8-chloro-2-methyl-11H-imidazo(1,2-C)(2,3)benzodiazepin-6-yl)- 2808.102282 3641.314549 2264.314498 5386.513239 1503.260727 1872.901912 4342.355773 1275.307302 2378.502557 2769.725482 3678.067668 1810.739877 592.4427935 388.3910608 2114.244957 1236.462523 1428.856633 3505.248564 1223.737543 2807.514868 4391.257696 1863.382984 1486.940485 1254.139527
Bentazone 298325.9681 311949.5476 314752.6354 320055.3701 319883.1852 307446.9961 294334.6129 285109.7282 295565.5534 302200.2065 293622.6767 277211.429 26728.87003 23795.35502 25146.02304 25899.21845 22730.59984 414.8300569 226.4301772 15650.40159 22304.39632 19711.88019 18850.12733 25228.27275
Bartsioside, >=95% (LC/MS-ELSD) 350.5844795 138.1632081 182.4324506 365.950692 97.49467649 130.3102264 123.0571605 205.3769061 136.4552266 210.2501401 252.9196806 166.6139534 1214.342488 277.2342951 591.4315186 1191.44625 1431.003194 495.6813136 2657.031088 3170.642984 3286.292496 3112.056841 2806.397025 3099.40008
Baricitinib phosphate 302965.1624 314561.9504 312404.545 313421.0404 292120.5273 299477.5722 216359.1786 215618.6052 212564.1129 211936.4185 228166.7092 222018.8291 35949.96957 18919.51949 16607.3271 17909.22576 15078.84707 14984.2526 30328.64441 27883.60282 36332.97998 32036.58059 34831.19804 32228.23419
Barbital 137088.5753 137147.1785 136722.1793 137748.7218 140541.4833 139426.6337 114207.4413 106434.5307 116785.329 116587.156 113260.0559 113856.0579 168847.8136 165463.2143 167208.5052 168535.8149 161874.1986 158875.8165 172455.4345 173818.7814 179999.1719 174302.8233 181274.1698 173213.4779
Bapta-AM 814.5960585 1632.437536 2933.353488 1552.665092 2214.180542 3042.132742 1901.375353 2342.093386 1989.421674 1188.355342 1650.008151 2421.06015 15787.50386 13065.16746 19245.83882 11249.85506 14545.78367 16288.20734 16977.7331 19048.08517 21608.76779 15291.99772 19036.25912 21642.91845
Baicalein 6-methylether-7-O-beta-galactopyranuronoside 39523.10641 39428.2775 39972.99162 44964.36323 37602.23991 19110.25328 35383.76838 14783.53077 36681.74151 12928.15936 15155.92241 22710.38728 40780.76695 36297.60351 38630.52687 33818.22736 37303.78819 37997.75428 47166.70386 44554.52302 45364.53507 49086.1905 45107.06133 46431.39441
BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE-LACTONE 739086.1606 739562.1093 712109.6371 727360.3091 686070.7002 713673.9382 787537.5105 798716.717 779270.5352 791497.7916 831538.6909 789734.49 736.595634 603233.4836 850.4331693 2062.455655 191.9610686 600297.7213 1707.566805 441.9556415 5851.502094 457103.3131 1765.590162 243.9372808
BL III 307036.8366 318933.9343 318456.2574 341382.5942 310576.5087 327108.9568 281534.3418 299351.9394 277075.7111 273813.0114 302448.705 294916.5699 2081654.185 1844058.804 2005360.296 2094469.472 1974920.055 1903958.193 474205.0522 416271.2423 481191.6103 447219.316 418034.0035 96015.83355
BIX 01294 Trihydrochloride 156845.5001 165480.3531 148058.892 169974.2656 140635.6326 136776.2187 206385.8627 209548.1484 199051.8788 211775.4691 210609.6456 199311.8254 211.2764615 588.6560913 4930.904235 431.2245 1442.551148 1180.109964 516.8435364 1111.907295 1894.652667 841.4381949 823.2979772 1277.104385
Azinphos-methyl 176259.1925 171662.7029 169405.5895 209359.5585 168153.042 166614.0265 143676.2025 178197.8423 173517.9178 142112.1788 157330.2427 150949.6842 43787.68092 45998.39419 46678.25733 49043.80695 51495.98641 42652.58148 29030.74459 30193.6118 30576.48171 31556.18554 29497.70818 25662.83534
Avermectin B2b monosaccharide 670.8186207 997.5918728 527.3945438 658.150239 551.5903942 931.1180648 620.9002671 170.7025462 501.7068298 598.3123248 1137.825443 757.1767795 94.2275411 114.2155297 95.49672171 292.3595638 128.3335261 44.73447493 5886.850332 5146.963705 5489.833223 5393.996044 4941.173723 5281.103455
Avermectin A2b aglycone 740.6380308 1587.539035 965.5816083 426.5560775 796.7273135 961.062863 855.9477901 592.4718556 704.9112073 457.0243985 485.5984591 498.8619605 4653.50546 6040.076143 6698.179236 4493.404907 6409.258275 4862.2776 4515.605955 4572.337856 3839.113417 4003.289818 4381.133952 4468.841614
Austrocolorin A1 206.6877436 74.62609464 217.1636438 502.8469179 52.94166146 355.54992 224.4645453 327.6800081 77.7514246 345.4335959 260.1162745 346.1690851 5938.151714 6717.231414 3337.368365 2330.312142 6834.898428 5059.931061 1124.471148 1424.890135 969.9467205 2054.756236 1125.353019 1935.399397
Atractyloside F 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 2254.188406 2305.790485 1686.136469 3999.622509 4120.577901 3209.853547 10447.81431 10554.02666 7723.008134 7979.601655 9772.853708 8656.386508
Atractyloside D 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 3807.433739 3799.28015 4467.872916 3999.050634 3857.469671 4616.57026 11396.87722 9108.148456 14078.66349 9401.752086 12551.86464 10770.50122
Aspartylmethionyllysine 1822.175687 1818.379877 1011.686275 906.045632 1871.626314 1129.638363 4337.941135 3067.995288 2954.967397 3949.091399 4619.446732 4927.228887 2269.97192 3061.279743 1529.107005 1671.841616 1109.475545 2621.570705 3603.704814 3346.516203 3965.251982 3035.933303 3839.224074 4116.081123
Aspartylmethionine 27086.70877 29363.45015 29559.39527 30419.52577 27018.73142 25657.53337 11801.46208 12895.64999 11620.79957 11130.3896 11415.23625 18207.0621 650.1645024 799.7704635 149.3591449 144.7229049 555.2532838 212.4497115 111.0305493 693.0906968 1077.571518 141.4441933 400.5928388 432.5144351
Aspartylhistidyllysine 81410.82454 81463.25059 78439.34275 80119.21431 75571.13686 78611.64956 86747.7679 87979.14999 85837.15971 87183.9532 45.22954037 86989.77118 611.2984061 560.4487543 268.5666109 69018.66543 259.8574391 406.5003816 2538.53694 2965.753354 2921.436763 3268.314965 3696.817948 2909.134741
Aspartylaspartylarginine 10469755.99 19520798.69 16413983 14221140.65 12759639.66 19472598.79 14418923.42 13233391.43 14496463.23 12696045.21 17936958.19 19051154.46 22023.55008 7964.045045 3541.478817 3747.591184 229.1259818 423.2922838 875.7749735 101.6774277 422.2723506 385.2744574 409.4599798 213.5982632
Aspartylasparagine 1148.43924 988.1548815 821.5362638 1089.369614 488.4822914 1057.178405 57.65100383 359.6834924 367.2161518 322.8334682 124.1784107 477.4335792 3804.098803 4413.893028 3870.386159 4789.31894 4560.300456 5450.422772 1313.339987 1618.93648 2227.47204 1410.517558 1514.061465 1632.535738
Asparagylcysteine 2999.89393 5709.662714 6664.945066 10392.17573 5742.964711 4536.532786 890.7743345 3720.633479 2691.750434 14492.28052 3147.441325 722.1694731 2639.200176 14367.29535 26333.08345 15082.97243 15553.95819 26502.8462 1870.206378 1844.421656 1816.15029 2310.779965 1133.306719 1728.036291
Asparagylasparagylarginine 326.7806362 577.2575354 485.0685188 413.2747473 96.77793967 226.4885699 509.5954325 423.4474619 400.8859138 537.4855702 394.8904156 465.8401607 3470.305737 3819.90608 3273.027202 2891.169354 1127.238865 1863.133095 2046.215592 2254.152831 1697.83969 1861.807824 2628.220958 1585.478674
Asp-TyrMe-OH 23183.23536 21714.62433 22921.90837 23238.3314 19619.32988 20223.89822 29443.95991 28087.29529 31057.69397 30001.66541 31600.20446 27192.90548 48632.68311 43905.29683 30906.68652 30635.77934 47403.90853 28204.06497 47472.93633 40547.39859 38860.19953 51324.00117 41516.69863 35450.27209
Asp-Thr-Tyr-Ala-Val 736.2186081 892.2457878 1632.798933 779.5777444 318.3623874 844.1775458 2062.962732 2219.464817 985.4634574 1186.050057 3880.613277 1145.066016 118.1891109 320.0389208 233.2926023 370.7095751 317.6401948 500.3758229 365.3867112 1122.791962 538.8402627 202.6684983 1389.350464 1265.748008
Asp-Thr-OH 17533.63703 16541.39013 16882.79898 15786.65973 16344.59125 17383.65528 2869.46196 4941.361332 5123.442312 5025.531199 3657.864944 3977.74644 535.9987926 667.2707086 829.2028568 472.7583175 579.0420142 213.6769313 617.1474735 1331.338906 710.6809369 1273.358574 703.2380216 728.4390961
Asp-Ser-Glu-Glu-Glu 18686.07729 14154.77749 20704.77265 16768.62461 13552.44973 17908.61376 14028.87706 13847.36675 16136.53878 17203.61065 15653.32538 14983.5426 7270.062772 4938.58 1816.849492 5091.923608 5008.811011 1971.865424 1766.54028 2875.711549 918.4906722 649.8179858 1102.239238 2188.673083
Asp-Ser-Glu-Asp 20830362.11 19958470.83 19973587.06 19156046.44 19676147.64 19111376.55 13204505.32 13069457.98 12939972.25 11750580.84 14224687.06 12956048.65 1243448.484 1174667.47 1198570.618 1249514.962 1169686.354 1200723.549 798921.1316 378.3204704 757686.5371 748113.8097 139.0682413 101.0821029
Asp-Ser 18903.30438 21395.56292 21299.02052 21467.54297 19997.85071 20110.49445 11928.50054 11512.70061 11656.50471 11520.5351 11919.95151 11028.98399 2485.097955 5580.06134 5985.553545 7621.48296 4775.124641 5782.981046 2670.506349 2586.121879 2666.728613 3576.035983 2180.427298 4616.073968
Asp-Pro-Thr-Lys-Val 6191.315015 7196.821947 6095.054974 13692.41455 7410.263956 1547.58043 3666.31423 3718.692447 11709.62357 4928.126749 9733.84427 2439.417902 19538.68286 10190.05874 18307.06256 21243.24889 8370.289285 9825.139999 145679.7465 139918.6054 153972.5966 144809.4148 134289.5527 141913.2605
Asp-Phe4Cl-OH 924.4043985 527.4780113 897.9538324 399.6251628 376.6146921 356.8907458 3168.407212 1579.309501 712.7163389 3086.134962 1360.019091 3201.496258 42340.38567 37610.50051 38060.1428 44450.19247 38988.03752 36389.00377 150999.9679 137744.5291 149758.6288 138346.7943 135924.2278 150998.9862
Asp-Nap-OH 111425.6849 105529.3359 101273.5086 21432.07674 109032.5437 107131.6364 60605.91889 58398.72636 60075.84138 53009.51007 61824.16678 59417.19228 674127.233 674558.6232 672465.5018 497520.9331 675941.8237 502603.4743 100397.9913 97127.07828 102087.6298 93260.0697 102398.4634 104470.4915
Asp-Met 379162.6852 372853.9583 374015.8287 352886.9105 378340.3787 373310.3628 275050.5132 254625.345 258330.8655 265403.9143 242684.1795 259001.1994 3751.05855 3868.814131 3665.252321 3512.121088 3610.326573 3626.802455 71925.15245 80892.77746 76294.67084 81049.29025 83708.00626 83373.37394
Asp-Lys-Leu-Gly-Glu 17102.35302 18095.76416 17320.8102 14252.26429 18182.45179 17291.72867 19003.72862 19158.78043 19445.91542 18304.7613 16065.14155 18390.2515 648.3520158 2333.269534 1081.720818 831.6262032 855.2504656 989.0156534 1591.293062 3176.637479 4469.206911 2452.006157 2237.199348 3682.459727
Asp-Ile-Tyr-Asp 456.8970012 335.4826302 490.3914669 168.105098 341.2166373 1349.890511 2876.068894 121.0515706 3028.714472 3454.354141 99.9343844 198.595613 41790.57092 41273.12424 35531.54283 44684.87887 42100.16018 40033.30993 7050.48519 4976.420568 9588.189158 7069.783109 8523.291581 8464.707479
Asp-HoPhe-OH 106100.0457 104602.5694 104318.1059 104937.4805 102092.1417 101402.5112 116955.6566 116265.2138 117779.6044 117459.1164 119558.3137 112772.9311 67703.98861 68924.17959 67729.21797 61973.65831 58686.57907 61238.41932 26549.06401 27512.10893 27585.39002 27217.7043 26856.36602 26202.9488
Asp-His-Tyr 11129.20625 11126.01822 11009.69096 14655.68098 15495.50404 12212.67375 12641.59009 9879.547072 8312.228627 10698.58797 11104.6344 17217.15219 1816.87462 2788.46828 3035.27565 3195.87892 1513.104449 2935.322788 650.7222806 1187.291993 2235.085201 848.7528257 843.1868841 1169.090523
Asp-Gly-His-Ser-Thr 193.2174793 229.4455171 118.4434091 77.70213768 24.88401461 168.5772194 44.88873283 182.5715038 295.2787753 42.20516205 136.0085129 313.1552477 579.0400903 322.3914212 417.9036819 663.3271996 543.7851772 975.3555505 2393.731186 2114.99021 2281.867081 2227.636404 1713.825794 2558.595867
Asp-Glu-Thr-Asp 7354.835773 217937.1366 27047.12256 83350.97813 27703.41114 215922.5196 33483.50476 152236.7125 26130.20284 11209.01622 22323.35529 138728.5229 93117.31112 154801.0848 157344.2815 136632.4231 150178.4568 132344.0774 29269.9228 61574.83882 30629.96657 57625.39017 38830.96613 20254.83405
Asp-Gln-Ala-Asp 17792.02089 20708.60378 31685.42173 20426.5672 19464.36868 18111.98088 19280.56195 20955.00296 19161.0367 19832.30354 20110.1861 19200.14098 80.31114375 1115.960886 69.06520352 92.20431493 73.4810662 959.9139737 531.3262008 53.22679472 70.06631222 100.3299764 364.344876 288.5079523
Asp-Asp-Trp 306.2024678 45.46692518 357.669881 102.4069018 107.0808247 446.6409527 371.5488093 178.5882657 423.6145714 104.1062806 185.6895453 38.62932472 3501.959797 3371.364422 3140.295253 1507.951616 929.5189892 1303.696677 8122.705985 8296.874351 8182.96973 8146.373075 7308.396412 8909.572542
Asp-Asp-Asp-Asp-Asp-Asp 216071.2957 195828.1965 169714.4427 291200.9211 287079.5937 270604.4837 172239.1335 184810.5794 184875.9339 460714.8971 174884.1257 154702.4751 4075.280739 1912.976344 701.2235928 2996.243132 905.8711887 2914.989533 1851.724091 1734.755575 1531.262345 167.6592022 276.1266814 48.64475933
Asp-Asp-Asp-Asp-Asp 17557.81443 20592.3189 24125.86268 29433.66199 17841.29092 26759.62293 2212.483788 14595.13682 27307.87161 31808.86703 3251.987189 4537.030462 6044.339109 8689.600749 7460.881074 14866.02846 10759.9456 5756.477795 17811.18277 19881.90792 18749.99783 19859.91226 20110.51107 17741.6397
Asp-Ala-His-Asp 70707.0112 67660.55273 72365.86839 67811.24046 68340.78518 71515.74218 519551.4317 6235.320089 6226.741136 3706.693904 11103.90129 521000.8426 388148.1701 397963.0587 396526.225 413367.9437 385260.9948 396026.288 296682.7519 287865.3901 305914.1541 301558.5799 295569.8654 305231.7172
Asn-TyrMe-OH 3962.566987 2577.561571 5480.829536 4021.949351 4438.910456 2626.936737 4833.673598 6068.054444 3859.807893 4325.690558 2375.588122 2698.373771 58005.10507 115791.1099 23152.94632 113301.622 58906.38906 40941.78824 14953.11376 7415.07197 16438.98495 15042.20291 15677.06855 16668.71198
Asn-Tyr-Asp-Arg 644.8076386 577.7566387 591.3422601 581.3830849 443.8118922 434.5410881 96.44876613 198.7221069 106.6915177 127.5125462 153.15313 71.24505088 14.00392881 11.6691992 8.126946569 2.518707235 0.420511114 5.138119665 3.048696437 10.3770114 8.563550191 3.425414976 10.77999938 11.38045565
Asn-Tyr 20714.97301 18903.48355 15054.84514 19039.84963 16303.19482 14225.11805 13732.08504 13872.96996 9379.67047 10062.05382 7666.809573 10850.30588 6448.215182 5348.581223 2292.873847 1969.792142 2090.526678 2711.002103 717.245797 207.2788922 245.3962006 906.5484323 899.9720443 363.996221
Asn-Trp 11444.23562 9988.021483 12331.43837 12669.93398 12042.19385 11770.39903 2780.861955 3526.740879 3430.292212 4344.419127 5170.03519 2043.424987 1096.591675 1187.276447 1303.165821 1591.701179 959.1169617 1533.499951 597.2247237 430.2461521 754.5455389 423.7972991 965.5896479 527.0143433
Asn-Thr-Gln-Glu 4876.149954 5485.903936 4253.360381 3931.884894 4007.346245 4628.877507 3213.782251 4092.491715 2817.242772 2416.876614 6512.942009 1283.096223 1828.917349 1280.448053 508.8153776 1502.129545 1336.372975 1545.625577 461.6260865 1055.544746 516.3430693 917.3530241 774.3380919 689.0248682
Asn-Pro-Tyr 159.5609364 471.8955096 1480.354523 377.0450543 232.1528033 358.9812351 596.1539494 503.5157402 393.1837511 404.2067228 396.6478773 339.9700749 5726.754903 3402.461141 2516.495303 2069.488054 3198.668933 5365.438776 7599.324724 5962.745359 3568.958031 5347.354955 5519.279452 850.1067709
Asn-Pro-Lys-Ala-Met 741.6080711 662.1635648 366.8807359 249.5265605 691.0696794 564.5361734 2475.873292 2536.559295 1073.798735 2610.418818 2979.079212 2620.980127 399.121 1014.304904 240.0123774 509.661575 1158.178201 218.8851193 209.2716488 136.5782839 412.1355227 282.8214902 198.7591851 419.3451714
Asn-Glu-Thr-Asp-Leu 2521.171812 243.7206705 2046.665198 2623.15333 2313.347363 2541.377887 481.4438202 2283.569236 279.8601217 2464.125665 3113.97068 2517.410382 48553.98017 43366.32819 44768.49405 45414.96721 32545.11126 40554.78415 55479.36694 57331.54638 60919.9432 53900.21002 51230.15743 53880.38589
Asn-Gln-Tyr-Glu 114071.9632 105900.0974 107015.1483 107088.8063 104383.5005 107099.5198 71030.15339 75140.14549 71078.20647 72767.02072 68846.86742 69772.01978 70354.44147 74114.73172 118285.2982 68573.25609 61043.8632 67927.79082 123455.7956 177804.8393 130838.5906 128536.4311 127269.5149 129527.9589
Asn-Cys-Gly 22862.89264 20886.27707 24884.05889 24639.5306 19861.37133 21590.58625 11150.23225 11624.11475 10519.15682 11987.0549 14269.56993 10747.59565 26761.1909 26090.76452 26410.88924 25222.25039 26842.11904 27790.4648 11245.48355 8714.573731 11474.09599 9995.161025 10908.77475 10127.35805
Asn-Asn-Thr 5684.238007 8180.6907 3834.404974 2504.026972 2554.643454 6644.494389 4797.884635 9514.729178 7043.937718 9761.891508 10365.78278 9873.449607 12299.89625 14764.6951 38517.05929 20736.52844 13676.81816 24961.8197 14276.8772 8109.091702 14285.70799 15819.18094 8812.047208 13529.75497
Ascorbate 2-sulfate 21852.64823 22058.45613 20328.09429 21666.34705 19789.8481 21538.84684 13809.32174 14246.7819 13421.87475 16675.71342 14422.36823 14580.23689 28168.39076 29840.12828 30432.5788 30070.18923 27556.8923 27566.41366 17348.60897 18796.98784 18569.41696 19199.54353 17206.99385 17777.29801
Artocommunol CB 660.261044 607.0877917 257.8663518 377.7364482 309.0749333 204.4286483 522.6833672 1377.278108 1078.543053 283.076456 627.0329616 614.9285026 4177.387195 5377.835526 6357.11303 4190.24631 5511.626867 5763.838977 19237.16642 16406.13758 19628.01785 24194.93476 16289.42155 15569.92157
Armillatin 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 7635.57608 8408.745392 8605.45221 6568.321943 3210.452229 6644.033942 8788.68581 35099.09454 16984.72636 17855.44237 17647.93078 13641.33969
Arg-Tyr-Asn-Glu 9406.737682 13794.81743 12868.74135 13619.95998 18145.48477 7701.848776 3333.997737 1689.085295 2253.716383 5162.737356 1433.82205 3725.077265 68069.47005 100186.1665 93561.43871 101509.6737 126331.7068 68260.69598 178871.854 105229.917 165134.3682 110697.2231 144469.1828 169644.6721
Arg-Tyr-Arg 86.21474528 638.7315459 133.7751275 309.2780543 469.3254239 617.6412338 304.3878463 384.9530616 161.2457568 414.9626548 164.9225939 546.8355621 5171.197358 5691.434677 4399.084639 5374.443833 4475.676589 4576.515313 11674.03924 11364.53508 13664.5765 12137.26202 11541.78681 12017.26214
Arg-Gly-Glu-Val-Leu 160.4071658 424.2704397 841.7280319 496.3915125 496.3811439 1276.351622 6812.031753 461.6819732 547.6820897 426.7934234 4171.823854 2793.294515 6237.052211 3611.554699 8382.735794 2799.165112 4518.740157 1942.953144 8891.748657 5897.385042 13803.81669 8275.935719 8046.490338 5251.728915
Arg-Glu-Ala-Phe-Arg 33775727.86 33797478.39 32542919.32 33239864.53 31352957.88 32614405.98 35989919.25 36500795.13 35612126.07 36170883.84 38000743.69 36090321.59 26887465.7 27567354.21 18210.9024 28634468.13 26687467.78 36973.87021 1446173.341 1598575.974 1139715.895 1851461.223 1158930.886 1462479.416
Arg-Gln-Ser-Lys 10814.91841 10888.03439 9925.970521 10088.16881 10439.01061 11145.99469 9560.292805 10376.50582 9716.06375 9406.567568 9206.336424 9521.215533 222175.6535 245128.8126 219032.6232 247773.4492 261048.6362 238386.3312 318257.2843 328694.7278 351253.4791 319191.9168 326058.9273 347457.0453
Arecatannin B1 1608058.527 1613466.477 1566918.967 1737577.737 1601735.361 1474379.783 1766403.954 1557609.276 1600234.916 1645409.733 1619130.982 1676930.159 289239.1788 299617.801 286618.5502 289547.7969 292238.5373 297292.8316 98463.75846 88454.61319 98791.46933 92056.72847 99694.50906 98144.02301
Araliacerebroside 30201.63483 28034.47676 23022.65045 31976.29635 27170.52617 30419.39973 37175.0618 41495.76674 47682.10741 46965.27197 41830.39799 35932.20351 43431.6375 5072.738849 7568.419316 7272.14023 8720.086779 7870.712602 6348.006108 6366.020336 5447.479756 5579.117224 5235.044688 7830.584359
Apocynol B 330.8273798 419.6282509 464.9662978 348.4191064 276.0713825 209.606206 79.75463757 44.80970328 134.5833369 68.95691716 242.0857554 186.8295651 826.6583893 425.929575 677.7124388 847.9343598 478.5604436 965.2210408 10234.26785 10212.22006 9710.848731 9544.666032 8940.567844 9032.643846
Apigenin-8-C-(2''-feruloyl)glucoside 10910.19154 10956.99684 11309.37267 7500.919068 13403.19979 12601.14367 5009.779383 9802.967538 11050.01304 8315.902393 6747.692427 8447.176336 3746.082487 5461.775472 7324.602384 4564.65929 2612.448531 5064.49656 23686.10821 25873.63951 28182.65988 29924.15439 30826.5069 24428.12593
Apigenin-7-O-rutinoside-4'-O-rutinoside 39626.55931 29030.2617 19210.59753 29069.8542 29088.21582 27898.67623 27423.27039 24968.17101 26655.61553 23469.93607 26183.95534 18935.4931 553.4155855 220.1411294 664.9049001 172.5223638 669.9791499 151.4493479 639.0990476 99.34230172 296.6605203 90.67811006 126.9282655 276.5739585
Apigenin 7-glucuronide 102045.5518 80567.03181 80764.46686 76576.10459 73921.80229 85008.28182 42247.24271 43648.94525 44884.21131 41363.00714 40882.44672 39218.08688 2207439.131 2188500.388 2135140.109 2095099.192 2108204.902 2054250.737 2587958.782 2731810.659 2564265.2 2657429.27 2686041.043 2756392.617
Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide 132070.8357 140614.908 141993.7625 146280.9199 137332.6062 128037.055 44277.2757 52768.18131 59959.68815 42892.85313 46392.80416 38359.13219 249.8578078 9953.120177 48.04573163 1554.96651 8721.362997 10607.90114 723.243457 1758.453568 3366.467896 4317.219495 3333.337358 3109.299184
Apafant 5306.175587 5393.052076 6064.99542 5576.993744 4801.631816 6005.592292 5917.187393 6052.724993 4969.152447 4154.979501 5455.266726 5945.663714 111.4380759 126.7882464 105.1393574 82.61081507 120.9504179 169.8985992 202.053585 242.3959699 302.0627059 239.8315033 215.8158086 46.52965849
Antillatoxin B(red color) 34921.85929 32384.39327 34099.26513 35456.05933 37637.05143 37557.03388 36505.79836 35329.78372 35693.02373 36034.79074 33724.18724 38012.20438 55956.80423 54676.16651 58149.34123 59792.32274 59558.60428 52551.94631 61828.98694 60265.91854 60077.82001 61034.15328 61098.82092 63912.89482
Anthralin 50936.54855 45342.77654 78440.78772 77008.87714 85496.24526 44709.06754 159510.2092 194977.0119 176518.1725 279763.2459 312758.9824 389859.5515 2130231.944 1804963.408 2015503.065 1717805.429 1413741.512 1670462.858 2185146.355 2017180.492 2049532.123 2063965.561 1869253.891 1947698.733
Amylotetraose 716184.1755 368604.4699 347476.2952 341268.8968 346026.2894 340129.0058 301031.4512 335734.9799 330155.6897 699435.9458 325337.1313 745401.5384 308.4280069 72.85885525 35.8667007 21.36182736 13716.48881 35.22168876 5141.749822 26.44785834 4616.033762 32.4382879 95.5798803 4505.15083
Ammelide 374545.7991 377181.6543 362777.3101 386726.5546 359699.3927 368678.9591 235389.5149 227761.352 226971.9374 229108.8777 238772.3022 232065.1739 58537.13309 65596.70774 56280.40226 66695.0568 104604.9335 63010.20237 56095.21071 53034.90029 56094.94818 56827.88775 53935.84695 40845.76198
Amlaic acid 374.8050938 401.777139 95.37381947 318.4841718 245.8639108 2721.379448 2243.470332 301.876653 122.1302085 1823.726103 2604.359166 104.0548863 50229.69545 46030.28371 45774.44481 52102.36925 61351.03151 53180.8276 44648.55284 40868.41573 56357.15618 44526.42787 53233.00848 44379.58069
Amitriptylinoxide 1776.34215 2033.557294 2339.22123 1427.326997 1293.973554 1818.909652 1677.562753 2368.539475 2246.00763 2367.896605 2072.454965 1843.166689 1319.305958 1885.669897 1842.588587 1783.398438 1105.222185 1655.82293 804.502535 530.0912055 846.9386793 612.3973549 912.3344657 1207.575048
AminoDAHP 1688.478782 754.4079122 620.0327272 283.9122986 190.5978075 45.52441171 63.3431116 8606.180393 10019.96463 9864.202405 7467.943868 7130.975727 70811.54872 36021.87312 21124.16131 20644.41936 21260.88371 50146.3195 86851.37072 12465.61896 69259.2011 98298.31779 44181.67016 97523.7763
Amarogentin 3363.032625 3881.116826 2459.555879 4698.160556 2848.854582 2380.185829 3513.947879 3254.917173 3540.521458 4422.146509 3775.907059 2978.384225 5615.759321 13805.7392 12286.1857 14014.39986 11923.20014 15130.97156 12720.03258 12795.23653 15609.40318 12021.06894 14216.68928 13162.59633
All-trans-heptaprenyl diphosphate(3-) 7735.495032 7209.791499 7382.883054 7997.226556 7842.554445 7177.201932 10380.92954 9939.258571 10230.23797 10664.8097 10356.18656 11137.37804 9675.506193 9234.236655 9424.006819 10092.9612 9060.871309 8698.91162 10925.89044 11479.80453 10720.65407 11254.18473 11605.11681 10612.36016
All trans decaprenyl diphosphate 95.42253961 222.8501189 180.2748587 182.5481288 85.93940466 375.2680696 370.2282139 370.6998255 388.0310779 645.3336429 105.1028326 218.1080682 56.10727293 1763.236282 2402.142064 1208.479332 1604.29383 550.4033397 360.252144 2458.319359 727.7175578 2798.894244 1074.041478 2889.068667
Alectinib Hydrochloride 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 2193.383749 1547.864572 1998.386279 3648.00244 3462.697316 1662.89335 472.6798809 498.7016183 35.45106318 51227.69073 50210.34938 927.8691438
Albendazole sulfone 4226.010174 5326.337067 4555.774848 5367.403296 4788.75128 4564.775839 4140.693814 4074.873247 4401.895814 4302.272093 4371.315456 5880.314697 16.4596236 52.28338685 325.0390672 29.14293047 230.832088 219.1171203 140.1942048 514.4070678 517.1339524 581.4983739 658.1017824 696.583367
Alanylhistidylarginine 217.3070519 1695.380288 1711.624036 1167.851499 1619.39011 970.5079497 1311.6541 1515.14836 898.0746142 1145.517853 820.0654733 1404.868039 4771.630471 9899.624744 11001.02779 10066.77037 10741.25823 10885.62627 42639.05106 41586.08862 43492.89553 43248.62908 42927.59257 43724.34136
Ala-Val-Gln-Glu 282.7859299 118.2752097 13.5349841 222.4108908 221.211408 57.28161367 208.0965777 83.60065125 414.5181947 50.75596004 94.74430285 370.3596896 2116.94551 321.4535357 1387.567166 2853.467074 2131.629295 1103.583638 665.0264303 726.8970509 492.1198876 391.5779275 404.2353214 107.3128957
Ala-Val-Ala-Ile-Gln 19.86264566 40.73864289 25.75601452 16.92588037 26.86712442 5.952828257 18.89030039 51.3750467 35.67766955 42.05526816 7.778330963 6.071872147 46.11462347 63.60608043 64.47428731 15.89395907 9.405465902 27.12494869 19.62455399 29.04971705 43.12877862 36.29130481 49.35778034 4.762272558
Ala-Pro-Ala 625.4780594 913.3396694 749.1680473 715.729822 743.6355588 994.1296622 1240.82318 1933.88549 456.2900318 1342.545718 2116.704643 1910.374228 423.8335685 567.4818513 202.3272902 490.6005175 545.5773879 508.7218874 178.3998855 140.0448766 258.2773023 402.4479032 171.3619235 354.425883
Ala-Phe4Cl-OH 84775.74774 86775.24702 82839.01302 74195.59652 73367.81799 70791.38115 1876871.609 1623737.495 1886563.655 2307430.886 1969835.637 1915597.356 248886.4373 257731.3214 258073.5432 285730.1668 288302.6925 268521.1822 28818.87141 38224.89986 39106.21311 36421.35197 3293.727856 28787.78627
Ala-Phe-Ile-Arg 13975.01474 12931.12918 16446.84207 15816.45125 13121.58063 14912.79609 13361.24685 12780.65924 13277.59095 12414.40041 14382.32023 13557.21931 48051.15249 48246.13579 43639.24206 48114.88935 48298.57586 46150.85509 64492.3862 59404.08983 61725.26968 65312.8454 63468.59296 66974.15414
Ala-Nap-OH 614281.0384 599320.9517 581696.8791 600284.4265 582548.7895 612328.8285 539497.8121 531338.6707 507061.7754 502561.8242 508321.4401 499736.5392 225332.9918 226777.3477 212364.0261 207032.2407 240869.8813 213614.8672 67246.89261 66220.31292 63149.70931 67504.25577 69037.59747 73107.03256
Ala-Met-Trp 1764.833417 1657.135137 1540.23743 1086.358021 2088.388835 2751.776858 4752.839486 3269.622533 4731.704414 2357.0809 3892.114159 4533.369236 16955.41267 14023.47988 17433.35553 17435.89028 19375.79331 19928.25497 51421.73589 44628.09307 59176.2317 45879.76869 49242.55607 60644.32763
Ala-Met-Gly-Ile-Met 2387.594557 6277.725498 2594.193745 3245.17373 2058.067517 5504.235183 13109.52504 3768.043166 19927.8566 18093.88416 14685.64353 170.5569758 51988.94227 50291.18379 52055.59099 52585.88838 44708.63905 47324.12333 29550.78174 23945.76236 37844.52925 30273.58544 22706.20609 24421.77915
Ala-Leu-Thr-Asp 729.9218849 716.7533224 701.1391121 1337.774552 953.0472053 463.0980712 422.6799121 1946.436162 1339.774212 947.3767843 2377.242854 1610.177697 8895.898861 7391.696599 8631.538226 10470.51864 7440.193976 9244.125329 6432.822691 6442.196168 5225.297025 5400.340923 5758.83794 7250.443062
Ala-Glu-Asn-Arg 44.01873967 235.0242897 101.0888069 79.30006602 161.8080379 74.87596156 212.2418253 128.4055217 131.7241468 118.7837818 101.5306572 95.30212395 852.7850468 1005.573518 1539.761935 1341.399134 1244.35554 1519.860259 2446.010882 2780.136409 3727.475202 3067.774034 2927.267128 3182.391187
Ala-Asp-Ser-Glu 141332.9511 141292.2404 129356.7319 136228.9958 127389.5277 127183.758 84570.51744 76594.32198 75022.76821 80116.73267 77503.22057 77757.72614 1006.576506 12371.19354 12503.76323 11838.37505 11328.50935 11632.34549 19388.44858 8348.214432 17819.96104 8833.60154 12250.00662 11083.25913
Ala-Asn-Asp-Asp 121605.8001 140435.1555 110635.5557 122645.5749 115561.0084 121614.1813 105519.9857 102514.1522 106892.851 103283.9839 106151.42 117046.2159 30851.63603 29202.5209 29763.11838 23658.93774 29469.40935 25002.28096 9344.218889 8109.377714 22.43065494 9307.57149 10042.54627 10280.89394
Ajocysteine 16479.90093 10998.00736 14695.04338 12286.70827 14262.79581 15286.98236 7444.255083 6098.513199 6594.352633 7533.73949 5889.467168 7982.216251 309313.5515 307333.5232 317594.7367 318584.9032 305061.1475 347242.8806 447793.7212 426423.979 466409.8924 512085.3296 450117.8636 473855.7464
Agaropentaose 21972.65628 20954.59207 18744.6132 20775.23275 15432.81515 19082.69184 13560.3852 17950.12831 14948.2742 15704.45631 16522.50623 19409.75426 2910.174482 3246.066572 2336.933263 2924.468621 1331.858757 1532.409269 2351.001645 3332.243937 3786.596807 1044.485648 5442.885768 4864.461887
Adipokinetic Hormone 22818.05189 19450.46261 25265.45535 20806.47527 21351.02028 22366.89235 3873.898931 3196.676145 5894.431256 4626.803269 3724.387871 3916.518804 475.5596709 182.7302512 264.175781 482.8113757 253.6267017 686.5750739 844.4219162 1463.546894 756.9727217 777.9162217 914.5479718 1333.288447
Adenylyl(3'-5')cytidine 51611.22846 20259.84789 20441.23504 22686.34471 20435.76362 20984.12839 15951.69731 15819.3868 14566.71007 14347.70769 14671.15814 8232.843227 1074.89925 369.181882 2488.414017 170.8937906 2294.232721 1848.543044 47.87584559 378.1428104 770.8775854 158.7328821 18.43339513 37.35930326
Adenosine thiamine diphosphate 1385926.077 1513120.488 1479670.032 1548846.271 1419467.44 1428446.609 495439.9987 487704.687 439628.6289 465101.1666 532962.8622 490688.7262 5442.376057 22446.87465 7045.612781 14907.78447 5546.898769 20706.49283 1655.181272 8966.214836 27082.33268 18560.20434 1176.024518 914.9059925
Adenosine 3',5'-bismonophosphate(4-) 2002.693902 621.3347976 737.9738364 747.8968698 396.527534 1074.417794 9476.09279 9383.604043 8324.751958 8286.927637 10534.12173 10252.87342 142042.6975 133151.3554 110895.0061 119909.4157 108874.0627 99162.50881 7585.541797 6439.55595 6799.66999 5846.982427 6715.073547 7558.117774
Acylsucrose S4:24[6] (2,5,5,12) 669.732425 877.1612962 1142.093668 654.0852158 1049.391879 506.9960554 610.3243677 555.3956921 492.9485629 889.7113275 277.3795346 256.2735183 9130.229616 8592.834238 9572.133986 9372.329928 10076.5889 8724.317705 6224.39885 5469.650942 6188.97754 6824.358552 5621.259982 6461.844794
Actinamine 737.0743422 789.9045851 970.499212 288.275653 661.6821813 227.1288969 295.7524465 39.41821612 107.9243478 148.4113757 322.2312792 302.4021899 8120.917785 8118.396971 6760.324119 7062.924499 6584.026855 7244.661587 8986.116691 8788.859295 8815.387626 8146.576684 8637.08863 9296.259754
Acetyl-maltose 7813.043649 7960.753704 8330.202996 8503.801757 7225.907879 7752.217081 2480.822811 38.4670781 3141.966748 54.95293312 176.8790739 123.4158904 7274.798223 7197.636212 6266.690227 6547.30603 7030.038347 6644.978324 1974.527203 2046.916961 2598.131417 2098.566744 1827.154837 2080.512401
Acetic acid 2-[7-acetoxy-6-(5-acetoxy-6-methoxy-3-phenyl-benzofuran-2-ylmethyl)-chroman-3-yl]-5-methoxy-phenyl ester 23631.1916 20983.47441 19639.05972 20958.87371 18186.64477 19490.99773 8961.03249 20558.06237 10507.08064 18780.58409 20548.74039 22735.25386 38687.30871 35210.97643 44655.70956 39860.5679 47011.82897 40766.89458 66263.56567 50344.66875 54090.25825 52447.51623 50000.77278 62989.46635
Acacetin-7-O-glucuronide 30129.99966 30354.95954 33122.61489 30120.92761 24838.77966 26581.20439 21568.05001 19825.32935 21949.03425 21945.63354 22677.64174 19295.29594 11255.62035 30574.28766 39674.52202 35322.64766 46605.37077 39952.37207 8374.609367 13169.87524 7012.935863 10549.82726 9756.02525 10639.35723
Ac-Val-Asp-Val-Ala-Asp-CHO 11692.49639 8792.842645 10786.39991 10840.44183 9872.476222 9389.745705 7952.891894 11236.96749 11304.7947 12565.08994 10238.33512 10805.95008 2795.401072 1802.234711 1589.181601 1881.754323 1350.849067 1941.26886 830.3342929 1266.220511 506.8813434 967.6450535 1265.065228 870.1453033
Ac-Asp-Glu-Val-Asp-CMK 25994.17018 28172.07238 27119.695 29276.24745 25780.76172 25664.77027 29856.77311 29299.07465 28243.76059 27500.86356 28597.84644 27887.9509 118.3709713 598.9162488 517.2935726 732.2270964 451.7623802 381.2494476 362.2312519 413.7755985 812.3956971 1005.690749 1073.418361 339.2112002
Ac-Asp-Glu-Glu 75875.2964 75924.15774 2200.84286 74671.50919 70432.67822 73266.45129 8790.507393 8055.555406 4804.109922 7557.284074 6778.666232 6116.891397 60401.19808 61928.52985 61704.93876 64325.74201 59951.91387 61627.14167 46167.92 44795.81713 47604.45326 46926.66595 45994.73955 47498.25667
Abu-Phe4Cl-OH 185492.0779 181705.7864 170943.4709 183054.1821 173173.8993 166478.1785 154048.9502 155751.0591 150076.5375 150750.6102 145110.3733 151946.8606 50624.64871 54015.31813 30752.80444 29896.8919 19709.54216 29187.60884 5734.499995 2995.588925 11330.45858 6610.307432 9279.372818 8999.250445
Abu-His-OH 678.4623572 27.35427204 20.918172 98.55535815 549.1901875 44.24924662 388.5890589 556.395295 431.841004 32.18196493 30.84067914 93.57513268 23566.47146 24156.59682 23515.9248 23249.3207 21769.02969 19844.76484 15261.53566 17435.9317 17960.45358 16892.96407 16867.621 17352.48254
Abu-Asp-OH 899.9418029 710.3778915 686.8488668 708.1659744 478.5793907 663.7153623 673.7712391 877.9184465 781.070375 778.7606667 760.3567991 318.2806526 10930.96472 11313.00616 10720.34059 10414.4279 11584.28249 11165.72302 2870.261747 3128.994938 2684.010107 3720.512621 4123.072775 3936.827211
Abt-751 1043.899642 370.4005594 378.3724549 459.1803348 382.6959731 105.6286254 1056.063158 1337.479436 2036.78411 2565.7278 2939.573812 2583.909439 1690.754916 538.6405206 172.9245656 321.3092132 486.9727614 316.8278933 1052.692765 1548.345429 2199.03032 47874.11039 95.35584495 45.17234285
Abemaciclib 9609.027935 7310.421749 12504.0314 43318.3361 14238.61667 51890.02245 14307.96321 2627.763933 1492.560651 12889.11516 3351.782264 3570.102669 34125.93236 52132.86723 33732.33879 35368.84218 57500.50265 47176.71546 42738.21503 41731.38782 32392.66224 41775.88981 30719.96259 30350.17512
ADP-D-ribose 1'',2''-cyclic phosphate 323.4694899 242.3842251 95.17039756 265.1960912 89.53100811 364.904214 52.34378711 89.70752512 216.4249507 15.86174142 149.9823007 133.6185369 6351.864115 5942.665248 6424.148438 4480.186885 5367.041207 4325.535493 502.1438733 148.0423994 423.5081443 210.4326446 348.2547983 319.5271963
AB-Pinaca 878.2151019 765.0823234 981.9917081 612.8028789 1463.557724 1139.894881 2147.996478 2288.421993 2132.106303 2345.965939 2508.189633 2713.579029 174.8557072 133.3271877 180.1635464 374.0645217 186.5126631 217.8408482 247.9192996 265.821794 226.6874239 130.6207023 145.2972873 97.83579974
A3'p5'A3'p5'A 9602.542378 11015.87476 9440.588513 10332.57255 9493.62124 9643.457238 7095.912534 6834.98658 5920.859727 5940.505015 7349.248597 6414.867627 315.0588693 375.1616256 377.2325015 9.531193575 7.971477105 19.68117233 235.7860143 45.30369515 21.83499785 211.6579794 77.98178022 575.9171736
<i>para</i>-hydroxyatorvastatin 10765.70967 12691.82458 5318.665419 7342.849291 4642.105949 9949.64707 10405.17749 20801.37923 10289.91808 9674.983664 7996.856995 9836.759616 963.5879032 813.875607 2549.726277 1332.548382 751.4962076 1918.125174 935.8406066 900.7788202 2294.41557 1958.292195 1274.768736 1161.889784
9-{5-O-[(Sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine 298.9095193 362.1143434 204.325995 298.69788 308.0698623 608.1945443 43.21933404 297.4317752 187.1472871 493.2557332 380.8190852 377.6645307 15365.30486 14376.05902 15948.51109 14295.44883 14437.43598 15712.8664 4702.619371 6128.41796 5056.156165 6125.32026 5962.379324 6148.113603
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one 1057.001319 648.872537 3806.688806 1361.441007 3333.303022 2247.765551 3955.957877 3578.012777 3125.776996 3880.657017 11374.46916 4556.451576 4350.308012 5504.402184 1996.313003 5445.905837 3041.977083 5943.993558 23496.61229 22233.06961 22725.59 22868.74461 22745.98914 24445.70656
9-OxoODE 4525.158613 4548.886595 4363.450771 4290.318382 4123.446894 4336.610555 4185.171027 4898.478561 4293.362757 4413.007549 4593.597012 4371.843455 14164.68782 26609.03266 13899.0716 26940.78812 15845.1502 13119.24299 7809.930504 8167.456533 8961.546249 17508.13432 8599.219623 9633.861854
9-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid 2564.036636 2433.473871 2856.518396 3188.816603 2640.509147 3204.85633 2575.962948 2348.883617 2005.966203 2795.105746 2770.801203 2854.589948 125.325057 115.7248543 201.1701795 49.35806096 13.64779522 22.16509807 210.2338159 177.0422393 44.84298727 152.2045424 350.2486504 233.0979528
9-(1,3-benzodioxol-5-yl)-4-[(3R,4R,5R)-3-hydroxy-4,5-dimethoxy-tetrahydropyran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one 9201.43738 6942.463582 6786.78033 7086.180714 6560.505128 6532.221419 9131.087091 9123.357244 7198.082377 8835.713827 8216.783997 8619.64847 12600.32279 12560.88837 12299.76579 11104.26612 11650.19665 13444.80971 9732.938133 9448.14681 10223.14087 10237.15396 11042.12722 14072.54855
9,10-Epoxystearic acid 206.0436943 242.1362624 215.8657396 322.5450875 115.1293236 432.9896653 169.7232488 170.7512807 166.639676 113.6442369 910.0172034 1455.447877 26821.92587 26579.2907 24698.34409 25826.9442 24973.61535 24773.56929 26738.45513 23125.38356 26611.56167 25829.50471 25557.23098 25366.88168
9,10-Dihydrokadsurenone 3551.558227 4452.551146 4281.785137 3573.46593 3723.945482 3995.8616 1994.676495 1952.287563 1239.562349 2062.603581 1561.656958 1915.236002 2780.776116 2600.943608 2724.163465 2769.443088 2810.314157 2506.913033 320.3693292 83.17732296 338.9000505 262.3298558 158.1007996 416.4424256
8-oxo-GDP 53.2879033 76.5431207 71.18578693 75.83822981 54.19371086 67.01222909 12.41649362 31.19017554 52.08073862 20.88990452 29.44709025 48.44015664 869.0193476 836.3384806 195.8508776 643.6297346 258.8577635 267.4986722 250.2589425 109.8179128 91.27791303 53.77656607 145.0956513 68.08077111
8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C 642773.9033 649359.8515 636916.4782 11770.48185 627372.862 628909.6942 257494.2445 257011.8732 257156.1116 251939.0319 261071.0566 258731.7906 22395.21174 1843.893062 17584.66532 1323.137851 14716.94529 1077.499621 1396.997079 11559.99734 13080.39337 14592.59871 13962.66368 512.2053668
8-demethyl-8-(2,3-O-dimethyl-alpha-L-rhamnosyl)tetracenomycin C 187713.4349 193585.7372 201912.8045 205812.562 183859.5043 190790.8732 291056.8027 303072.0361 280415.2102 292522.6457 333769.0336 302694.607 134435.5771 151674.286 140446.6109 138119.3889 132067.3739 129552.6084 21672.64843 23745.99561 23522.00107 21612.67081 23306.71391 21688.93925
8-demethyl-8-(2,3,4-O-trimethyl-alpha-L-rhamnosyl)tetracenomycin C 59441.26132 56000.32579 58098.96335 33772.64701 63921.29188 62621.85026 38046.16467 80570.72819 34852.64447 87633.35972 96511.81569 31383.56518 20945.98341 15053.94609 12072.02333 8775.2103 7394.134326 11256.10387 11531.21169 4664.024755 2061.007551 584.1245536 4412.269981 1372.499054
8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 60560.03713 53646.96737 57306.71409 61183.56532 3978.812519 62484.15425 66714.78546 68269.78975 68951.43578 71242.85354 68909.20942 67151.16302 11404.69921 86158.85896 99054.06972 93279.87057 31552.64859 84575.18679 110117.6909 11866.5094 117403.1124 122994.2993 94623.65911 86937.41836
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 8034.625128 9047.085713 10246.46772 3415.679363 695.3679441 5281.867894 12265.7924 12829.49565 13295.09528 12755.69004 12014.1247 12219.22018 150049.0696 147044.1981 145387.5521 152080.0124 149643.76 146006.3372 228515.4073 220425.5 227001.372 226715.6586 219503.7694 233775.7884
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 739.6933491 1381.402813 1593.265654 1630.418704 1792.441141 1571.785792 2861.796175 2955.756114 2542.784218 2377.218302 2856.841448 2557.902774 64.80291002 61.42236773 43.29628744 32.6831538 55.73382553 59.26359268 120.5106602 13.52405956 103.436035 150.0186768 4.508032294 71.06210559
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 11825.7248 11059.29292 8487.109576 12924.02765 9622.438477 9894.364184 7176.447609 5933.960842 6191.248092 5377.341122 5217.409617 6017.510351 1218.823279 2219.087257 827.2213765 619.3368013 1565.475274 762.7965296 862.4237093 329.4242566 262.7383094 567.6774412 589.3874574 410.4406687
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 25040.43622 27922.35152 25346.42911 31398.13634 24195.59186 32264.16076 13186.72967 24750.46881 16389.45374 13885.36742 18351.13895 23854.66118 1365.991758 779.5569677 619.3105737 1444.164258 1134.13579 359.9462336 983.6383783 1863.047114 1669.188252 1315.821213 800.5018189 392.8234763
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 20056.11003 32070.43739 22627.91915 25358.6544 26283.36702 16144.15299 17131.8776 23871.67741 14518.91064 18768.32085 29573.50807 16176.74453 822.750335 299.4720525 47.15077813 1591.739171 186.3730352 1223.541063 263.0249835 266.4981771 335.1549879 66.90295612 38.8675968 243.1455055
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2499.753197 135.0139191 364.8499255 652.7569796 298.5678346 458.179921 177.1855908 332.8472148 307.5806277 149.0195508 832.5311823 198.0274973 86878.11714 62280.45574 73621.1071 86683.57967 83757.091 81600.51142 105886.9662 115394.7677 131676.768 136972.3706 102788.7651 105454.34
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 64.89397994 50.29127176 174.9959405 340.0866864 3255.199873 5574.115062 5825.809033 152.3016527 126.9176326 3609.682965 4131.672296 47.72090472 104042.2002 100231.7891 94141.99885 100795.2826 99482.04741 99591.33827 183350.0369 181411.2556 188312.8821 182085.6502 182399.8913 189285.4291
8-[2-(acetyloxy)-1-hydroxypropan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl(2E)-2-methylbut-2-enoate 24019.90039 22900.49702 12950.97076 22603.64567 25442.75919 25293.5266 27351.01048 26051.24785 25409.18076 20185.99848 25369.00727 26223.09924 7307.99732 8225.444485 7670.649035 7036.609604 5204.324222 6267.277847 1810.97729 632.6242515 2775.146386 2726.503691 2402.136458 1376.020452
8-[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 1957.940331 1599.826648 1750.179685 203.941208 639.9030568 259.6059678 882.5102093 1647.567142 1512.199774 995.0611126 1116.990195 834.0042798 21652.26234 20077.43243 26086.61224 33970.90054 23022.8437 22297.73479 31593.99869 29013.92326 29751.53157 29819.01941 29220.7653 33951.81743
8-[(6-O-Butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 1351.236327 637.3048742 1650.78033 304.1536679 265.9303227 442.0363865 839.3089433 596.7115431 558.5471516 77.96003035 1626.110563 947.792995 29640.68096 28484.90103 25566.61616 32170.8842 29955.07516 27331.62817 59852.51265 54783.68036 59713.61583 93928.80287 56720.83264 59858.34513
8-[(2-O-Sulfo-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 281.6475546 203.2759983 284.7096911 189.5001155 344.3683419 1092.12384 337.3648935 269.096126 206.9492323 82.96358388 890.0184172 1667.868561 25059.13513 26066.47707 29714.88885 29815.54133 33050.61279 32976.11627 9618.185957 10301.1343 10062.23796 11795.84676 11419.74996 11327.71418
8-O-Methyldihydrosterigmatocystin 20910.50702 21179.71862 21659.53206 21401.3823 21455.2413 21205.1248 22865.23581 20842.40144 22583.83987 21943.76326 23700.47828 20856.44989 1517.6368 98.38268176 96.25230368 1245.111285 1501.757238 1480.720082 50.88341608 29.3267466 26.56955196 39.85423041 346.7857112 211.1088398
8-Methylthiooctyl glucosinolate 2714.745829 2438.751819 718.1337414 1536.832073 176.0753648 1376.138487 5816.82767 5043.918001 4314.351588 6411.871303 7672.354926 7965.137168 305.9849067 49.76246682 29.47594933 432.7488213 604.4114566 126.1815301 483.0643836 42.61009689 20.97982533 458.5718764 352.0614152 306.8395239
8-Epidermal glycoside 184.7335065 91.14022149 692.4938653 474.3052131 181.9919594 717.7255895 979.4072844 45.5699504 1057.292142 1142.853814 27.39959623 848.2798822 8524.118683 26464.09816 10160.14343 26888.52928 26853.31697 8520.942 13849.00338 12838.78004 18279.35617 13184.70095 12950.54012 14465.37759
8-Demethyltetracenomycin C 342.4821796 193.0931846 39.89121889 103.8360163 47.63459517 76.74624936 963.5136173 782.1475266 41.3244111 631.5966272 28.18715329 48.54338278 3636.991995 3176.798608 4425.304227 3463.69005 3314.163152 3274.102428 48853.53233 41924.59743 48120.69282 50957.46616 39608.68344 46454.63386
8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 47735.19009 24364.1604 17984.57642 19481.83603 10496.12458 19696.53908 27710.52897 26831.70031 34665.3258 25535.0705 20000.27774 19783.90048
8-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate 3158.235111 2580.387424 2975.369698 2818.908789 3393.252653 3192.488259 4089.686283 3572.576126 3342.902309 232.3473855 5346.611543 4528.495341 50899.54707 52683.02838 49333.96658 50353.12792 55441.94726 51083.42406 30403.21299 50776.11411 43584.18047 54446.75422 48424.98388 48561.54658
8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,13,14-triol 13247.04831 35787.32037 24545.72878 36050.94077 24541.52989 25734.27635 35576.04291 34344.79851 35316.54052 29655.2538 38148.64145 38739.44064 422988.9394 111074.9098 109492.082 109874.5742 326632.3326 102761.8312 360776.7898 48767.2775 380096.9819 380711.2115 123353.7835 114470.3681
8,16-Dihydroxy-6-(6-hydroxy-1-benzouran-2-yl)-12-methyl-3,13-dioxapentacyclo[10.7.1.02,10.04,9.014,19]icosa-2(10),4,6,8,14(19),15,17-heptaen-11-one 73513.29128 22283.27172 25352.53084 19950.27508 18657.03059 23994.64173 125803.3409 111625.1759 110206.6208 96717.47427 129586.6017 131879.9414 181567.1036 196059.491 201999.9413 208895.262 239669.18 208251.7292 32929.83337 23627.81513 27855.19635 23022.313 25350.26429 33626.62288
8,12-Diethylbacteriochlorophyllide d 19875.75394 18945.37792 20862.95027 19102.88307 18518.44944 15425.08441 6025.448243 10898.57278 1746.044799 5906.846439 6422.19635 11041.06307 6864.171603 8153.02318 6675.35217 9169.237583 9506.487216 7216.073176 6626.559686 4789.793932 6202.243191 6001.147063 5687.975572 7081.116254
71-Dihydroxychlorophyllide a 332.9088748 977.5673057 589.3925686 293.9548253 804.7293917 357.1417014 2186.471809 2023.728987 1458.26869 1708.355664 2883.91861 2837.009973 42.19469187 27.61323697 52.4087901 92.22523686 110.8756947 120.4555914 102.9151889 42.23140183 110.3825229 147.6470727 79.59013816 52.62015289
7-chloro-2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,8-trimethoxy-4H-chromen-4-one 63934.60743 62651.76602 64345.45345 58494.80917 59898.44211 57298.77318 60496.25345 30124.04023 30589.1746 28602.58427 32739.86092 29270.85138 5938.538147 26780.19081 3341.147974 26422.26247 24754.11175 26074.98983 12795.13116 13137.11224 14146.50605 12919.32183 13984.41759 13235.32538
7-chloro-2-(3,4-dimethoxyphenyl)-5,8-dihydroxy-3,6-dimethoxy-4H-chromen-4-one 24041.87894 36428.84207 2662.562149 2001.819997 2073.477773 47230.62412 6997.252905 20194.50789 14795.5742 19185.4531 20362.34345 16960.53269 144547.2981 153616.7763 158162.9352 168727.5108 154816.553 134205.9238 31890.57717 18725.14522 22811.16978 30036.99749 26477.56151 34617.53263
7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b]benzofuran 24431.40195 25100.19414 17505.66529 21982.22504 17821.44137 27564.08251 21139.8205 26942.34201 27213.93764 26594.96684 20785.15277 20406.01571 38043.68031 14719.25058 16083.41468 13866.27191 15888.69016 17362.61677 11393.17369 4910.33135 8874.525346 11012.89035 11187.315 7604.176507
7-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[4-[[5-(formamidomethyl)-3-furyl]methoxy]phenyl]ethylamino]-4-oxo-butyl]amino]-4-oxo-butyl]amino]-7-oxo-heptane-1,3,4-tricarboxylic acid 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 1312.836803 1959.466167 2428.524464 1713.453093 1935.20029 1970.197389 3346.718247 2664.666343 2947.683968 4418.786695 3474.422584 4054.321227
7-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-isopropenyl-7-oxo-heptanoic acid 6583.450214 2970.589631 57977.55155 60896.36868 56816.57542 3003.493311 1724.78183 2767.094274 3097.774044 10406.45331 6667.263285 3200.099258 543.4181434 404.2928425 3424.506993 2369.845426 3344.440912 3829.793504 1140.946984 15248.39838 1829.259475 697.1323832 1457.410848 1208.031013
7-[(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3',4',5'-trimethoxyflavone 1285.98399 710.3514802 1106.406644 1431.583119 4698.118701 785.7602132 35.01973876 3371.627603 2983.448906 110.8962295 200.6337279 3820.167614 99280.97835 100733.4737 99513.81138 101180.3701 101316.4321 99672.39084 293737.3385 298597.0066 324707.4702 323976.3585 300993.1385 283171.59
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-hydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one 12003813.54 12997096.78 12458996.07 13257336.46 11074737.3 12522823.9 14734103.18 20376101.11 19514218.25 20563383.98 20044875.41 12902996.44 11151186.26 13058409 10505331.37 14121911.19 14476638.99 9800938.693 5349604.869 6846558.408 5346370.379 6407116.367 6755668.819 7151996.917
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyxanthen-9-one 11740.18816 2714.178496 2663.521223 3987.436633 6453.159046 1855.46633 46612.84305 48243.45625 61895.82481 28370.46779 43448.22926 45865.62637 6599.26195 4674.57643 1993.374238 2513.221447 2471.577912 5023.481868 27852.30008 29469.76223 28490.33812 30149.58263 31489.05222 29602.98691
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dimethoxy-3-(4-methoxyphenyl)chromen-4-one 343.2409351 885.6391842 146.8174884 236.4079713 268.6187546 113.6479995 609.5179534 466.6657985 442.8085031 468.1155284 667.6482802 480.5983625 1743.611822 2048.520266 2067.880372 2040.26802 936.2906028 2283.184461 1458.737553 2710.066828 2525.841132 3351.038677 3270.942535 2899.28408
7-O-Acetyl-N-acetylneuraminate 3796.183988 2404.290084 1852.195728 1873.717895 800.9318469 4854.056176 8724.861599 10776.26535 5216.959613 7312.941966 15099.75528 10006.25641 281.7794796 269.2001346 234.53839 296.9127416 307.9073989 439.4287388 74.84110456 36.94902781 233.3060654 229.1702322 174.3633101 282.3463858
7-Methyluric acid 72560.74542 66850.22274 66359.39264 69036.12417 77982.22935 63335.73045 108633.2501 122393.6601 101829.3241 120273.0528 113861.7903 113246.2145 193326.7706 186482.8034 205457.3985 182491.8935 199687.4468 180970.6805 178683.1112 178016.0987 186593.8389 192259.4974 174984.1936 224246.4735
7-Methoxypradimicinone II 289115.238 255.2795597 233256.2213 255697.0631 236188.1386 262370.0108 36.10644073 284.9331889 560.5572018 180739.0205 216.1495309 4137.572626 588588.6193 2063181.304 589800.5247 612452.9173 656220.7483 614151.7225 894526.9153 266497.4307 285587.5401 866974.2143 871359.961 955483.6253
7-Hydroxylpradimicin A 843.4280237 1438.841799 178.9205401 698.5259612 1095.331649 736.759298 397.8043631 252.7288916 184.6943261 212.9359995 122.2056964 177.8807215 219.6685701 35.35580983 63.77047555 25.56951218 19.76933127 12.2437196 236.9980091 204.9900815 14.55379881 17.60321898 106.0500995 99.35043661
7-Hydroxyfluphenazine 3929.813918 3671.805292 3214.674865 2623.013231 2479.245302 2220.69966 875.737646 902.2919063 999.9399296 758.226663 800.7488729 697.9436765 39.19743602 25.6771194 35.56957097 4.668530431 26.8443189 28.25188387 26.67746447 232.2529786 4.244105306 101.926232 2.223110579 7.002785501
7-Hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-1-benzopyran-4-one 41121.41168 40210.66372 40978.26399 39725.05679 39465.40155 37189.96315 26928.45395 26544.60773 26067.44619 27196.12094 27952.58918 26191.37483 14902.91238 25402.58756 16331.86499 23729.14601 16588.41427 15840.71514 19829.51051 20008.2585 20292.96578 20472.59701 19295.93347 20940.53591
7-HYDROXY-7-DESACETOXYKHIVORINIC ACID,METHYL ESTER 471.2027462 472.0994203 363.7117209 288.9839172 132.7624338 275.4746281 54.10013637 71.73405864 47.61295397 33.56849123 28.69522025 139.068596 3631.004599 3173.888785 3128.109195 3351.27905 3332.081859 3673.474189 280.134739 224.3023447 180.3436212 327.8743604 359.3013853 284.0303889
7-Ethyl-10-hydroxycamptothecin 34679.07665 33782.27038 29743.36959 33914.56736 28905.37352 32836.59121 31473.27189 33962.62633 30827.3933 33499.25611 33176.01084 33167.52491 16575.64684 15092.14411 16380.24891 14628.6458 15788.17622 15343.18965 7300.576176 7622.128157 8901.851497 9252.169812 9211.95845 9373.947753
7-Dehydrologanin tetraacetate 382.0821475 105.3974809 499.7951728 707.8186104 348.2261413 1123.813119 1987.260613 2531.047014 1768.561406 2906.317622 2708.3446 2475.519174 359.5619396 212.8961071 125.0756548 138.7041951 97.0543715 361.5985331 24.19997945 71.45330334 144.6266568 116.7324048 11.46314696 6.368396972
7-Chloro-3,4',5,6,8-pentamethoxyflavone 1866.387967 1869.999301 1660.986478 1893.344373 1518.917925 1642.519847 424.6456777 654.3783769 617.2495611 556.6236514 619.7471497 604.9982293 124.4259527 125.3359303 62.55155762 130.2334389 119.2565618 94.03564878 213.8870793 102.2440593 214.695078 251.3416069 218.7679994 114.5147779
7-Chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxychromen-4-one 53046.2165 55235.65829 49849.45817 51018.62605 51817.11366 54560.44279 63990.95167 67899.92913 70992.44872 62340.29016 55649.02182 63461.25021 217.0604186 892.8449618 652.0971522 170.3285813 1777.179465 198.9898095 875.9038667 753.2526858 770.4128033 967.8829964 567.3053532 886.4968531
7,8,8,12,13,21,22-heptahydroxy-19-(hydroxymethyl)-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraene-3,6,16-trione 213.0888561 159.2036837 172.5465156 225.9307897 151.0972576 185.0191316 79.76664469 101.8971024 174.2956381 50.31535733 108.4038013 117.6287554 6308.973454 5794.374495 7045.518293 6949.458027 5959.642718 7100.686685 1575.13361 1633.830882 1688.72875 593.3104063 922.4012222 1160.918078
7,13-Bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane 538.6955025 1051.453303 758.6265816 1304.45143 856.8467953 970.5797897 206.0871793 297.8268138 181.2063366 209.4380121 330.8541744 202.0076367 25.45827608 12.60346282 15.01064051 7.298762402 7.436482827 14.72327795 10.9940601 9.215043238 3.855927767 8.721680832 14.89517584 6.100056065
7,13,14-trihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.0(3),]pentadeca-1(15),3(8),4,6,11,13-hexaene-15-carbaldehyde 177944.5712 217820.2694 199764.2381 202606.8525 193972.0876 191615.868 177987.8901 166248.3032 166808.2746 187268.4813 182648.4516 162752.043 633.3080749 733.8452955 7065.762164 437.1069992 351.7474208 7144.556251 628.2555501 2813.091373 3306.544481 760.4141131 914.9171331 862.3990164
6a, 3'-p-Dihydroxypaclitaxel 109925.3336 106248.8167 74401.64819 84621.14368 96542.55485 73954.82732 122872.0513 105532.4732 106144.3485 115705.7005 128634.3824 130460.3287 4521.964524 2655.117895 3068.274358 3626.160257 1818.687531 3053.782761 1113.807882 695.5940154 800.8274703 2379.071624 1615.993846 1774.779962
6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 191528.059 189960.276 190915.2486 201221.22 172290.4554 178323.0955 383348.0662 388982.1401 328735.0219 353205.3617 392323.2506 329274.51 19835.67315 4264.438513 18133.35201 16314.19837 28598.43091 26571.56933 868.3518295 750.9866174 361.3541977 9023.368787 241.8526251 360.8233783
6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 702788.5691 196510.3124 207969.0733 199321.5543 187497.8278 201908.0586 623714.2969 192550.6385 616776.4096 612010.6425 214970.8986 596617.1221 19037.21266 26248.48618 621.6309047 742.0775808 2310.643333 1494.928834 10093.05981 7347.806023 12110.39859 9673.410788 2450.30005 9252.264742
6-{[7,8,8,13,21,22-hexahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 624.4146386 939.2867092 154.5396363 63.36933709 61.73382338 79.92703111 1351.81667 49.0601005 91.57843966 68.68403284 75.42981201 915.0125158 23207.08558 24082.24667 21274.24361 22045.52273 29290.01976 27606.01478 22370.73759 21244.81386 24452.55881 26905.96974 22400.82649 27786.85991
6-{[6,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(1)]docosa-1(14),3(12),4,6,8,15,17,21-octaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 5818.07902 8300.79697 4200.633558 3769.545238 5214.92674 4116.161895 490.0077769 595.8440845 1381.01038 1245.519659 1145.288946 966.1744633 698.7366658 554.6398292 995.5829644 250.6818786 703.4697543 814.2724257 2788.927305 2740.80488 2644.720618 2457.267489 2715.804585 1113.683864
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 2590.993276 4975.989017 4837.637956 3897.916912 4825.393542 2100.095262 6855.070907 4178.475395 6256.763833 5938.309196 2841.96329 3744.52587 81476.73909 78255.67829 72205.00004 84655.32354 101396.2463 84124.83283 264612.6271 272788.6655 261734.0521 256533.2656 260159.0281 278464.7205
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl(2E)-3-(4-hydroxyphenyl)prop-2-enoate 1161.654932 2254.254669 751.7644243 731.9586835 2329.793403 2193.225189 4591.054598 4201.751855 638.9957253 236.4347071 2999.056831 3616.299206 86768.54463 88879.72935 87965.52149 84648.69978 95928.37529 93608.59317 178134.6057 178924.5344 179903.7885 185278.4012 175904.4632 173475.6553
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl(2E)-3-(4-hydroxyphenyl)prop-2-enoate 66288.91073 71397.38248 75333.46884 75748.17634 71791.99438 71972.27284 37046.43497 38552.40924 34127.27393 35781.71568 38197.41223 36241.11881 385118.6908 398323.2326 438013.4307 402138.2111 383983.4411 371839.8093 502025.0868 466887.3737 476760.5117 485656.1448 489787.8088 502146.447
6-{[5,14-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 99144.80265 104610.7888 104441.2396 104924.6097 86038.80238 102306.6221 36162.9956 110235.2386 102414.322 110507.7638 120550.4446 104817.2873 22260.2646 14860.15739 18434.34045 21283.95886 21270.84748 19284.36546 7702.245916 8968.793344 9307.959082 9795.299389 42983.61864 9606.152194
6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 3493.263732 1581.627327 1361.682697 3171.421888 10976.49596 745.428313 1665.427045 6595.997499 2850.460759 5223.649229 4491.844577 4858.928388 306208.3865 246087.6494 295754.9707 354652.1961 14675.25229 195116.0538 374255.6929 360667.151 380250.6482 376307.7954 362593.0303 354034.1776
6-{[3,7-dihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 68342.00117 65418.72881 58604.86491 65958.28027 57028.73018 56098.12568 35520.91789 31750.55344 30435.01283 33793.60188 34355.1961 30916.11314 1446.479042 2065.52975 3407.348537 1381.932456 3560.71133 443.0406707 4917.086859 4344.04801 5905.56718 6058.1436 4340.843849 5524.390978
6-{[3,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 710653.3414 676788.4754 677954.3159 686015.5287 667370.2787 634467.7194 749560.4925 758876.4392 751725.8764 739509.7262 758301.7986 748326.2812 65748.68265 52554.31284 55597.22665 93604.12879 38841.02559 113893.0666 8717.53034 2439.603595 8401.700721 8077.361372 10778.03089 13170.80233
6-{[3,7-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-6-methoxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 30659.22255 33407.67042 25873.25083 29482.6613 35665.16622 19223.61368 31493.10244 32472.72436 26096.09116 24112.04761 25572.00387 26254.45128 1499.291793 585.6435644 771.723733 1032.298721 285.6312229 640.5835833 595.8341002 550.0701179 349.0652137 317.5726636 1069.291498 521.1196351
6-{[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 3663.330735 134.3055452 1176.990209 86.87768104 1033.142815 849.5663875 2466.251077 5450.239301 3444.650151 4516.190815 5285.044212 857.5437582 1799082.213 1695023.41 1757943.709 1876027.498 1802832.939 1810531.08 940666.677 912882.3097 1018091.551 921619.2274 914784.4681 972019.5143
6-{[3,5-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 22855.50907 19936.34036 20144.02355 19282.84065 19123.84292 17628.62845 13331.17415 12697.04798 13788.70791 15372.35051 12257.09036 12061.93702 15672.92051 16647.93534 15974.07913 14034.25264 15064.79536 14825.50259 2673.254294 4280.949698 4498.037511 10551.09608 6680.052723 4233.035752
6-{[3,5-dihydroxy-2-(3-hydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 165379.4255 168263.5327 163742.2934 153918.1866 157152.2402 159979.78 91858.0454 95147.58302 92523.57522 84990.72507 96135.04715 77368.81647 30603.69357 31519.97028 31786.00499 32108.03399 32602.53419 29006.26511 9528.387735 12891.11665 179.4001167 13544.85369 11954.95516 12766.96964
6-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 652226.7125 576788.5954 537457.6919 575649.229 541842.4935 620491.514 581852.646 576160.0532 592347.77 573208.8714 732629.2569 525558.045 12874.73132 4474.374854 11260.16838 13325.08603 11895.08023 15564.12466 642.8341927 18902.15264 16465.14823 2964.511663 14298.0808 3059.691361
6-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 20836.7651 16071.91843 11499.1963 14689.26191 14755.82002 13700.07074 3748.948853 8461.688102 9922.576979 7862.987673 7432.571108 6703.006299 23559.60304 25712.75406 24165.08992 24427.07676 24768.75293 24497.12704 6082.571444 8159.69313 8882.080598 8640.209735 9036.257134 7736.142415
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 24394.04614 24471.55555 36877.26049 25304.50508 25404.83246 28488.43991 7725.245682 17169.87272 16980.92286 16236.24675 20498.97733 17005.6776 191570.1872 178004.7308 173247.7378 192266.2319 174167.4354 174662.9924 52328.61113 24910.19298 53027.47768 36455.26241 60458.52306 50166.4143
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 7231582.125 6253526.564 6889624.764 5936263.311 5212412.532 5702301.574 1871746.37 3333061.418 1914723.958 3704769.942 3814099.367 1958641.649 2388447.153 2747811.067 2190094.238 2965776.022 2878464.977 2441846.441 1360873.078 1410602.925 1810235.204 1417053.071 1308930.644 1503368.964
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 96447.66001 96158.0322 99154.34126 86042.46664 86816.24067 91217.65894 67136.09142 54507.24112 60338.96349 82392.40184 75100.96076 81891.66399 78388.34079 99848.7662 58651.00531 61812.64566 64065.37452 64215.46711 32095.66198 31715.94112 1096.447047 20903.64597 30131.58749 20053.28603
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 3699.560528 3205.542566 5672.270818 4567.61935 5236.111839 3090.594043 62493.98777 74326.70727 35504.12098 31185.25973 36124.63178 76626.36261 5045.647967 5589.4946 5304.62664 5810.828184 5571.015766 5510.47317 1421.197441 860.3357482 1969.230943 1820.536971 1912.289487 2087.938927
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 15660.54577 14541.5276 518.862091 17424.77895 251.6473375 13061.8894 7859.50878 6271.327538 1894.091364 26356.67749 28536.18439 6592.432089 322341.1399 314447.0494 300263.6566 312003.1669 293269.7457 299811.0669 274225.0269 473656.5547 363667.2704 280418.8678 493984.7262 287002.8629
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 131905.206 138505.3096 143081.1608 128566.6771 133454.6096 144119.088 176865.9353 175478.0684 177313.7716 171520.5621 165511.2205 168295.8793 7537.316834 6745.715269 9454.701162 8068.806899 3745.575677 462.8651738 9934.491796 6270.448899 14533.07806 13728.08311 12534.65178 5435.030184
6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 764.0187803 267873.1561 865.6271595 3667.979909 1283.204423 928.1965725 159500.3583 163407.3416 159281.8144 152220.0742 186640.6514 179115.3441 3246422.318 2929066.614 3399560.615 3238428.519 2901811.245 2951574.216 1331.866628 674.1495505 3779.447245 5529.887254 3982.802025 6359.838902
6-{[12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6-hydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 322.4393376 603.4713792 576.3985805 472.1147367 496.3925682 998.3536778 365.8721073 633.5510078 439.4886151 297.3058206 163.8918937 840.9030099 29.37793046 14.68891483 147.1092428 151.7135873 80.69301914 85.92926817 121.6181509 92.59794322 95.38147964 35.74417006 25.16137035 35.33064288
6-{6-carboxy-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-3,4-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6665.89004 6697.844937 6036.661028 4409.064847 4459.759438 5143.1076 5391.68851 4927.199933 6005.029697 5266.78468 3974.606105 3988.623935 4547.695667 8898.104792 8334.100406 5977.725616 9361.025558 7370.372699 8286.872559 7387.032176 6653.571071 10291.04549 9815.26899 10576.40224
6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 457.3505299 70.39935408 457.0272666 1366.551128 345.1224141 175.4220095 198.4718463 94.9345154 134.3613383 164.8948863 288.0016157 150.3377743 5191.606466 5212.122741 4696.511441 6231.666551 5165.624941 6895.800135 2553.072907 8302.239274 1393.080051 1686.789743 339.5917166 1673.482904
6-{5-[3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,3-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 214.3338998 215.7544966 486.1907429 194.006846 244.9418489 460.2404729 429.5924535 632.3112689 372.1091073 1129.643721 212.5331035 254.8202773 359.0747306 1048.610161 685.2470284 1036.626558 701.5158009 591.5412096 1400.713943 3525.342358 3262.799368 4600.387775 1318.805311 1621.078696
6-{5-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-3-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 50121.17068 52538.53411 61429.52575 58076.41449 64233.24157 66387.15568 56658.53693 55940.49983 53473.38006 68570.9225 58403.90299 50163.32668 885.2928191 600.1053952 1187.852517 237.8476506 918.6314779 830.9142146 1016.777148 409.3807639 651.3606774 55.6367899 1424.379437 243.0357762
6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 291828.497 280533.0531 263230.8921 282228.5723 266018.8807 261162.5038 415144.8788 431359.2041 414647.3433 404187.7044 392656.9146 385053.232 806396.3572 794017.0749 760542.4797 760684.4439 777797.258 798849.0133 304396.7893 274225.0537 315107.9096 301840.4535 301553.0876 337242.7458
6-{4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 712.9441357 3055.464351 1312.488766 786.4669822 2555.414138 386.0386644 274.4738148 385.9792307 243.1167191 1198.07895 673.442487 33.86922379 12505.42776 3985.1476 248.1726695 15723.28685 776.4056318 13951.07538 1479.336724 1551.777667 3373.338515 1177.198647 1499.476867 1997.281103
6-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 35811.07993 40208.94939 35169.96026 38430.85973 32992.92071 34856.50474 48102.76598 46350.32301 51024.20103 49282.48369 40923.26369 40014.81422 1173.01583 1192.248947 1008.347187 1444.420349 1019.290735 1868.610945 560.5121379 873.4451429 1745.134019 1176.245259 626.348254 1606.189125
6-{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 3737.978311 2288.178383 3044.852737 3570.796569 1938.801492 6078.475264 30865.76035 21089.84487 21670.39617 31365.56001 35402.38374 29389.28469 12443.30857 15723.14214 15759.36167 17769.5952 17674.17691 18693.63975 681.5177822 171.5334473 651.4485385 121.7520221 11.03772514 428.1733931
6-{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 446.12435 246.9291552 250.720114 38.78277009 229.3392116 152.6164002 726.3809432 468.6846096 123.8056892 415.608539 492.4890308 71.03901138 5274.333363 5443.382665 5664.254118 5891.768327 7554.435345 6425.090805 6194.706708 6973.117631 6708.3015 7144.159825 6842.156666 7050.912977
6-{4-[(1E)-3-{[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 10896.4793 7544.024238 7602.150876 4856.795035 4807.495964 7719.67204 5010.931157 5277.811685 4953.628541 4375.935322 5193.050141 4116.748681 560.8579805 510.4139655 397.7487486 404.8726694 692.7282201 203.3134628 413.8834657 342.6513068 352.4639188 12.43993039 484.9588453 397.6746144
6-{3-[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 48819.85316 45284.44798 43712.44454 44510.53791 47817.91199 44613.21951 46724.24122 46585.53368 49729.84024 53600.52235 46669.87083 46519.34512 102439.921 114706.1969 94169.54796 121446.745 127059.13 112358.8629 127640.0239 122529.0846 133848.4357 122925.7009 125673.7288 129482.0435
6-{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 131627.0313 123566.046 119116.5803 132928.7767 123674.5338 115910.0557 68737.41378 68775.46365 70441.89394 67247.8597 86811.15198 67556.29843 3527.96444 97.31974507 143.2033615 5189.050045 4287.758938 4079.679867 4091.800247 2925.527379 177.9806585 208.66769 1994.550834 2606.135646
6-{3-[3-(3,5-dihydroxyphenyl)-2-oxopropanoyl]-2,4,6-trihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 1223622.507 1205693.182 1249793.671 1334949.682 1219629.562 1284203.295 1066412.593 1058922.642 997254.268 1121140.523 1196308.904 1126622.25 691.0570798 517.3636706 1074.945538 679.1062839 582.7047141 1214.326684 575.0656256 574.392457 337.72671 17464.0894 387.2230379 23140.58908
6-{3-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 15386.12841 8204.221193 19110.62902 14182.42626 14186.91067 1267.802139 374659.7168 379978.0008 370726.8409 376543.5815 395592.6594 375704.9181 279901.9973 286979.7247 285943.5931 298088.5188 277819.9932 285583.0777 213944.3162 207585.9269 220601.279 217460.3807 213141.7898 220109.159
6-{3,5-dihydroxy-4-methoxy-2-[3-(4-methoxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 43293.50787 41332.25579 41241.60484 42231.55278 41617.06846 40918.60723 16860.56534 18083.25371 17604.64012 17388.50007 16483.04659 15487.17662 2607.437055 194.638819 1238.812521 2290.273949 1482.682032 247.420852 1345.016401 163.2072802 1100.05148 1454.615416 374.096431 1707.334178
6-{3,5-dihydroxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6897.624722 7738.257675 7354.424714 7924.379023 10093.17943 9059.583967 7164.248463 7325.863751 8199.312704 7343.54234 8572.666821 7597.382484 27307.10081 25879.80801 29370.00254 24955.97247 24040.58104 23561.17356 38982.20358 36508.29299 35409.06964 42276.5495 43460.84182 41545.1603
6-{3,5-dihydroxy-4-[2-(2-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 183949.9848 160239.8581 16611.83856 68242.28386 3125.50824 147583.6817 364935.3941 333978.9365 517305.146 354382.1365 351931.9997 343841.1332 412716.1419 402341.9328 398157.4297 409039.939 400896.554 403041.0707 95853.45457 40354.32448 56186.57343 91583.03831 40974.76475 33566.84949
6-{3,5-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoyl]-4-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 2732.789767 5884.538686 2243.616133 2621.186615 2036.36667 3455.453673 1860.352822 2065.00006 2086.823615 2883.510187 2695.313406 1828.082946 53537.32 89601.76448 93803.47239 65308.17478 58847.47903 54965.63769 90832.9408 95727.34859 92503.84026 102959.825 95991.2325 98238.61145
6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-6-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 42256.82129 51222.25153 47554.60834 47166.14557 44024.7736 43007.6048 27025.08747 29555.73518 22617.86643 22067.89344 20250.55826 21426.73636 2096.637731 2619.532014 2583.03089 2650.269151 2425.863935 2351.310054 175.5772437 1435.900537 1307.95586 182.9860328 1687.377042 1128.742824
6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxy-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 88.30071353 19.38796844 49.92650435 37.77478111 40.58999848 41.73929884 52.62461566 210.431306 115.6111991 123.6611829 76.53358092 48.8308496 2274.217412 4183.838651 4311.300786 5381.859854 5361.430729 3861.463456 90.99785171 45.95823817 170.18854 109.9985643 189.3079699 24.81244034
6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-6-[3-(2,4-dihydroxyphenyl)propanoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 7981.800879 7309.757285 13024.41461 10272.24438 9163.796097 9545.153928 5543.146683 3458.379505 4634.546188 4335.922937 5067.825328 3388.567148 1935.358698 1342.749419 411.4128406 421.9801437 950.3905265 288.1686572 753.453044 318.9833688 109.2700243 982.9207677 302.9071602 799.4497786
6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-6-[3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 642.4040518 1986.610943 821.9079828 2609.083542 1816.604381 893.7628517 6713.145973 8035.035384 4595.203602 7628.683567 4819.439891 2291.36676 139359.7073 249058.2301 129730.6374 233228.349 238804.6975 232895.1781 78804.36879 74917.40361 41409.65993 39800.20589 40159.61005 41972.74821
6-{1-carboxy-2-oxo-2-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]ethyl}-3,4,5-trihydroxyoxane-2-carboxylic acid 31350.86966 34926.16936 31812.11144 17915.23287 11526.99354 33020.48583 37601.72799 32430.46143 30434.95752 32510.19517 30312.81333 30607.3574 1426.680419 650.961639 185.0391275 247.9232021 1117.604243 676.9823391 591.2585401 19.37119997 238.6697613 57.24646126 490.4992391 138.9239046
6-beta-Hydroxy-mometasone furoate 44130.06061 42439.37116 39265.5111 36291.52968 48354.17838 42590.70228 27060.85263 12415.44296 15416.09442 14540.21646 12901.05675 15665.81359 5461.054867 3915.362976 3117.876206 6601.815452 630.7327955 5677.804136 2492.540916 3572.68074 2186.838756 5167.787616 2565.625676 5432.346027
6-[[8-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 61289.38002 62818.95559 65884.29178 63669.46124 61501.17546 64790.89008 91576.53668 90602.24039 98221.37988 91220.41655 83602.87893 69024.20876 335260.2238 444026.3824 322267.5774 473383.8449 538054.3617 443453.4587 555485.5437 505671.879 532827.7728 506919.9015 502729.1761 544084.8782
6-[[2-[4-[3-[4-Acetyloxy-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 23267.44268 18461.87592 22333.49821 24403.12777 23134.95469 21145.43438 23660.83465 22888.16222 21307.62588 21793.57324 24937.37547 21311.38941 5136.261676 3371.738214 3088.424137 4408.104239 3116.296817 4931.421281 669.8085229 752.4831531 704.9748144 1148.465397 373.7586153 703.9134644
6-[[1,9-dihydroxy-2-(3-methylbut-2-enyl)-6H-[1]benzouro[3,2-c]chromen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 15617.42959 15997.12527 16496.43707 16036.15975 15148.4397 15722.12842 4222.030725 4751.816028 5887.921701 7869.144676 7825.737311 4177.348616 736.519909 767.1978139 630.7983278 645.3563793 844.375812 473.0842689 245.6413286 168.3050172 186.7150298 444.1993359 447.4166252 229.1643143
6-[6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 79553.39319 71715.8013 70674.92793 65821.34978 66842.64405 66403.34199 41243.35885 45968.33263 47540.50589 47234.31751 38575.18218 45184.8442 45868.06988 3338.244735 2280.235813 3989.055162 3892.809638 36428.07455 51978.5342 1183.719765 45834.17198 44718.82076 44831.56169 49915.95296
6-[6-[(2-Carboxyacetyl)oxymethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 262.0028389 37.30897843 630.0409252 547.3185765 97.16993049 67.3104371 1042.459563 166.8045547 613.0874436 733.1722831 23.60190717 118.9617364 5056.481204 6301.125105 5442.993436 6233.928019 5681.787289 6744.951681 775.9833321 745.7776946 1470.798063 929.777038 417.5000557 1436.258947
6-[6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 140100.5827 137800.1954 144278.2281 147819.2875 142669.1864 141447.0547 133320.0527 136752.457 118174.5116 145442.6178 152151.461 132789.9207 61130.98573 60439.01626 58803.5397 63354.64176 57347.25319 61196.25464 20163.65396 20672.34847 21630.00777 20063.52709 17618.93936 19928.43009
6-[5-carboxy-2,4-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 1885.021043 3251.433515 1860.021158 730.5932841 1413.097619 1309.774213 2966.67025 2533.555739 2803.704807 2666.272295 1764.653849 2319.664024 364.790135 173.50733 295.6066941 614.1659091 279.6969622 172.7615061 147.6817998 203.0809571 123.5528171 61.82246538 202.2334602 79.48560566
6-[5-({[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 7244.135849 12172.12977 7056.096099 7172.858115 8266.192213 7039.406095 82.98971228 87.89083057 51967.60007 1053.310998 945.2320908 51851.67013
6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 847584.578 889207.1312 854209.3241 895583.9613 808883.4977 820790.4998 646091.8517 653767.7772 626851.5912 597756.1014 577268.1081 534489.1298 54325.37319 208.6349659 959.4045167 54732.24342 58229.11797 2793.659014 642.9003802 198.7560743 151.339279 913.3716042 293.5910449 537.5914797
6-[5-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 5463.201116 10255.45968 3499.742073 10322.08831 672.2859227 11327.06159 31035.31433 34809.73823 26515.00523 32681.11872 38773.8727 32869.2845 10775.29032 12311.12777 10665.44918 11894.835 12548.33077 12192.35911 7478.325837 6401.80416 8222.822055 8501.779573 7299.797167 8867.149369
6-[5,7-Dihydroxy-2-(4-hydroxy-3-sulooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 6084.683997 361.3903283 5709.911355 6351.793671 12604.97099 611.5009438 11984.8226 15241.03639 8538.075029 14483.9466 11302.74655 14146.63107 9420.571619 10627.9869 9793.297764 11372.20473 10953.04093 11494.84771 12141.2279 14482.25898 13826.32968 14345.66984 14478.81112 14085.925
6-[4-[7-[6-(Acetyloxymethyl)-3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 613.348177 322.6600386 923.5979371 2929.338241 864.9744382 4408.396833 253.494458 39221.13938 442.5115119 37887.69413 1499.688333 38132.60985 3922.326763 6251.591254 18806.73646 3719.279257 14235.66044 8141.283894 40453.51738 44279.24791 58972.2892 45511.82434 35060.44088 43487.6143
6-[4-[(E)-2-[4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl]ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 19977.10403 19947.37416 19213.99956 19381.88667 18894.1655 18716.54439 8834.220474 9387.530743 9022.882156 9127.780182 9745.068814 8815.726829 384.1250449 670.0537218 87.06082722 94.98793883 422.7791989 638.8626749 82.94280465 469.7585144 135.5799151 367.8721345 80.64001071 214.544008
6-[4-({[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 1930839.852 1395267.157 1569617.017 1616404.151 1595209.238 1705963.355 2347068.393 2619044.584 2347811.121 2623152.273 2875310.172 2564175.113 2776.911515 166121.7888 462.6769541 155717.2231 211430.3463 1259.283936 138000.7993 101299.9318 102859.4259 101644.8974 685.6535831 132944.4008
6-[4-(Carboxymethyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 12484.61926 13112.82928 13722.02945 34069.88017 30895.10714 12817.765 8732.374385 8676.589555 9086.660324 8999.655985 8916.211052 21451.20776 29.31586655 20.4125104 893.23153 101.7365693 47.77381697 1577.5651 1618.399851 46.0365701 1089.592112 30.61888271 44.51672082 147.882612
6-[4-(3-carboxyoxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 100.6955221 130.1882157 7797.325404 2636.109596 6933.23112 2114.963627 385.0105134 7637.441644 6128.817883 344.0401883 95.14221835 233.719656 4490.603338 4537.351268 4461.63662 4567.993355 4402.421773 3475.575251 8369.361963 7273.402194 8199.999861 7597.803815 6882.182032 8249.286511
6-[4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 26971.56087 21988.45182 22106.24582 20424.14327 19723.62011 21520.87929 4448.813149 8178.000246 7295.305255 6753.053861 1751.968785 2056.895435 42936.84124 60678.61125 39377.77012 50543.48157 59596.60805 58739.45575 23051.67978 23277.9365 23899.14446 24763.28784 21426.25397 23390.50176
6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one 576.2411375 335.8499067 166.6898987 795.2847334 103.7374971 598.1828783 1700.198142 1593.122898 865.7597038 1086.346516 425.5732166 778.3268075 5864.121574 236.2902982 7340.880252 4625.267769 3840.05302 5009.031642 1488.456612 638.6050768 574.9861416 967.1033463 1469.499852 820.3583565
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-olate 214.6206543 903.61735 53.02410296 878.5099872 805.9508684 1012.932265 275.6410413 222.7556638 196.3855342 18.23570341 76.87032361 98.19189455 3189.011575 13684.52283 12909.46686 12478.19953 11479.18353 15475.31203 17799.74414 18893.76938 18518.38584 18698.59279 19278.52554 17749.91964
6-[4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 37336.86907 38485.10894 26527.26852 27656.27909 16896.60117 19902.11818 7678.327598 9729.460448 5192.165981 5573.773941 7010.076768 4586.747168 704.6017333 488.6353522 339.3615659 299.3788789 38.03965795 122.9501614 159.2525705 190.0896183 289.9291197 174.4296428 96.79427339 106.9570793
6-[3-(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 4115.659482 78.13490988 1729.818475 2093.421654 4060.464924 87.55557644 4035.538851 4404.261057 3511.507144 2000.316719 3516.6942 2251.293283 100112.3205 92105.40086 93780.71399 100582.796 104084.2066 111199.2102 5356.014454 1339.567546 2168.10422 5581.29456 1538.148596 5494.80832
6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 13358.95398 15394.15475 10888.54155 12837.93024 10555.58766 11448.87915 60710.05077 63243.46909 57900.6566 60643.72839 70165.79612 42019.2862 347.3659819 307.3880128 220.0207836 219.3223404 276.3537873 77.99996819 57.59133836 88.34388597 59.68827758 19.29026743 67.26318135 73.52658264
6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 1078.431935 1462.508714 1044.169719 765.1023062 1299.312783 522.8460028 1961.436002 2404.210225 1567.427691 2244.399856 2353.985734 953.5722087 25733.03777 26616.20621 26937.3276 21199.30609 24397.11237 26314.01555 59788.7274 57937.47929 62001.08619 60064.77725 58330.42824 62972.97508
6-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 302.5303602 41.92131103 877.9692742 1528.3297 335.2456422 2228.412288 1163.677614 200.0276945 807.425314 52.86784439 884.3612714 1031.781537 22061.07399 21093.45595 15947.79724 20242.01027 20984.29005 20795.64616 38601.52876 29814.64169 38701.49312 36418.59287 37295.99844 39106.35388
6-[3,5-Dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 1259994.834 1213000.582 1204937.058 1250601.652 1202268.856 1150801.566 1502022.168 1505651.085 1489211.841 1489090.548 1557713.98 1517999.198 10880.82883 13202.51674 17687.08847 50890.30009 9565.591163 14921.89312 11040.70469 11505.079 6527.384222 11039.46606 9826.897105 9027.495539
6-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 2058.142037 1381.243568 1017.924812 1953.940668 2776.536544 1476.869428 986.8315359 1249.054431 1611.62215 287.2039561 2327.753356 1071.198692 58551.06715 72972.1454 44801.76445 67443.99936 8214.518354 63647.43757 132780.537 118791.9372 137036.1907 136066.2712 127180.4791 132241.2518
6-[2-ethyl-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 1499.664041 1475.937545 1053.981859 1311.920322 1111.966819 1630.246813 839.2550336 758.9099417 52.4170089 755.4013174 594.1218845 37.4547598 144.5400013 316.8434417 380.9137975 910.7138313 322.8907296 314.9250692 1122.828482 142.9319016 92.90063401 78.50445475 133.1080478 186.8852091
6-[2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 3259.98554 3359.686433 2775.172842 3208.106521 3005.730476 2773.303196 627.3213776 615.2012682 892.0061306 866.2570243 341.721073 403.3396239 213.8743059 278.1869478 188.5726087 66.94889846 342.4450689 43.40395457 92.75158718 90.29262839 139.0411586 191.0613292 164.9572257 178.136005
6-[2-[5,7-Dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]-4,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 1873.905169 1483.532669 1904.072817 2343.891906 1636.991787 2312.454937 560.0850172 346.0248144 361.682952 221.2311227 780.4475784 379.1651722 428.9483112 129.1860966 164.8963023 470.6829513 416.2111151 203.023757 29.58981922 50.93926594 303.5660339 504.5855531 105.4231164 105.0354694
6-[2-(acetyloxy)-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 6520.576886 4754.216442 5398.813369 8065.461073 5026.623119 8018.034521 22450.16483 32849.90594 16103.6753 33718.40712 29955.0231 26218.94224 2176.636091 2087.058183 2646.318434 2095.096181 989.9452894 1685.073111 670.1573404 28.42574354 687.0848286 231.3317934 417.2225678 412.8275623
6-[2-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 7213.987421 5628.487809 6512.480919 6695.742874 6815.614357 7981.540326 5468.52357 7211.57448 3879.95988 4647.450477 7283.965927 404.3336874 560.0333564 801.4011008 396.637209 75.17979079 57.70277711 472.3787318 55.32878885 24.2342423 330.2798669 91.5515385 358.0135101 60.74724776
6-[2-(4-Carboxybut-2-enyl)-3-hydroxy-5-oxocyclopentyl]-4-oxohexanoic acid 24303.08012 22883.31692 24314.27107 25428.67178 25702.8052 25437.86988 12014.81561 12360.47734 12267.29719 12468.22274 15200.15967 14239.88437 10775.81114 11131.17337 10986.34584 11617.88469 11781.63321 10570.0559 2030.196627 1979.612937 2369.871649 1944.376681 2176.950333 2727.900553
6-[1-(3,4-dimethoxyphenyl)-2-{[3-(3,4-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 11248.84227 11595.25286 10553.58321 11618.93123 10550.2435 9968.776834 9945.265368 10440.44903 9694.539266 9959.97063 11117.12875 10116.4181 2982.443002 1475.88262 2004.463035 3081.168875 2926.658399 2254.978183 2459.836504 2184.466382 2048.687815 1216.082137 1856.23038 2750.360055
6-[1-(3,4-dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 102.7076978 4923.449636 5574.042032 6001.02259 47.34360178 54.67646219 8790.738561 157.8222229 7535.601229 6955.246384 6727.621968 1885.362942 51369.87599 52478.18586 49884.43945 46306.34592 50156.63989 45692.99855 141355.2662 139977.5973 143867.755 148833.8427 143842.6326 181997.3724
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 26043.16621 19276.26869 15920.43255 18313.02922 15670.89133 38922.22091 8224.221663 5960.947643 4746.427365 5190.894673 3820.489589 2994.973661 18980.13711 22030.20065 15094.41866 16265.81348 16273.51418 14893.41301 1433.677845 3787.082138 4055.033879 3523.343112 1598.005944 4286.706365
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 20144.00551 26244.68283 18389.20022 15566.19556 17639.44989 19845.55083 16912.74598 17805.45092 18946.61257 18545.1003 15869.44377 20489.59781 16912.78004 23329.35756 22695.73463 19016.94263 18829.48305 21705.16858 2930.928919 8801.399038 8682.708334 5907.522041 6334.910805 10527.51536
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 1382.03022 1277.836732 50935.97747 3103.367218 2786.187284 6034.848359 30220.30302 39737.37384 33457.53532 35460.21333 81877.26936 27669.94499 9714.897647 8024.404741 2213.592456 8480.320213 16558.77509 11484.52524 41444.39081 9167.496365 34062.74408 15674.58256 38321.59744 10372.48447
6-[(6,7-Dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxybenzoic acid 328.6451286 343.1587948 849.3530947 546.8057944 699.4235724 612.3486622 4870.465067 7275.806442 5070.944313 5227.229894 5227.406048 7098.062865 104.6332937 616.8896975 18.96032414 30.43013776 1105.048123 1311.798808 903.013396 506.6696808 368.9485354 424.1876462 392.706531 312.2524903
6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 41397.24954 38400.20428 31133.57275 102910.4205 58618.95735 58948.69409 87177.4194 79228.15547 66836.90198 83663.34155 95983.32162 88292.2396 539.2896533 852.9814164 500.5749177 200.5265893 523.4143273 1231.639404 657.1087468 7381.010988 178.7247733 5271.957643 3475.289307 441.6941473
6-[(3-formyl-1-oxo-1H-isochromen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 142.5493233 818.6162553 653.6804337 835.3955708 490.2737308 1162.78939 1144.958654 506.0879448 520.2783837 281.9674665 81.19939426 153.1097215 11085.14897 23476.79924 11119.76157 25750.20624 24702.70187 24700.60819 810.0107703 1887.734413 3210.265699 2752.632864 1527.86203 2582.072514
6-[(3-Aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one 10166.56744 8584.032985 9135.031638 10452.38295 7476.573641 9479.933367 6096.416066 7066.050046 8272.677411 7211.198378 6989.38873 7026.318899 474.354096 629.4058274 228.2643759 304.9451872 171.6574838 548.5522465 1783.314054 453.6228614 1691.251376 691.2686038 1127.827949 971.1414269
6-Nitrochrysene 3169.419814 4293.339735 1069.842422 5208.802484 5764.253215 5218.971221 3636.59985 9128.605197 8276.187678 5884.913552 5186.598732 8588.944483 9492.792281 20223.08701 28269.76475 49101.32494 16439.7797 6082.15089 28906.97755 14688.80303 24564.57552 26945.54376 24273.62476 29227.70959
6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine 1160.998499 1002.044957 1430.832469 1271.534592 667.2051478 749.6720643 1505.668358 789.8963241 951.9733588 303.4401607 871.970572 135.7325204 10273.91628 9750.885068 10790.71634 10151.35047 10267.66753 9673.793562 13768.83956 12224.49701 13856.60054 13420.11639 12840.56801 12837.34911
6-Methyl-griseofulvin 180608.9322 142138.0023 176582.0149 325815.3456 303226.7878 176755.8203 148648.4663 155225.3254 157326.6707 163001.969 136347.0592 140631.4842 17623.54749 16181.21449 22496.75345 809.4410064 11201.58418 21139.05006 20580.26454 16457.0493 21983.44601 16941.24722 15445.32098 15389.49089
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 13327.98489 11854.62902 14467.02589 11515.77797 9960.121014 8529.698017 16446.84189 19205.5028 18684.89249 16803.67163 17681.81083 18244.81626 4594.295995 6813.324908 8346.738225 5062.301185 5342.807837 5423.732308 2528.313788 2451.229045 2748.581235 1093.574755 2336.922543 964.3875417
6-Hydroxyluteolin 7-O-(6'''-O-(E)-caffeoyl)-beta-glucopyranoside 73436.20567 74231.88253 64434.41162 69808.75741 66842.98898 72742.48601 66688.37615 69329.61128 70094.9189 66872.47507 67203.50889 67582.66991 918.0863756 1737.357894 3863.536084 3616.433961 4216.964525 2132.240683 693.9158965 1065.622153 2453.53434 904.3061501 878.4264593 1260.033412
6-Hydroxycyclohex-1-ene-1-carboxyl-CoA 940.6179894 634.3814153 132.016772 684.900757 74953.55992 4891.681829 1163.965 3047.686248 1561.984274 1514.201486 1056.465279 653.9938416 153896.4186 163345.823 161494.1576 146304.1733 144980.0073 154851.0077 275011.1955 252006.9195 303118.6695 315330.8316 289959.961 302210.0166
6-Chloro-4,5,7-trihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid 653.842442 271.9064868 295.7207252 319.1558759 374.4903385 163.5923801 142.5376952 44.90794102 77.83988294 171.3643388 310.6114866 314.9243425 241.1135387 2314.017321 2110.285275 2319.894763 1923.85276 2317.834821 2703.706431 1991.434103 1896.182625 925.9515574 78.26823185 1901.352473
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide 169019.1428 166259.3842 163076.5907 165209.5541 154739.892 157547.2777 119124.2408 123552.7458 118926.2372 123845.8162 106507.6596 102498.6018 58162.39159 63521.79643 63149.38443 55147.89443 58878.76893 59000.33423 33694.51654 30574.86368 48033.69288 31691.32014 46311.66286 37585.90868
6-Caffeoylsucrose 4658.18217 3775.184497 324.9861478 5570.119841 3088.986079 6577.273148 10326.93211 13251.76971 6419.811322 13292.3168 13475.80047 12254.16962 36238.15538 33373.39544 40017.71343 33466.75871 38852.46016 33308.72775 1604.028211 1942.998119 1929.738412 2611.259547 1389.146992 2487.225853
6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 104990.6703 122407.4851 100410.007 95193.20462 87693.83938 91904.79955 107996.3635 100462.9493 110428.3708 107340.9561 98579.59442 98365.66383 273.0146605 1473.101146 285.9492981 156.1009387 304.0132682 672.1696282 189.7824289 355.2753405 3396.782754 610.0907279 1074.245265 403.368186
6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 862.1269173 634.6113219 704.8305945 2260.722717 892.3545166 1311.417605 850.9581619 1172.973085 2217.705411 594.895362 324.5188695 1155.67449 6748.78594 5949.869596 6354.935696 7781.164333 5258.560241 6048.405899 658.670594 625.4525938 703.4450124 795.4229744 1019.606859 841.3730115
6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 18546.95248 34606.31628 16009.82793 37127.34653 16666.21079 34596.18977 28337.4928 31003.05922 32753.73398 43204.8954 26015.48378 41010.77129 49355.79781 29749.36744 33337.21827 20112.60434 19234.03282 59185.88782 24575.22616 13171.43319 23798.67669 25090.39486 23612.16962 22646.88678
6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 11389.12434 11306.60728 10862.44471 14444.88936 10877.11366 10353.28549 78388.77054 77897.20298 74178.39713 75997.1657 83273.99427 79043.36861 129.644486 116.5194231 61.27754019 19.43170014 8139.433892 124.8827099 4416.483595 4046.056163 4190.674328 5033.569759 4129.121654 4814.740338
6-({6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 206.1741376 277.0687351 159.9262707 234.4687965 216.15636 182.5336651 504.7717825 126.1002915 610.889645 118.4128247 947.7862473 296.7571225 25834.45874 37503.40196 40712.02523 23458.37887 45031.62786 12732.44871 384.5343883 157.0302135 1720.479928 720.9451791 200.8984444 362.752077
6-({5,7-dihydroxy-4-oxo-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 39548.18608 40353.72404 36267.1388 40972.28993 68775.32941 33751.82592 23872.38169 28325.01396 54868.62001 36699.66726 23716.29309 43117.42931 73151.59138 107282.4873 105125.2018 102821.0854 85828.27678 111239.8227 107791.6448 100008.4902 110663.2019 109746.9682 107780.2196 123098.7463
6-({3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 430238.6555 336778.4135 542177.9368 665096.6507 294805.4216 400620.0003 116935.2233 168126.2606 122527.2543 221001.1452 209619.5883 161457.1279 2385.433049 6976.714594 3929.261755 2856.089935 3953.937722 3697.081687 1104.7346 964.7686311 2444.29924 2530.244185 1765.713863 2267.712046
6-({3-[(1E)-but-1-en-1-yl]-1-oxo-1H-isochromen-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 103861.9634 139174.6503 98217.59226 102787.5519 147679.7327 95821.00658 45346.38662 53477.52512 28459.08018 38435.35946 42706.93306 24836.08689 748.0748694 2341.905418 226.1315233 2722.716055 449.4745459 2313.475214 422.1444301 21.23650428 113.0152112 48.38234331 328.4268638 101.399701
6-({3,7-dihydroxy-2-[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 74.25084219 159.0108645 1813.435798 678.330063 23.94183091 310.0133155 1959.115485 3014.133489 115.2313227 1810.738995 2020.170949 92.89851304 17236.11161 17131.84456 15106.02119 18357.65062 15474.05806 16202.19397 15350.39196 12258.74046 15530.9368 14787.20029 13346.09861 17312.03367
6-({3,5-dihydroxy-2-[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 232440.954 226592.9872 225715.8608 231731.6531 221583.6693 211789.7013 220114.0809 221543.9851 217963.4371 220206.7928 227421.106 215240.2827 13484.50772 7960.52135 9676.01762 130.6763515 9633.408419 7551.107133 5480.042758 5476.479507 5007.246052 4509.775628 4343.128147 4709.599835
6-({3,5-dihydroxy-2-[3-hydroxy-10-(3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 1661.949175 409.3465111 493.352191 687.7618185 1009.512902 1137.117203 1226.4126 179.6720248 612.2999198 340.3887224 976.860449 526.1802868 7374.379658 21604.56796 39896.39361 39524.32896 40867.23695 40021.49007 3594.473808 1107.096857 4822.077341 3300.126875 2155.245867 3450.405035
6-({2-[4-ethyl-3-(sulfooxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 553.0232126 609.9244703 755.5239994 439.3314307 567.2005778 637.1061809 374.7698934 492.1528776 420.0935541 15.00506183 427.7252777 510.4825095 1375.977683 1316.463896 1302.862545 362.8579302 297.6514351 828.1422358 342.41071 144.8397364 336.7069481 371.3436269 130.7541697 333.6195508
6-({2-[(2-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 8157.751533 9363.571484 10033.07488 10098.68169 4221.151026 8313.180912 11148.11235 7616.987733 7482.278707 11877.59032 12375.1274 9039.607083 4327.017285 1365.699968 3347.176181 3157.53859 5134.069781 3016.657784 930.3456729 965.8512317 894.7330311 460.9587123 2956.657284 2750.355156
6-({2,6-dihydroxy-2-[(3-hydroxyphenyl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 293848.0158 276400.893 302957.7333 307422.1561 278581.7257 303152.2531 343676.4407 322575.0401 366321.724 330299.8378 362432.5604 355405.8924 47234.76353 56204.22779 48848.56535 43577.50806 36790.27146 13191.57613 1257.338886 196.8636839 435.2479805 1144.322932 825.5326537 1391.817353
6-({13,14-dimethoxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 22554.57882 14915.86465 27293.27973 25271.49519 29280.10204 26931.32436 23659.31054 22034.97023 26789.76372 23948.56856 20032.76783 20708.08004 242.3473533 533.1817075 1587.073996 728.8442261 190.0111469 572.4612181 106.1516141 36.39490615 94.44097144 52.5031947 39.42795461 123.2868945
6-({13,14-dihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4375.085206 189.7901936 4101.643635 3808.711385 3734.825612 4241.677485 2578.838923 3353.842042 3383.857404 3917.041024 2736.030612 3044.340097 34338.05348 30027.16908 36742.59204 38941.96891 33331.69523 32594.40267 28919.25026 26593.27545 38286.2508 37018.56534 22715.71168 20926.46263
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 1019.969989 543.6890821 938.8096244 682.0914467 943.5717609 46.46792724 943.2722743 850.3099552 692.0703442 97.00000366 34.95239031 126.533381 50985.29345 40754.36494 38872.26455 39333.98054 44335.25361 41638.2794 27285.89225 25957.78649 29855.63403 29383.702 28138.49193 30350.80417
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4591.863111 8755.04937 3945.285612 8141.625432 3747.796163 8034.638221 3797.3224 13137.89125 5549.656834 15315.65413 13819.42772 11634.58605 6006.470155 5126.74518 8976.398803 5103.224236 9508.606309 8218.849463 7904.940787 9513.783628 5239.197027 9051.867149 8958.702016 9543.824734
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 8347.803522 8668.851843 7846.182885 7609.471472 7388.600779 8619.608258 9182.019337 9089.55185 8320.310294 8744.810208 9157.794928 8801.167551 14590.06896 23828.82583 14628.61566 17472.07743 24039.48368 23001.41228 16240.23501 16854.17171 15295.18279 17689.19582 17856.37561 16393.88522
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-16-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 298298.815 219192.4098 297239.4082 299391.833 5256.66836 308924.9419 335511.1596 355778.4594 358682.6693 378088.3889 351668.371 342506.9043 4800.336853 719861.7334 576628.7479 702606.6746 716867.9911 585140.2409 716839.6228 808768.6726 790552.0951 806819.0391 811620.644 602946.056
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 3899.986833 9503.303836 7338.904236 7860.050781 10118.3676 9850.844311 1285.947477 1597.403187 3768.618005 1081.089505 665.618854 1100.634836 470.4048886 632.7300325 783.9118977 561.4225827 496.9274025 626.5192104 394.1982889 474.6078334 484.395633 322.6185419 75.69638843 275.443288
6-(5-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 81.76130609 123.570077 11.04968712 27.04190044 86.49407028 53.69012143 421.3466968 131.4794176 102.4262348 114.9864392 276.6534338 22.97001293 8582.756438 6103.461926 8302.455424 10337.92319 15175.86197 9835.983157 16.8329338 45.10233241 96.33009148 503.249285 69.10074874 106.4542103
6-(4-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 56775.86657 48962.9424 54118.574 52285.23507 53996.0499 53504.15329 16364.68265 20375.64429 20090.86712 18206.06849 9348.95149 16698.36405 709.7223695 1108.683065 1588.089555 936.600886 3159.941135 666.1334065 1246.32907 423.764901 52.85626 767.0550754 309.8239399 343.6125381
6-(4-{7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-4-oxo-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 42665.29774 64978.87644 76994.54291 47446.52292 44036.94283 68820.18544 67587.65956 55178.85814 65251.4685 55766.72772 72607.01752 70775.33324 34900.45187 18941.46504 16345.20752 34653.31015 13307.52829 58937.55579 53695.50976 47492.01248 50215.26619 44876.37802 47291.64623 44036.31318
6-(4-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 815.3670132 615.4050931 655.3147547 792.8278081 632.5380682 539.0975196 195.1029223 255.6680736 218.965527 266.4382864 69.83713992 82.94910638 103.6065898 7.051913122 2.636616587 2.050693484 9.634421659 12.26936552 4.35252914 2.720306367 9.98145694 71.60731983 92.41249393 13.0366611
6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one 13560.73793 28980.91503 118454.8314 8888.386418 21182.25415 10379.96806 27066.9888 110610.5456 155804.8701 279650.94 399507.5699 530158.1157 3770896.112 3177456.769 4201247.175 2852428.768 2980172.506 2725414.172 2071597.366 2500220.202 2817566.761 3045856.273 2480537.567 2737411.786
6-(4,5-dihydroxy-2-{5-hydroxy-7-methoxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 621.693914 891.8012489 366.7400654 268.3257407 201.4899755 296.7798744 206.3965693 478.2138167 179.4484666 47.65075903 249.5637093 121.8332348 7793.172102 10154.31744 6249.054253 13271.02212 14508.43924 10344.04287 4705.929165 4443.959713 4675.437836 4654.239275 5091.821437 8000.667306
6-(3-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 16273.64448 10894.05185 19993.45409 18020.1622 14040.98314 8499.778897 12842.28526 7524.575779 12335.02219 9528.087505 8366.829513 7462.408582 4330.572327 1553.774183 4111.3761 2299.584187 3407.344386 5078.948822 3234.987854 892.0766951 5515.94025 1141.650289 4597.61369 893.2522186
6-(3-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 12716.3102 18542.18977 14800.88772 14640.47843 11378.38404 12176.37312 10372.33194 10148.45484 9666.415037 9412.824634 9077.608566 9502.102246 25792.61488 25687.00799 24548.55936 25221.30401 27429.73538 23067.37908 7572.368145 10015.24162 9333.762563 8938.821714 9630.675594 10119.92622
6-(3-{6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 1776.533142 2665.721162 179.3410337 1813.432523 1748.971971 1964.783586 2778.031834 310.913542 288.6939193 3880.067464 3857.270168 2981.796129 60071.34695 54375.76704 56190.05239 62069.27169 63713.72004 38666.38855 1588.611529 1599.464968 981.6488105 1005.745959 1401.486575 820.9523728
6-(3-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 21828.77748 20104.40037 18532.12147 15001.41781 9424.842703 13513.07061 10932.97496 16655.38691 15049.95004 5504.310547 14541.52946 17996.76033 428982.0367 440069.6632 416728.2024 444255.0811 444287.1077 450958.0847 196576.3695 191286.3589 197593.3517 205923.4341 202236.9778 217393.2047
6-(3-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 3514.537178 4108.014284 10826.95065 8453.279008 4100.521224 5101.666381 5241.157107 7641.797538 4066.314502 8238.004775 4264.529795 6691.06407 48350.99788 52113.47957 52290.15538 49821.24936 47760.12962 51232.29689 54589.81909 53329.34643 36409.29135 49118.98265 47479.94813 34244.47388
6-(3-Ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 95052.55654 100462.0615 72354.46456 90714.35191 3764.551751 41226.56999 400923.1566 36875.52644 92445.15208 65182.33826 316537.1216 100034.1645 3184.035562 4959.865494 6482.179368 2889.66678 6052.90283 5307.835468 71404.48553 65393.88219 16537.60213 19814.77227 9389.005855 15190.66337
6-(2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-3-hydroxy-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 1048.657641 333.9605295 997.0866898 238.3451525 138.9985487 230.9659501 166.8694482 224.2885918 244.405442 260.6545769 256.6578942 320.413785 1518.507091 1419.828996 450.4066345 1034.610624 1192.466981 472.0884072 6389.109594 4838.636112 6714.442951 5660.706829 5851.585058 7256.988552
6-(2-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 408106.8815 374882.8959 373549.8667 426530.4627 388360.234 397457.2844 598834.0618 437249.1763 417962.9007 442947.3209 513490.218 469217.6595 80.02387529 14789.86863 2123.805464 328.5559344 865.2425837 1328.677308 11117.04508 9649.119133 7032.162258 172.973813 8066.224853 1070.804547
6-(2-carboxy-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 4945.260456 315.8517756 203384.0019 14354.74383 195947.0809 203830.7732 1530.902818 228191.0424 204.4819534 56.21204657 237493.8539 293.3273133 8453.462631 4822.013478 5256.190949 7277.923943 6430.205214 6755.836863 1505.118425 1666.916024 878.5883395 532.6986303 830.3946309 3257.090208
6-(2-Carboxyacetyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 772.8446298 904.8951036 882.9646388 996.3717585 1429.839151 1056.287866 192.3542774 471.03744 263.7106839 197.4270765 212.423045 258.3958475 8552.188836 5972.014704 7494.631437 6529.871994 7684.847093 5541.117345 8927.00899 4100.468301 6803.318524 8336.318482 16186.53619 15938.01595
6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carboxylic acid 113518.3101 116742.3141 111670.2472 112897.243 101450.7581 104189.6556 107828.6491 109651.3624 99563.60257 104881.6866 101908.1884 90562.85925 3962.90834 3313.162034 3413.485483 2349.712337 3778.991225 3186.83124 304.1780158 269.8787487 50.44623036 66.09277497 436.2391468 445.500932
6-(2,4-dihydroxyphenyl)-2-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carboxylic acid 2911.885324 2913.614544 3167.496016 3113.974348 2788.651917 2651.95339 1185.917565 854.8581726 949.9074288 959.8700199 869.7383411 804.9162653 299.5928042 302.8856483 93.04573311 111.4846009 190.2671028 225.8015594 25.58842895 73.54452723 43.5321644 46.71714824 11.31325498 73.68643828
6-(2,4-dihydroxy-5-{5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 27200.3566 33389.994 51362.94757 19418.13724 58978.5905 38051.22017 39991.17588 53598.24887 54369.2509 53117.81157 30729.50384 25129.24564 117844.597 114899.1218 121465.0354 111490.6828 116133.8471 115586.317 102039.0851 63692.168 62406.39126 67201.92558 70069.12447 65000.69645
6-((2-((4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile 207.4158663 24.8355395 170.6377462 38.37824018 185.5081455 32.89341653 493.3429267 469.4206551 170.5918504 469.4017264 352.164354 291.8404325 1184.311597 514.1539591 541.6014737 199.6884326 1000.181429 631.5547347 1594.008536 19.10567718 1053.23381 1730.999783 919.3076655 2334.138632
6,8-bis[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 3273.173599 6032.886866 69.44792872 495.6671295 2698.524147 210.7263941 5117.629422 5033.23038 356.2594966 362.8975138 1821.967625 514.728524 90825.32377 99092.19608 89840.54402 108626.8863 103815.0945 102795.0124 130881.5593 119318.552 130608.8491 128003.55 123152.4193 134071.6805
6,8-bis[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 206.622349 1004.107902 688.7534353 381.8718784 1786.727976 681.9421516 614.4028692 1211.291652 513.5354232 139.131023 587.590062 560.1657674 9403.120349 30845.50757 31961.20696 28778.9442 28053.65956 28569.42435 68157.85406 67202.88402 70671.91668 65871.23187 65337.89353 72798.8434
6,7-Dimethyl-8-(2,3,4,5-tetrahydroxypentyl)pteridine-2,4-dione 474.2933974 947.7916051 23.5213714 615.5843735 505.0721468 535.8407034 405.563239 616.603432 255.9635374 427.3888843 680.9950752 377.0199999 13013.46851 10271.80912 11347.82273 9947.768982 10463.56149 7677.03887 26672.57161 28503.25754 30777.37426 32959.57116 23626.68656 29975.78385
6,11-Dihydroxy-10-[[1,2-dihydro-5,9,10-trihydroxy-2alpha-(1-hydroxy-1-methylethyl)-6-oxo-6H-furo[2,3-c]xanthene-1alpha-yl]oxy]-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthene-7-one 3454.948164 4548.468778 2985.272263 4253.727641 4570.002991 6216.738235 1667.74721 1390.624715 2085.249627 1150.990976 943.0737214 2143.092685 5915.077837 6170.089267 4297.668036 4726.401295 4132.72017 4692.215436 1043.117793 2133.611705 701.8724938 1910.12451 785.7668472 1046.739276
6'-Oxogentamicin X2 208.7028302 252.4006427 242.0861179 219.7870699 258.1062255 271.319133 173.2181568 84.08404284 316.13351 68.6322882 94.91799181 98.364757 2682.76817 3374.498236 2115.094256 2381.441354 2038.735864 2615.745323 3638.375785 3417.970854 4292.925025 3480.758205 4016.823322 3751.311292
6'-O-P-Coumaroylgenipin gentiobioside 21898.57419 21690.58518 14361.53633 26362.46148 5438.535109 19733.61331 15741.50148 13540.56118 16867.05888 22413.69506 20439.3064 21736.55789 320.2361921 227.8619585 135.8115233 266.2342329 299.6467259 509.2964166 626.6760229 166.6973113 157.1636475 692.0698312 206.9895385 571.4858108
6'-Methoxycinchonan-9-ol 157.4938197 878.8300593 253.2593647 249.6327817 239.4611572 40.03497767 481.081372 722.9065132 787.9178328 898.4664224 756.6171183 593.5903222 801.922126 378.0802786 533.5265772 611.0358922 382.8028954 1443.59519 3607.988531 2980.922419 3125.886573 2555.863809 2705.792225 3386.418556
6''-O-Carbamoylkanamycin A 340.2319821 208.3807731 266.8661646 401.0479727 516.0650876 359.6450637 592.8237414 693.5028845 962.2654423 140.9139364 575.5551907 591.5640854 4870.360172 4382.641087 5674.340207 5361.732245 2465.770432 3178.825871 12693.6763 8586.328694 9994.872824 9703.624905 11121.1096 11637.81302
6''-Malonylcosmosiin 1263116.755 1262569.696 1249419.775 1340405.046 1250031.924 1211187.534 4106084.653 4276113.774 4212194.827 3788460.13 4295776.461 3761540.795 7790526.044 7899087.313 7262643.952 8231361.183 8015771.646 7498846.851 1896649.53 1704112.146 2037957.072 1924417.187 1853481.519 2106543.948
6'''-Hydroxyparomomycin 42424.758 38452.46946 41904.81218 41158.58721 38575.40995 42714.24453 30955.63652 28164.4845 20013.6783 30906.75484 25490.34637 25743.18555 2484.566819 3127.791607 2662.478761 2386.830782 3625.482778 2869.115441 3540.500326 3011.900506 3302.312095 3834.853617 2523.920736 4234.96876
5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B 3475.99167 3562.315459 3939.424788 1545.250632 980.4924317 1697.188955 616.5038601 1488.281274 553.1473486 447.8836509 1461.331872 89.08745388 34714.29983 35306.51449 33542.9712 30707.28456 32994.58991 34140.23888 8684.781436 7477.384604 8429.361902 8280.633054 8710.168817 8829.350953
5a-Dihydrotestosterone sulfate 11522.05742 10180.55691 10521.08424 10932.42581 7489.49838 9844.74984 12668.30053 12538.66468 11567.48228 10605.00981 10524.81459 10374.42721 1759.727694 1080.665921 1429.732066 2169.420888 2834.729361 2505.957669 935.6079896 1384.990613 971.1621797 1060.932292 1545.339004 1177.481559
5a,11a-Dehydrooxytetracycline 133164.2294 150466.3432 136782.7716 147994.8555 142596.2937 132064.1187 155522.4677 121460.0999 69211.60102 107114.9343 160548.9033 149279.7333 22979.99643 134356.2341 181369.032 192038.2865 103468.7629 56366.63912 15314.80009 33746.45903 38137.36786 33901.4371 32974.96922 25833.07731
5a,11a-Dehydrochlortetracycline 2173.300463 948.8677252 1325.470443 1538.316068 1454.089299 895.7479703 795.1709426 2063.772235 981.9913358 1759.47842 1998.627912 851.51372 9110.87613 12097.93869 8654.233946 11237.4946 6075.904026 11245.08923 3272.069724 2895.065707 3082.730873 2252.110216 3278.398336 2840.795684
5-{[(4-Chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid 124.3259767 184.8250385 351.6500613 86.88001596 201.3869669 92.05167937 40.19907917 62.54381575 134.3084255 114.2178179 134.9900304 90.48779585 214.5737153 201.5019668 107.0857305 139.8405101 277.3972299 116.8281747 34.39902332 136.6988253 138.8647617 116.4232784 168.9687217 20.60737223
5-{6-hydroxy-4-[(E)-2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-1-benzofuran-5-yl}ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 702.0439981 934.8121768 554.4002269 593.5112189 512.1219117 6.496112251 10867.95153 10678.55667 9639.313449 9285.369641 11230.28475 10615.76497 1115.347306 1227.08637 724.7132014 972.1481042 240.7632721 1189.901672 133.3740209 135.4234849 70.88687429 331.572487 119.702339 17.39541858
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-7-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 18795.40671 17567.13829 15768.01601 16672.90158 15522.31527 16772.33758 38286.30921 37385.08158 35936.62562 35530.36335 35495.37911 35387.78602 268.4993606 438.5496893 1165.817552 617.1317343 3450.623017 625.3809091 865.4336233 177.2102878 424.0852198 285.5040508 124.8519225 3714.876922
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 235970.7358 198855.6436 201256.8889 191149.1349 195703.0773 196871.3063 196675.0046 214168.8709 261466.339 177043.3359 230668.6628 204560.8063 41.98749996 97.5548242 88.13212544 18617.18272 20394.57058 19868.4118 10896.7776 6414.164515 12572.81662 10720.99563 6633.89775 14.96583346
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 93019.77813 117540.5022 106556.7337 91889.49577 86056.14425 97963.76123 94445.67335 79927.86927 79553.72007 169137.6711 88076.08347 166697.5446 254.4176905 42.68447949 10231.82147 83.15115404 18.70362183 167.4662011 45.15774561 9002.059428 27.71835639 78.94502559 9518.503194 143.3384087
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 4095.223572 10458.96784 8976.094969 1934.21755 9123.598466 9323.304937 69781.2269 21544.22653 60074.73805 18526.9205 60063.57456 72469.60914 7061.429581 8107.337464 7538.323791 8507.2048 217.2919314 8110.10505 822.0390204 1073.388895 12.56645858 1236.009584 822.6062702 1212.935849
5-trans-3-oxo-dodecenoyl-CoA 38516.16063 36700.23085 33888.39272 39372.49606 32547.94472 32593.664 26761.26161 26224.67874 27207.72912 31545.74204 31745.02528 26249.67164 67231.44032 68576.98069 63440.83554 65338.44636 71322.17639 66698.7213 17593.27129 14161.49592 17068.82992 17539.44105 15635.82106 17004.04473
5-methyl-4-oxo-2-(2-oxopropyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-olate 3100.340848 2903.654545 3862.304183 4890.908703 2573.842987 2799.267514 7292.05469 7108.370147 6449.392924 8819.008011 4503.101481 9265.480584 2013.356005 228.0474826 142.3276029 793.4999641 1288.898737 842.0191081 1206.91252 428.5992943 2019.148396 878.34379 1035.848814 1428.124048
5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one 3625.391761 13416.96526 3743.196166 3233.390762 4074.265306 4200.952722 13400.73341 19186.41603 6688.857473 12527.3349 20206.38296 79116.23767 243291.3436 241930.5955 222177.1282 249171.9468 122515.3264 246194.1516 110055.3681 72989.20327 116835.0076 117550.3349 113329.1794 118399.3391
5-hydroxy-6,7-dimethoxy-2-[3-methoxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one 22563.02378 29522.39459 9118.598584 9235.924898 12573.53199 17065.13264 28456.13696 32419.56481 30685.16877 30416.21848 25856.43239 21899.42877 1832.391799 2147.50992 4203.60812 3289.685799 4388.610623 1554.158054 4984.661047 3041.740248 7457.776957 9993.157582 8448.269787 3497.573861
5-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 90313.57675 94782.37605 95325.3331 93449.42364 85749.66353 88551.52154 75484.55781 76501.66315 69572.86471 74829.46817 70590.5153 70533.76966 4059.560218 90.44429649 71.56035085 4619.665818 5234.240462 4079.995395 598.9631927 1135.494265 135.665171 2160.577223 1669.015109 957.835076
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(-L-rhamnopyranosyl)-beta-D-glucopyranoside 887.2570654 958.0689417 935.7913095 987.9041337 251.2338582 48.91494664 658.1757018 316.9252259 1123.63517 411.1676541 108.8423789 856.0085849 9875.851238 18533.66276 12337.10152 26796.89301 28178.69131 20719.6226 12972.32436 46945.25756 78773.65996 61679.91131 65542.69134 54010.05305
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 2969.784846 2339.045842 1428.753014 2563.966284 1196.415977 3109.952119 2640.770395 16791.43724 7860.563139 8306.724445 5815.54969 5011.453659 59585.24681 34887.17008 4801.62826 23890.66559 35762.01691 48526.22628 16665.51551 15213.75645 7238.266103 15683.25186 8318.040934 7655.788552
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one 4065166.666 2123125.819 2091069.404 2100329.063 2000676.093 3776884.894 1464661.756 1413286.551 1428072.702 1428677.987 2633002.984 1427546.065 33104.63305 29361.50959 51118.56288 32193.57663 9545.984768 31859.46895 15723.11673 8371.570788 11964.58069 9049.643495 7338.854282 12952.27782
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one 247.7946016 1452.494762 1614.308079 1759.816503 585.5135705 1446.451421 284.9846131 239.8004254 3297.911126 4257.969569 5786.040138 2321.021196 73088.19989 70074.12992 72586.84672 83201.57761 64865.82597 113147.818 93011.15047 79984.31999 85038.08514 85301.17765 84584.35704 85658.93549
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 983.9559264 1421.449631 1884.339223 2224.022118 1950.966758 1713.044938 1060.587425 185.3192675 1002.559078 420.8223865 561.0646779 1188.942499 16195.19999 21256.87345 20387.68292 18142.88509 21639.67597 20686.63184 9749.13603 9727.288563 11530.94932 5372.825967 4917.952372 8512.102191
5-fluoroindole-2-carboxylic acid 73293.09615 70155.94311 71574.28299 74040.19303 67157.85681 68495.02025 56324.8916 52851.45796 56646.7153 55258.39743 57441.15284 58012.57446 35586.57052 35712.02222 36346.80621 37290.17664 18277.99743 33766.87191 61402.85841 44250.71941 61854.16735 63647.20527 62390.61518 68836.70128
5-cis-15(R)-Iloprost 18623.61328 19365.52453 17860.27168 18279.05111 16845.48742 16981.73573 23789.47929 25001.2865 26800.46991 24235.34887 25460.70433 25710.08948 214697.6764 204908.7213 192303.7025 206003.9257 214396.5787 174729.2957 275526.8153 287427.7121 285187.3697 306891.1699 310546.5881 271565.1267
5-[[(5S)-5,6,7,8-Tetrahydro-5alpha,7beta,8alpha-trihydroxy-4-oxo-2-phenethyl-4H-1-benzopyran]-6beta-yloxy]-8-[[(5S)-5,6,7,8-tetrahydro-6beta,7beta,8alpha-trihydroxy-4-oxo-2-phenethyl-4H-1-benzopyran]-5alpha-yloxy]-2-phenethyl-4H-1-benzopyran-4-one 830.4577648 514.3926028 697.3462923 1068.259439 2122.413064 5092.665871 9820.215272 11044.34794 21542.0822 12265.48978 12414.25135 17751.11126 96101.14782 85775.45903 85193.63736 99478.82826 104705.2401 69919.09113 2826.752914 428.9640567 996.7037453 936.7229621 1743.152698 1531.219274
5-[[(2R,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid 18154.81008 18058.58827 17609.83247 15667.69759 15902.43348 13908.91972 10309.67415 11101.90055 10199.02068 11338.81141 10628.29137 11263.99057 32404.57768 28263.2332 31566.41449 30247.63467 32341.16845 29780.21719 17830.81112 18655.28346 18515.46504 18034.97518 17616.48583 20774.00745
5-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyl]-3-[(1E)-3-methylbut-1-en-1-yl]benzene-1,2,4-triol 99292.82617 113447.854 178060.4708 126664.7264 115593.4359 166341.9287 54393.39214 54275.35827 53429.36758 55768.10235 58215.7408 55951.02447 301.3452473 407.3345956 116.1738112 225.2854861 204.0816341 514.1156071 2899.998712 33.57059553 1746.281689 50.70557405 91.12827038 133.2851895
5-[4-(5-{2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-1,2-dihydroxyethenyl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol 325.3273782 5926.795037 1609.797321 442.8246506 543.4031052 38.74430931 17376.11871 16496.67596 15875.19469 17146.82539 13411.84915 14143.89519 160047.2837 153582.0473 169784.7785 159360.519 159308.4793 158265.0139 2041.936528 2187.082922 1260.523445 1447.575108 3525.949659 2176.626554
5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione 3941.790973 6004.70672 4069.36829 5642.22634 4342.163811 1274.734527 8289.275837 6121.415884 904.4610663 2939.878552 6923.431977 8765.26513 34571.67567 55173.61223 69050.17999 48239.16126 50708.30256 34347.50762 16054.81294 13327.72895 16989.82865 12187.30055 29928.85157 29074.91283
5-[(pyridin-3-ylmethyl)sulfanyl]-1H-1,2,4-triazol-3-amine 52186.0056 47540.27916 46535.45285 50536.02898 45332.57022 46845.19761 56953.92636 62569.53064 59504.62809 57654.84939 58930.91589 65613.13399 2437.771904 3019.748595 3192.887572 3367.002712 1931.685488 2729.803656 61.03988259 229.1175074 547.2249865 54.1221621 214.7303116 496.3573401
5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl]oxy-2,3,8,12b-tetrahydroxy-3-methyl-4a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione 706.6724748 875.1329436 514.3010746 170.3360706 583.0960719 963.1436608 556.3904174 978.6730822 1602.34814 748.6825038 602.1887763 1203.40075 7982.692862 5060.429219 6982.758797 11408.70678 7321.985955 7203.427154 27063.19963 28209.20656 29246.1722 30241.48287 26544.1073 26763.94421
5-[(1R,3R)-1-oxodithiolan-3-yl]pentanoic acid 463.4465944 724.2197663 669.0019562 149.4279207 398.8361345 412.1011878 1157.969288 216.382242 443.8637751 586.2535611 1371.926389 484.0156567 7643.203529 7975.26315 9618.704389 8622.864419 10949.69097 8694.69246 5885.807337 5464.412694 5227.619402 6051.710938 4956.156534 5805.490762
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)- 54146.06066 46593.31164 53947.58756 54952.18503 46457.57702 51902.55441 10245.54647 9284.549143 10910.84353 9292.898424 12300.06242 6794.621447 2035.478155 811.8310724 1057.101743 2460.387456 1542.271589 1201.695455 235.0155271 581.184456 389.2522964 502.3093537 535.3085293 244.666575
5-Oxoavermectin''1a'' aglycone 1062.138441 2051.055565 1550.431028 1831.874696 1484.074547 2237.371363 1906.888861 1708.348581 1285.484078 851.6444504 2211.006972 1389.300498 7346.647488 6983.748341 8536.692712 6517.549362 6972.954449 6603.801423 9973.462042 11965.06086 11386.28301 10592.22404 11448.06163 10670.32679
5-Nitro-2-(3-phenylpropylamino)benzoic acid 19337.79986 18408.9562 19502.71943 22000.56696 18218.25764 18069.7754 10283.27771 11951.46548 9460.922761 10231.41189 12502.57631 10337.40079 682.289046 678.4957945 667.9397939 120.281363 834.5060711 96.29293316 67.57381437 19.25848632 165.3864515 125.6866888 165.8935308 387.535475
5-Methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione 44216.29224 36208.76414 40783.71081 44263.38112 946.2546412 38661.31656 36799.06101 37073.60667 37150.03419 39048.03093 35345.0067 32626.81358 84706.95182 31413.82229 43750.01557 32847.32692 35991.74333 46567.30896 44340.76544 42452.14473 59815.66586 47930.79443 68362.4375 49614.63962
5-Hydroxythalidomide 7645.015054 6680.867213 4538.806428 7831.511852 4239.192815 5603.704922 6219.492801 6711.5599 6658.092649 6775.475071 7371.316967 6561.351902 203.1051001 220.5257545 429.3742107 48.23991114 126.5330284 103.3713495 151.7137233 81.93095219 365.8169622 411.5705564 660.426417 289.8236118
5-Hydroxypseudobaptigenin 2970.295102 2212.225347 3970.608014 2365.811457 2270.773146 3440.580409 10445.66103 8918.209528 10864.2199 8467.370409 10878.68801 10372.89185 31751.75508 35417.87802 32400.54288 36513.45846 33854.32381 34018.37739 17735.06973 17419.62234 16458.10098 17467.30989 17562.05051 16699.9137
5-Hydroxyindomethacin 576.7246696 288.0491989 423.3829672 241.4971471 517.2876196 250.3387471 292.4682349 620.8093276 611.0764631 486.2568954 242.9398601 343.0791008 1819.51205 1174.340959 1507.866942 1136.5559 1482.349582 1051.278417 256.5446377 319.8286813 468.7321414 224.4998149 307.5988696 456.3634002
5-Hydroxyferulate 242875.4149 248103.6548 250145.2785 250994.2529 246745.6611 248339.3515 263663.4218 259345.4256 261507.2127 255853.8792 266274.598 260743.7686 146956.303 83352.91602 84121.19119 89840.96047 86494.21039 83507.24107 34833.2998 31554.43153 35258.95349 37268.3697 32922.10888 36167.80002
5-Hydroxy-4-methoxy-5-(1-methylethenyl)-2-furanone 99296.0581 95606.91114 96088.39922 99189.56986 76740.35107 98982.55288 33216.30674 59994.85902 61493.02535 65269.56326 63014.77104 64053.32898 78603.48239 82647.85895 78163.95376 84461.18517 77078.53318 78397.5546 18614.25379 17601.43115 17876.75889 17225.70641 28993.72827 20561.20615
5-Fluorouridine 98981.72315 98467.58568 101043.0706 106833.2585 93750.9264 97979.22951 45995.55125 44487.15229 38458.88537 36766.5813 48186.20482 40791.38248 30714.09007 36099.54122 33054.47978 24478.76645 152.5509467 33714.63863 14339.50121 11485.91487 17318.79275 15228.29534 16467.17015 15682.58907
5-Deoxyleucopelargonidin 400578.5765 619141.8669 615894.2517 398389.871 394155.2636 380515.4362 301296.3557 301356.3398 305211.934 294393.9871 304278.7886 295181.39 1018396.711 1008384.323 987369.4674 1038700.319 1012218.426 974248.4736 260527.6634 242208.6042 263440.1655 261813.889 255031.7446 266264.7902
5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one 755.1169866 827.5853623 926.62731 295.1854244 433.8398502 241.2374375 4129.868892 1895.922466 2499.973896 2690.006925 2950.245543 3887.971533 11268.75065 18986.10406 22634.29299 19508.89367 21048.88432 20612.89445 23609.17861 20268.33322 22543.4415 24356.55891 21646.23095 26523.63472
5-Acetylamino-6-formylamino-3-methyluracil 2950.275365 3270.427942 3484.479011 3358.977451 3476.62995 3479.205881 532.8723174 963.2683757 1024.633915 909.7472125 787.409031 1102.780662 881.1623402 809.942055 620.939891 1112.459712 912.6637433 850.8557101 83.49580606 30.72821051 67.49632408 309.1900138 95.12519404 47.2579606
5-Acetoxy-7-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-4',6-dimethoxyflavone 27446.6755 19870.85787 26059.08501 20350.79911 26405.94591 20608.15564 18031.61982 24309.34042 23733.42373 21667.05659 19493.42695 19039.26895 3293.259939 3644.28675 2719.678327 2710.725199 2543.065151 2836.546942 1502.881919 251.1196808 1896.961287 1341.562956 1236.932414 77.66566689
5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol 130264.6856 127439.5423 126068.0834 127776.6608 122172.7215 116015.3881 131893.1024 88985.86153 88707.09892 89287.35908 97856.0835 131145.1799 338.3054926 965.6491789 854.2674884 247.5302049 678.9106827 565.7523007 223.9659329 108.3966683 309.8227524 55.32531938 63.11205117 948.8476374
5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole 6764.376481 12442.83726 4703.79451 4032.730704 7255.063924 5955.510563 4336.684717 5960.981285 7029.768077 5394.589689 4889.965654 6059.813327 3343.006733 2831.689565 2847.261979 3255.532722 2955.417183 3504.284358 5116.417706 5122.725689 5408.023022 5400.760203 5320.497958 4398.970778
5-(4-hydroxy-3-methoxyphenyl)-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 757.3342539 1440.437083 1773.4775 1332.902746 1971.958024 150.9103275 883.5279604 2053.255134 745.7787566 1204.311347 3114.917981 314.6902075 43508.34671 48754.12198 39378.70338 42903.03858 51816.60923 49398.47991 82311.18842 72202.76379 79887.40156 77692.50813 75354.54418 83220.11608
5-(3,5-Di-sec-butylcyclopent-1-enyl)-5-hydroxy-3-oxovaleric acid 531.7158845 499.6753737 512.3060007 132.7057213 70.38612135 803.4491439 454.098788 490.1169559 228.6317593 230.8605367 140.9646174 346.2612081 5330.948676 6009.767458 5399.187622 5870.15169 4747.804591 4713.132183 4214.59121 5146.514747 5256.618745 4577.328572 4779.372487 4514.787352
5-(3,5-Di-sec-butylcyclopent-1-enyl)-2,3,5-trihydroxyvaleric acid 562.1424142 667.405057 517.8221921 660.4274236 339.6494866 502.4140719 414.7771972 474.4255846 360.3750389 309.6786171 271.0698426 343.6342401 4351.609758 4686.145053 4195.696283 4228.667442 4798.962361 4128.589326 5614.505814 6053.855502 5923.032588 5328.242819 6409.386844 5963.708459
5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-13-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 42839.20075 66820.79677 40497.12435 41399.0573 61556.98098 41031.36172 44508.55905 45996.94688 45557.48293 40544.03026 44406.73398 70540.29421 1391.066973 642.5733356 2615.532825 534.2305094 329.1535826 2304.360535 1408.610997 508.0053497 1700.850699 1000.573194 278.2129556 2117.363853
5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene 215003.5662 200170.57 197140.2445 208897.5664 193528.6599 199280.2298 162354.7249 158876.3146 124416.1309 157020.2799 175526.5593 163671.4399 37801.25869 33362.77907 35397.65102 35656.91078 35228.11331 30534.55025 4464.259923 1178.003025 9963.615281 1609.196354 5825.852383 3089.009263
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl 7947.769904 11348.09305 10786.48824 12580.34176 10941.24725 9796.754533 5619.070829 324.7486284 916.958403 3952.818968 5828.55959 1928.170864 43.85187662 40.89440533 311.3970287 295.7723616 63.32713033 667.2452883 145.1081622 324.5898357 48.28773422 577.7266536 254.214744 460.7813691
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate 316296.984 324250.2125 299360.114 292472.8238 286429.6852 271760.7079 347479.0336 327428.435 378622.2175 296841.973 307528.7615 291437.1259 74179.28877 61957.62248 59975.02676 63529.03622 53706.76213 53542.24001 36641.53249 38627.70052 39155.58085 37944.63804 38453.97211 55274.82994
5,7-dihydroxy-6-methoxy-3-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 40151.74223 35980.47271 35209.6593 36098.44582 37971.64991 30772.71962 21044.45904 13567.32668 16559.67884 17065.31654 16968.62464 15723.01691 7337.094207 33519.27941 31523.25377 31787.57041 27493.47883 30657.87919 6036.618753 10605.56341 12682.05065 13085.82012 11581.70696 13276.54515
5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one 35920.06202 33077.52213 416.7321917 41532.10177 11884.93405 32499.43944 65545.67279 72057.51044 57537.24149 61007.05982 67465.35912 61908.34636 8443.105529 7057.499151 7816.651683 10200.18522 9574.816349 11045.47954 15177.73823 4373.375155 16707.1716 15659.89339 12993.1292 10014.86046
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4S,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one 65818.41928 65775.20389 63481.35171 65758.58556 72431.52531 67038.28241 90245.46774 87056.8743 90283.10918 86798.59897 93482.18085 88162.78713 2100.059667 3117.966109 1811.929358 504.4379853 2590.949786 1055.794267 902.4423094 700.9679499 1244.682548 1349.578228 1633.992733 2725.542234
5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 204160.8141 194151.5899 194501.0762 194273.2296 193469.4336 192827.6848 118727.3774 124177.4706 121718.7933 120287.3913 96951.7949 89912.17542 6006.744632 361.8542992 124.3522042 7767.850574 91.77277081 144.2938451 428.3944148 918.0838966 695.7404263 576.4648258 396.0169186 353.9980809
5,7-dihydroxy-2-(1-hydroxy-3,5-dimethoxy-4-oxocyclohex-2-en-1-yl)-4H-chromen-4-one 81347.07343 83319.83796 88626.87751 91836.74469 83203.97729 92790.2934 109798.8781 112715.3621 101403.1943 103016.1089 119058.2713 104508.4814 29983.42975 29047.04907 26053.63934 27906.09155 26742.68362 26944.68532 39842.18658 22473.60636 23003.37444 23456.10554 22243.9315 39866.26641
5,7-Dihydroxy-8-[2-methoxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one 29729.36566 22916.4555 25210.12364 24889.03412 27989.52922 24362.21176 7021.232658 8817.598642 5895.569603 9229.418401 8294.323418 10720.59677 2685.830723 3317.642993 1205.41612 4048.172461 1311.449367 3046.663741 1281.742827 1553.076369 600.0878065 1532.033902 1267.930519 1388.560316
5,7-Dihydroxy-8-[2-hydroxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one 29880.64301 26839.99955 32963.85342 31976.67541 18625.94317 32118.86744 26430.785 24035.56218 23379.04333 28262.42955 26163.27543 22822.01523 863.178312 276.975426 184.3189752 1951.000668 632.8465573 1139.426208 440.8521484 717.8719403 573.8868353 850.6010499 472.0138464 523.2263455
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-methoxychromen-4-one 2705.452906 2646.094853 5398.721412 4271.702736 4731.006804 3274.915288 2411.063264 1856.381838 1115.717783 2867.018672 2613.982832 2396.706213 28691.56423 29035.73174 30586.26532 30359.74361 29034.42198 30434.77656 12425.89696 13347.20541 11172.42391 10101.39474 9446.955223 13910.43954
5,7,3'-Trihydroxyisoflavone 3428766.342 3541174.813 3703093.52 3853326.192 3598132.233 3817314.642 4028843.221 4162433.284 4043333.442 4549300.557 4719166.378 4424865.371 12035237.35 12106635.68 11534499.02 12110383.7 11944401.33 11994136.43 12357833.26 12272304.99 12670963.9 12659143.02 12260140.12 12842016.22
5,14-bis(acetyloxy)-4-hydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate 41089.27679 43227.60762 39441.45599 44160.02513 41095.49507 40316.52816 39116.52012 39013.70004 36518.36573 38535.6659 40901.35482 38465.29103 1451.69368 37.50213968 223.4084255 78.44944883 752.0169931 99.65545105 139.3932537 57.006711 68.11971011 665.7689313 402.8396519 422.4530839
5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 2747.754738 198.3133314 785.3716833 92.51665899 2653.494426 595.6901311 1212.493247 3775.476789 3084.671477 3531.377129 1036.947054 2837.33055 52511.66325 65277.58298 50105.35982 61601.78673 66450.33763 60437.99115 77486.97718 66955.26303 75533.65043 75372.79909 71857.95819 79763.08976
5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 12639.00337 12718.54697 12700.82871 12826.5175 12787.17911 12989.25295 9364.670505 8712.512966 5701.535352 5862.783827 9587.058922 10194.03409 321.2307069 223.5513382 115.7321792 418.7539856 316.5681139 598.9696161 241.8506911 27.20196355 1221.195069 335.3269997 48.22182475 3715.099057
5,13-bis(3,4-dihydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 239996.0163 231356.0838 235426.6679 230843.7646 228669.1481 227503.7859 201808.9862 193852.053 205869.405 193837.8156 193491.6427 193039.3717 4084.835506 49265.32428 34743.30161 31282.27852 32071.15963 26833.29374 11164.72502 2735.187288 7181.802376 15529.20536 3136.254275 15184.03643
5,13,14,15-tetrahydroxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one 158630.8621 146499.2065 162668.1596 147987.2277 154482.0616 158709.0811 17233.74248 29163.51772 28169.37977 16080.72393 41967.23081 11500.95627 6211.603316 8981.917958 6935.793838 10926.33482 8874.256599 15056.52746 148577.8919 138891.1413 136440.1517 132226.1057 128777.2821 137490.4993
5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan 1430.022466 5016.345744 2174.765926 1715.18684 3178.173197 2516.342659 1037.031327 1742.303665 1445.290204 2458.623158 85.94827882 6480.544872 91201.78352 64088.71163 63480.46464 64143.35389 60507.19524 60161.12171 103758.4047 94308.7903 101394.2357 100411.3286 87195.58752 106475.2745
5''-Phosphoribosylparomamine 6264.362324 4969.80369 5060.323658 5251.514868 4603.84381 5647.656423 9175.89406 8573.891039 8292.655091 8384.722176 9570.594002 9271.535964 3139.417735 2253.740432 2121.138572 1624.752614 2183.982613 2195.893376 2813.228186 1828.833537 1863.605481 1539.370972 1314.296993 1828.375125
4S,5R-antillatoxin A 1384.314911 419.3825142 373.4216715 884.0977062 267.2256049 1454.205742 1276.214111 750.3275365 307.6418293 578.8306381 616.8362934 1277.70467 6008.916407 5434.490709 5785.902707 5477.060766 5614.917694 5054.610107 7041.009653 7337.139019 5816.232186 6888.28761 6447.516558 7077.579699
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)- 5456.497125 3687.879231 6139.540353 7388.972914 6272.347026 6688.829543 12574.06316 15069.75831 16542.17195 11585.79955 16986.20447 13171.66631 123883.2958 124708.4406 119951.3053 42382.17711 45942.87468 42980.14082 4637.040513 3919.964097 3806.147296 4648.120565 4062.666932 6643.213389
4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)- 5023.06577 2625.262515 2847.809365 1013.46061 6231.572339 4267.256619 1517.130743 757.4071667 1776.350363 2170.581773 1645.561889 741.2098635 50788.76031 64722.10485 64468.96697 49522.6452 73739.40026 71998.33712 179474.3534 200989.0413 164617.5307 126039.6352 192667.0988 185975.6928
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol 12475.02276 13119.8757 9963.395372 8728.136474 10860.99065 11650.93197 10685.73453 6174.755573 7739.404222 5833.977769 3777.554908 5726.524331 426.7238476 598.2926233 371.0028675 291.396748 506.4172999 394.8112824 409.862573 197.5754731 803.9008095 175.7884064 170.9467111 72.62438367
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol 33.30928569 580.1055679 32.06241618 79.4859729 554.6171968 47.724624 72.96491476 346.0348617 100.9246791 244.8848613 228.3208123 279.5694162 5041.633307 5136.451769 4727.395764 6158.905716 4993.887474 5186.854863 752.1920931 3000.136797 3683.747013 4708.939063 2546.022828 3332.989051
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol 5852.509177 4296.388805 5010.949559 5497.919588 1145.284697 3396.203307 1534.44098 2048.872654 1638.08693 2459.719093 3968.084197 3276.178716 12096.7935 11608.28131 4628.425738 11877.22293 8266.579991 11663.841 985.613352 1847.430002 1431.193234 679.4181761 692.5569896 1509.555992
4-methoxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenoxy]benzaldehyde 95993.48551 94846.46577 91419.71129 91917.66337 96148.35355 94122.75698 116182.8642 129569.6018 121442.5218 121746.5721 130278.7449 129994.4675 1394.955259 4224.281882 4789.570931 245.5397202 3520.628947 4620.984075 243.6982745 797.6394355 1467.17826 133.8166407 1788.509686 1947.58957
4-hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-3,5-diene-1,2-dione 4572.625402 2537.017436 677.481482 1043.086617 2129.871174 98.07918038 64.28150971 71.81975505 68.42345771 22.86300345 721.5535269 470.9491065 1029.912444 24.85113654 155.9819303 1298.666163 2053.911767 1349.136415 2371.657116 1903.325068 1864.42022 1467.005737 1305.171017 1388.958898
4-hydroxy Nonenal Mercapturic Acid-d3 3828.106256 5851.957985 6227.221314 4943.868283 4947.616388 2915.894488 7230.357784 2909.037937 5439.297707 2833.424583 3021.934552 2787.519001 69649.42671 67112.5903 66879.66099 67787.63187 67331.24021 65976.99952 92946.46426 85874.36816 90697.98054 87696.90099 90908.60908 90083.28054
4-ene-Valproic acid CoA 5676.429675 6809.0463 7947.53654 5762.910224 5339.528669 5232.23035 4476.005235 3746.575911 6552.898309 4136.398933 3914.623178 3938.115104 272.3343014 1210.37263 2397.812735 438.0601758 1816.250611 288.6282716 432.9408161 451.0946087 882.6384932 915.2241556 1309.061346 287.6958077
4-azaniumyl-5-[[1-(carboxylatomethylamino)-3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoate 46225.43702 40860.09127 41012.37176 38899.86426 39248.59947 33771.07995 26613.39158 29197.72343 25533.60591 25941.88067 20662.09026 22401.44457 3238.913419 74121.14278 71904.77329 358.5138314 313.8050694 199.5997097 2848.617028 2274.493715 1851.133178 189.6242985 2095.657541 4726.801167
4-[[3-O,6-O-Bis[1-oxo-3-(1-hydroxy-4-oxo-2,5-cyclohexadienyl)-2-propenyl]-beta-D-glucopyranosyl]oxy]phenol 2341.91133 1636.649696 3456.868196 342.4919022 1612.12314 44.15672104 1562.938873 2012.731905 5042.02528 2962.271673 2288.026203 1398.720254 70589.0871 76902.55418 70566.13051 76191.13614 85389.84836 101885.2928 104219.9201 100486.4183 99894.63183 132432.2652 93446.11851 101902.5842
4-[[(4-Fluorophenyl)sulfonylamino]methyl]-~{n}-(Pyridin-3-Ylmethyl)benzamide 21822.32729 21322.52736 20863.21433 20423.92712 22268.73831 20488.19566 14482.93818 13621.36181 15219.82607 14887.45253 14071.40932 15475.09412 561.2824728 209.392696 116.9415194 270.2522253 97.83917555 1439.293944 2437.962448 2143.085991 1670.025893 2535.835425 2044.200467 1313.672131
4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline 37026.79456 9609.485851 39395.51686 14741.44621 29891.81483 6630.804464 20345.90568 9986.568496 5975.552854 8471.561895 9644.587595 8217.066475 2825.864477 7570.882661 4468.632395 8318.392775 4150.093386 5254.277337 1030.159884 1405.68846 1858.793703 1157.192951 1694.894229 2162.818061
4-[4-(Benzyloxy)phenyl]-2-chlorobenzonitrile 575.1771028 135.5581038 1843.015571 756.4932385 1950.319786 2554.542638 5891.295572 8617.319758 8617.923289 2372.476588 2951.425175 4310.904396 35357.83742 35100.5636 59169.07699 50852.16916 43664.02523 38686.16534 35606.3076 35151.60555 34922.62182 34084.81862 32797.34159 38242.8529
4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methylidene-4-oxobutanoate 24194.31923 24940.95062 21984.65207 26816.02628 18902.09384 24515.74286 8232.811078 9937.993783 5547.854183 7541.755375 8136.371182 9881.949252 8400.03074 9034.405687 8391.0483 8664.238554 9270.216586 8377.1029 7454.442492 6170.015474 9569.169121 8617.078226 8612.151444 9287.825383
4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 43465.03592 59678.6112 46282.95904 35451.41974 32357.2468 29549.58525 36181.46826 33667.09429 26662.44572 43830.23173 12499.8925 22088.09907 2422.495551 4203.447053 8374.45971 5174.092787 4988.516182 4453.627353 3249.975509 9894.999931 1506.4504 3819.560481 2663.762483 7880.070156
4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxy-3-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2081961.57 1960177.389 1867469.899 1838848.677 1841196.135 1803401.186 1540710.242 1528755.236 1503181.159 1555915.503 1597158.067 1487869.936 910274.0079 885401.2615 879623.0734 883700.1225 857059.1954 872301.7907 403526.0078 399630.9391 403077.4805 388961.0916 394708.391 419785.4483
4-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium 382.1015499 401.3070783 361.0619885 159.7232418 194.2607924 505.7879657 589.3141914 798.682144 1049.898736 665.4937339 905.6092194 301.729963 67.36048328 289.4221445 112.1479556 242.0119934 46.57354377 49.57396322 1123.813822 653.6992386 1638.873573 199.8663315 1297.908174 1710.818727
4-[(E)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one 424.826113 351.2813216 382.0179199 510.7961337 597.9159985 266.4773081 345.7754256 195.9701362 172.4194856 158.5303996 392.8717703 187.8280946 2662.140708 2346.840619 1733.26531 2613.664184 2920.552291 885.4187297 6522.790837 6975.237387 8569.569843 8443.082211 8194.626579 8325.443705
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1,7-dihydroxy-2,3,5-trioxabicyclo[2.2.2]oct-7-en-6-one 253.7772107 379.7542608 396.8988232 284.7250306 98.30779286 143.2118501 384.2492356 112.263977 71.12035516 193.2136287 284.8873252 331.324889 5143.112012 4455.896217 3434.523899 3490.493144 3301.326818 2852.424562 2403.862393 2141.616582 2668.790316 2024.952602 2214.316621 2275.96675
4-[(3R,6S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 18752.36275 13546.26908 14891.31061 12534.6731 13765.48774 14664.23724 13650.20979 9599.247655 18969.24443 16051.04681 20731.71657 8753.189322 13580.6934 19434.15955 18102.82762 16243.24896 21251.96814 16398.18261 19250.2753 8813.726735 19066.57677 19578.39228 17711.18933 23046.00127
4-[(2-aminoacetyl)amino]-N-(2,6-dimethylphenyl)benzamide 7433.828181 7212.041823 7518.873742 7230.646941 6531.996939 7046.362518 3865.549054 5789.012434 4898.752723 5937.696222 5706.507333 5382.861754 15131.57841 14892.75774 14334.26704 15529.39812 14385.69352 14278.03175 4513.310469 4783.701813 5120.583346 4938.080193 5760.458654 4343.233107
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- 5220.404742 4076.747957 6142.526579 1435.445714 2732.248292 6099.253878 13192.00628 10836.74969 12210.60719 9008.460805 12439.45611 12184.71006 46339.42763 47511.18717 47339.64945 49350.31359 45994.73955 47279.96401 35419.74423 34367.07536 36521.84371 36001.84946 35286.88126 36440.37035
4-Quinolone-3-Carboxamide CB2 Ligand 10288.96408 8968.126822 8522.574743 9184.140808 8496.794628 8936.422559 11608.86108 11402.63251 11653.48554 12231.45811 11857.18156 11865.44662 809.1807478 387.3696402 300.8232505 387.4588164 393.6052946 394.7760318 1011.36846 1259.426786 500.809803 756.0240907 1255.538873 560.5882528
4-Oxooctadeca-9,11,13-trienoic acid 114.9513872 302.3474345 115.9105757 68.25242781 27.30099339 33.40761983 83.57880633 115.6712896 221.1801212 83.45952309 216.8497948 286.6602345 10220.24339 11587.12459 9711.136606 10366.51533 11151.79015 10717.58393 8124.98336 8099.736052 8730.958035 8340.936476 8436.677974 8732.326451
4-O-acetyl-UDP-N-acetylglucosamine 1167917.946 1140450.496 1138114.984 1077105.067 1071264.557 998507.1102 966278.4092 926999.2263 1002944.218 957824.0149 976801.6413 890807.2498 294086.2243 308578.0506 259733.4157 310494.5828 272286.8183 277968.1027 222891.0779 228383.6958 229178.6938 235356.4881 232347.502 216661.6466
4-O-Methylgallic acid 148817.3868 144360.3966 157224.3756 150741.0703 140871.7443 141373.1528 85224.56437 79440.17674 75952.53506 83075.7514 84511.60076 95882.45032 13100.76048 13068.43017 12328.12621 12128.58765 9058.372968 13122.75975 1268.305271 3400.096514 3720.883759 867.2950884 1867.571512 1745.534878
4-Nitrophenyl phosphate 13691.49382 14237.0508 13306.23458 13407.07029 11928.68508 13847.53729 14504.99631 32866.32609 18254.49491 30487.57748 12382.25286 11447.84751 21826.28601 17305.4274 31931.44218 34725.09962 29138.8799 17922.10208 71619.36291 75787.16638 79887.30069 77104.73286 82195.7237 69869.95055
4-Methylthiobutylthiohydroximate 2487.275592 2194.727402 3163.557899 1382.894988 2800.194586 1617.195182 3916.699005 790.3844131 1112.592131 2154.7634 3434.062006 2068.823759 55046.3505 57297.37202 53589.49301 56463.55843 56446.35353 52932.52516 37149.38337 35115.18698 39975.51221 37164.31953 37103.88195 38811.81756
4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid 1012401.746 1037940.539 1039251.3 1048165.483 1019423.041 1003384.532 1269725.698 1264113.642 1252600.54 1245705.914 1302096.056 1243439.321 277172.1147 267160.1379 272839.0555 288224.876 267691.0889 277595.5286 84940.42235 79477.83591 85893.82905 81761.39823 79556.91816 79699.64115
4-Ketocyclophosphamide 1326.35179 527.0596891 370.7986816 732.7282938 82.28019363 823.2918143 2071.297631 1739.268239 1398.059089 2066.076214 1821.787719 1580.374582 5890.380101 5223.679699 3877.582096 4166.474117 3852.199069 3329.917501 81.08916216 117.3040252 350.331684 614.1911182 278.6568908 424.225922
4-Hydroxytriazolam 15193.86878 15388.79472 14207.95873 14688.92427 14013.58337 15059.05923 12211.45393 13475.50159 16619.26801 13948.76834 23856.38331 22055.6124 22901.49374 25492.35834 23403.89886 23785.95009 25819.84757 26049.11901 10549.77879 9544.308712 8837.682503 10321.55784 9907.373031 9805.066364
4-Hydroxytamoxifen-N-glucuronide 117.8877959 120.0229209 223.077895 366.2380599 116.3297335 2379.589097 123.6373375 85505.88621 83424.11141 593.4280063 89019.62969 748.2859279 1520.718877 1692.204793 569.2407265 1214.323695 1162.761666 1046.18443 15245.38459 13609.27364 15977.15538 13553.55307 14083.08817 15591.45588
4-Hydroxyphenytoin glucuronide 801338.8048 678584.6742 434539.9056 779515.4462 607015.4775 778819.0072 946810.8059 937589.7057 949338.0001 604893.5673 415567.8069 199529.8865 2158.428959 95.88330504 18962.28792 97.84589484 151.5667121 168.2169348 217.9359935 100.3173718 506.3858213 17837.82478 105.9869057 237.9997191
4-Hydroxyalprazolam 2581.940122 7108.045521 4810.364908 5691.885789 7657.610592 2021.648883 5448.199074 3433.834698 8824.130018 5546.074737 7410.922949 3845.673049 83252.51758 138744.971 140276.8881 144658.3352 138706.8205 136237.4638 216998.7722 219694.6805 232265.938 231424.2568 224582.4065 234282.1345
4-Hydroxy-L-glutamic acid 14487.05283 14618.59713 19274.35217 12425.64823 13609.89285 14168.26694 7691.083841 8398.393275 7614.934768 7680.705013 7146.87994 8412.070597 703.9275719 774.5494596 31.49506104 87.60865709 655.9599224 195.9177145 239.8607049 264.2987493 22.91899364 42.21516176 72.0107392 511.5231122
4-Hydroxy-6-methylpretetramide(1-) 3000.675744 1138.303417 390.8771428 790.5588481 443.4363218 1554.282632 677.9636648 2444.740217 943.1189834 1384.322971 561.0566824 1618.277064 15.77845025 431.4807651 241.182057 86.88414531 20.69628937 222.5839639 161.0544423 74.20333347 175.408474 204.6485971 74.588702 11.06540784
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide 12.09387612 212.1996848 129.8462183 232.8686279 267.820306 606.5809785 350.2644183 342.8462895 202.4057322 168.4677247 25.03292604 173.8641824 9003.522383 9035.410553 9069.73059 9760.952827 8991.258922 14540.19898 31223.72126 34312.22287 34931.0287 35435.1118 33285.58896 35508.47367
4-Fluorobenzoic acid 3993.371714 5342.315257 4335.96598 5198.08909 4622.502185 5426.558967 4174.643057 3984.006374 4631.431745 4654.98195 4447.274001 4036.115398 4132.614448 3241.110535 4385.652072 4770.045329 4072.339322 4678.809526 8312.888364 8619.198014 8350.466161 9076.418169 8327.856241 8092.777909
4-Dodecylbenzenesulfonic acid 3262.95801 2985.673964 3581.914501 3726.042533 4334.897266 3253.378444 1370.30644 2849.354656 1780.819845 2745.417314 2006.128326 2224.381818 3017.32931 2489.65537 3186.513936 2762.628254 2956.883955 3097.779704 2794.349314 2833.923585 2837.855817 3103.064671 2996.930527 2697.784065
4-Deoxy-4-thio-alpha-D-digitoxosyl-calicheamicin T0 2316.789791 6245.325524 5135.773532 4582.757559 7042.564018 5626.15071 23748.55066 20311.92225 20970.55139 22051.05552 20904.71984 20549.75349 323.2507295 671.145338 145.3583603 194.2599261 281.6666754 130.5327063 315.0713721 507.4344822 88.65912473 136.3093406 108.7785494 445.3933231
4-Coumaryl-4-coumarate 47137.70138 47458.26172 52507.18596 46589.96592 46628.96715 47101.32929 6071.268593 6728.73375 6203.960313 6480.145238 5927.860081 5595.128084 3466.54751 57.07351638 2521.854926 2731.524948 3299.003484 67.76172696 84.87299781 116.3583213 136.1553047 297.0541618 108.4603072 155.5819899
4-Coumaroylshikimate 14834.0971 19712.28995 16811.75295 19713.83455 18777.67942 14293.12174 6919.361582 6865.23383 7360.247721 8224.185285 595.0450801 3273.734308 18419.7113 18060.6701 19095.33444 9747.120522 18001.09944 16670.00158 6893.700061 11478.49341 10534.96761 11724.8292 5588.201145 10144.41059
4-Chlorobenzenesulfonylurea 313.7331523 239.3283034 268.6402495 286.5184258 223.8231708 262.8767882 130.6282814 366.0550369 384.4528328 146.3510126 185.6456527 403.5153163 54.5970615 514.3358221 247.9117221 1282.873164 510.4091231 534.5000233 1529.263065 1747.198875 2050.121315 1754.722986 502.7526546 1873.961289
4-Chloro-L-phenylalanine 78074.17273 72841.81922 77531.65698 75961.40833 74980.60197 79082.04985 80018.73263 74691.28603 78762.96576 77786.9451 80461.53676 77762.78648 50612.13473 52808.91732 52359.51131 51212.33946 46729.14951 50840.07309 43376.95322 47804.58132 44921.45543 46646.91487 46117.27955 45410.09244
4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline 3462.765331 3240.863675 3424.974854 2980.603523 2551.857392 2379.944366 1212.129861 1225.095518 1037.707144 1192.245371 1074.513677 839.8867587 193.4101988 194.5784507 264.5335074 308.607657 104.8779033 172.2615915 197.0061032 148.121311 44.07327565 102.4720735 136.1486875 98.02168179
4-Benzoyloxybutylglucosinolate 862.5076287 1111.302953 651.8300075 1455.745869 456.1612422 757.247103 2099.75016 3723.577604 1613.300933 3671.373083 2275.597791 2123.741419 48990.87283 52627.54345 52367.74837 56444.5835 54938.08878 53822.16524 2136.478507 5366.428963 3877.948419 7052.757177 4524.468676 3828.574954
4-Amino-2-hydroxy-5-[[1-hydroxy-1-(2-oxo-1-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid 9.470443876 132.0969714 23.82445821 191.053416 36.76650077 279.8319371 143.2582195 217.3456653 128.6287911 204.8824954 411.0925007 129.7983669 3259.897315 3057.271858 3252.223 3297.425291 3053.795137 3051.70474 4251.828375 3132.794278 3607.543772 3313.737188 3136.287965 3380.898475
4-(phosphooxy)pentanoyl-CoA 6620.406061 5367.915449 4695.510985 6460.450145 131.7207367 5986.43692 2959.777935 3529.206699 2254.378669 4622.615571 3800.099315 3348.302455 5871.661694 5282.601815 6128.136746 1698.060053 5687.682578 5583.529585 20006.47321 21261.49338 20738.90828 20173.12645 19467.38418 21100.78755
4-(beta-D-glucosyloxy)benzoic acid 9967.128848 11616.88191 10416.48494 13121.49339 9445.680139 11916.82194 11343.03421 9675.310988 11227.63802 11178.39934 11993.05557 11797.77247 1727.442955 4146.530751 4142.821343 3656.200884 3375.943882 5031.154986 18695.94545 21348.77755 23192.98643 23182.15359 20587.15187 23366.10905
4-(beta-D-Glucopyranosyloxy)-1-naphthol 94504.45409 94565.31204 91055.05696 93005.10901 87725.54601 91255.07657 100699.7595 102129.1897 99642.69451 101206.0982 106326.0443 100980.6851 103548.6003 98232.46581 94418.73158 96305.27894 88031.84675 93190.45504 573.7865271 55794.23666 3560.049308 4240.749529 2536.131994 59160.18824
4-(Sulfooxy)benzeneacrylic acid alpha-methyl ester 297.3222877 366.7167515 352.9188304 645.733802 479.1073905 187.8924088 290.656131 197.0270682 228.3052745 154.5811331 271.1467119 485.1223472 371.1709483 1005.271686 1984.003059 511.0611675 703.1477489 458.5867913 4736.462792 4416.017294 4051.666025 4447.964098 4030.010217 4888.203519
4-(Piperidin-1-YL)-8-(trifluoromethyl)quinoline 3214.195087 948.6200847 2514.683109 360.4534935 1947.062409 1706.124495 5102.222957 5043.163499 2684.863471 5116.070217 5288.414309 2753.541597 55511.28943 88000.41057 95382.93279 65911.59078 84945.67929 60335.25085 5115.953882 39009.61762 34441.16498 85850.3918 56311.2687 50679.95629
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine 2496.505477 2377.317276 1617.898433 2060.085351 2521.628251 1759.19542 2549.010421 2362.431199 1901.807481 1346.146566 2708.910669 2047.404762 30317.02774 31523.78486 29347.95147 30614.95836 29113.03547 29371.66988 35672.20964 33588.09155 38903.80704 36955.72069 34519.72148 38358.52768
4-(5-O-phospho-beta-D-ribofuranosyl)phenol 2787.288323 3100.71818 2591.888678 2098.57179 3274.386493 2758.636281 3254.036938 3874.492554 3215.547264 4048.186098 3430.410686 3855.035129 424.704007 100.1754682 82.21662131 183.5595875 243.8502112 284.3189699 26.82251616 153.4703179 355.2232126 208.7488617 258.1953766 113.704064
4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide 26051.0272 30816.29309 22428.50104 22420.86889 19759.56373 22673.14142 13150.86739 13490.87024 13780.27713 11415.90127 10052.62557 8338.388564 1769.915249 2028.518966 1139.794857 1936.949677 1945.561179 577.3137422 1332.257793 1855.048935 1696.281544 695.7985122 1397.535877 345.3561872
4-(3-Pyridyl)-3-butenoate 52.44093833 390.8766389 390.2384715 86.07998311 60.8825233 43.87121415 388.8930001 170.8170242 257.3735124 223.8967642 376.9116501 182.738544 3251.401467 2742.590637 3071.308041 2806.611325 2266.790342 2805.138422 6106.362197 6601.863099 6811.254803 4868.429955 5017.476655 6447.119887
4-(3-Oxo-1-butenyl)-2,6-dimethoxyphenyl beta-D-glucopyranoside 795.0142807 619.1234667 1045.819187 917.9627284 792.0299507 296.0220759 699.7575925 223.0278508 40.25782159 147.8261392 99.27565328 87.03707909 1271.669978 1466.349062 1749.251021 1835.690078 1610.485175 1052.255969 159.7342728 41.8681278 140.4189989 179.710718 108.8567905 69.80717565
4-(3,4-dihydroxyphenyl)-9-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one 27215.27447 25423.91586 25368.38692 16774.97207 11886.72361 38504.22954 30171.35991 28296.51738 32726.37759 28196.2766 79259.19171 21396.262 3034.232876 30.78184157 3447.010197 4106.308193 103.4613607 29.24277163 32.8323014 43.86521479 2561.034336 2639.269484 72.33740704 2489.815925
4-((1E)-3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside 447044.131 508232.0123 555907.9575 537073.1114 474051.7146 510271.3644 10623905.85 10774711.89 19684.88513 10677325 11217483.44 10653543.73 7936942.068 8137639.143 8108258.441 8452641.736 22492.31717 8098035.615 6066636.392 5886336.973 6255402.205 6166338.432 6043879.837 6241447.579
4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one 3415.521813 38413.96701 25567.87279 26660.6213 14445.97581 28047.06468 37259.75041 45608.31427 35207.91326 43491.41494 30917.51595 58154.90621 44653.14053 46403.19276 39018.74411 43427.23082 46888.28977 43167.88689 42428.60431 45796.67445 46574.51876 43842.43162 39516.48549 47661.53659
4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl hexopyranoside 21390.38093 47018.02954 44584.07687 758.1303517 6145.529417 44449.34695 56617.13902 58053.66446 57632.16789 42817.46716 60637.27573 62080.00112 15613.25503 10015.90678 8616.337905 20292.36092 21941.35377 13412.50226 281.0813645 545.0536386 66.53643061 343.1362062 2363.217125 2891.793928
4,5-Dihydro-drospirenone-3-sulfate 430.2196293 301.893408 606.5336707 560.0555022 235.2239016 424.6391853 592.8141157 483.0916884 827.8085344 800.7977702 676.1049712 367.6469604 5051.473297 6447.17149 5223.268656 5131.341386 5097.091443 5355.849252 18894.24517 12876.62838 11382.83278 10418.73755 23004.28212 19593.02148
4,5-Chrysenedicarboxylate 86041.25959 88648.09174 84194.51213 72363.37962 82124.17169 46216.60312 120362.9873 89225.76145 73216.74266 31645.43792 77597.10433 62542.31642 9797.308806 7943.298348 7280.912597 7593.089132 171.2665215 7046.432466 69.53044748 5533.596667 64.04170612 120.0327029 6649.703237 5665.280626
4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid 14623.96901 15533.09289 15985.12949 15506.92993 14031.97344 14549.26753 9619.808744 691.2924686 795.8330384 10002.09197 9057.515535 9003.735742 558.5208129 545.227339 608.0144555 617.9341303 549.8113685 579.0867301 475.5633711 20.77429866 8.300311771 191.5470907 327.4503608 396.52584
4,4-Bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid 67520.1524 69737.39397 70581.09559 65136.71296 72197.92821 61973.15314 94052.61527 96754.71278 86262.88983 98435.24536 96149.54534 94384.52632 4525.893491 4359.082342 4763.293929 2619.136555 1711.767666 8214.194963 334.8904077 1710.850845 704.534116 362.1429387 354.4635229 2383.560492
4,4'-Sulfonyldiphenol 124065.948 127575.3657 128408.8281 129202.9232 124349.7617 123761.4242 641112.8838 92500.61602 96307.89643 94860.42297 95714.3636 102880.1445 13145.74832 33591.7441 13796.37613 13689.97361 11857.17971 11794.74317 8922.304138 7719.181331 13957.09757 2755.684621 9431.39083 14048.12823
4,4'-Difluorobiphenyl-2,2'-dicarboxylic acid 160.8734796 222.5094444 143.2316257 261.2761784 176.2727431 116.2665292 165.699162 158.3002794 224.4819064 239.0353101 173.7812589 209.8905348 3860.04797 3437.007167 3078.793037 3355.915746 3271.650291 3942.851067 4516.970373 3805.762016 4916.661528 4610.271296 3955.118532 4581.4255
4,4',7'-Trimethoxy-1,1'-biphenanthrene-2,2',7-triol 29013.95849 29119.97481 28262.38579 33463.50659 27673.23168 32676.75469 36453.30886 43701.92541 32797.25679 42319.74823 27645.91911 31923.65834 1312.254084 411.0287148 209.1569688 333.6970569 401.2007866 395.3011718 113.6734657 171.8787604 59.46309914 299.1400944 274.4151036 262.5228151
4'-Methyl-epigallocatechin-7-glucuronide 4461.583446 2749.35764 4515.345097 1904.316477 4402.054031 3742.146355 6750.020884 9036.831179 9877.577704 5137.518218 899.9026251 12831.09782 1059.679628 4360.704443 924.2469806 1318.805294 5083.229945 1106.224926 210.956719 462.7683295 469.6072598 864.8798302 1302.887349 1285.437541
4'-Hydroxyflavanone 109248.4881 114067.5082 111202.1856 108844.6575 102518.1825 107879.8176 80246.05438 87360.98606 82345.82912 72914.21215 74534.25587 66519.55911 12276.33872 77.59863813 11702.22725 3925.119189 2997.71359 2541.25025 90.33922873 461.919486 384.6135084 2472.438839 2223.013957 188.753794
4',6'-Dimethoxy-4-fluoro-2'-hydroxychalcone 5136.363955 5075.282227 5453.499368 6057.447148 5133.835219 4986.898593 3106.786365 3718.333743 2790.38693 2992.001218 3616.071872 2365.09599 733.1007578 407.0985359 685.8571238 545.0271236 250.2125177 528.633358 150.7464556 211.854419 76.0543636 118.3052255 92.32444377 76.34371458
4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone 5164.113454 3671.048666 2962.919179 4688.555661 4593.655343 2218.127433 3752.245336 2063.747131 3207.265649 6976.748559 3780.920899 3594.006591 47.10734326 83.78077783 50.36026488 302.4440941 55.3961733 227.0003292 12.28886429 113.8826956 27.69809496 58.82987339 72.79354853 23.6922541
4',5,5''-Trihydroxy-4''',7''-dimethoxy-7-(beta-D-glucopyranosyloxy)-8,3'''-biflavone 644.9677264 68992.61162 66431.61267 67854.32445 64002.48034 66577.54223 1758.130171 146.814656 1068.285374 473.1030377 77572.9633 4106.972008 82772.33748 49504.9078 85123.85715 56190.79734 45491.61136 55556.09838 568.8667957 40706.15342 43258.37326 42642.46499 41795.61943 43161.87196
4',4''-Dimethylepigallocatechin gallate 7540.755063 6250.714686 8232.133442 9258.826799 6415.512698 11111.55627 30498.67232 34070.44557 26715.60034 32069.46442 32171.19398 31273.9142 26088.05168 26158.97087 32753.80623 26076.21996 31336.72822 24872.92692 1924.474957 1894.821555 3430.597717 4457.870489 1997.85036 4156.250041
4',4''-Dihydroxyanigorootin 52239.03874 25903.63489 36853.8513 38094.67557 36949.33733 62986.05649 36962.90354 47989.77186 37514.64178 43906.2769 59165.02825 39018.91654 121508.0917 122102.2787 115272.8365 124540.2233 120187.758 126627.006 47674.97615 42356.15549 47595.80761 49345.92337 45087.65304 49893.04977
4''-Methylepigallocatechin gallate 68275.67343 92501.9445 91466.38467 93093.04188 91476.06129 89238.75963 111938.148 106333.6505 105002.4143 145837.4133 115394.9636 148718.914 1796.859798 596.1465118 2173.580565 3404.969846 9100.290844 4059.528529 880.5002679 1222.89716 2239.608781 2687.111235 1701.047748 5730.236499
3V[E,M]-bacteriochlorophyllide d 1840.784787 3939.870793 2078.428028 2503.360017 1923.486189 4095.515895 186.6117016 161.7299377 124.4073655 3875.486417 24.88147365 2892.191744 55923.87407 34783.94622 30050.45494 58841.43491 29272.64374 86948.59569 64550.35908 64573.55661 47479.98976 64505.4626 37639.69197 51630.73291
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-{[hydroxy(4-oxocyclohexa-2,5-dien-1-ylidene)methoxy]methyl}oxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambdachromen-1-ylium 83365.97388 81581.90776 84833.54467 88756.22186 86798.69736 80581.00197 89939.45817 88111.50052 81394.20626 81687.92289 88611.68799 86703.18003 3779.647387 1394.140247 1131.076392 1331.651721 1245.490204 858.1083685 1273.671922 1856.226056 1863.572659 1903.51369 1215.981911 619.2600372
3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid 49578.6241 48495.35762 44329.59156 45840.94547 43342.63661 41540.28165 30945.93042 31299.40945 32706.41401 31273.76728 26776.0641 29903.34369 11013.59611 8171.26033 13293.33085 8939.226359 4784.86247 14320.68873 1210.650803 1191.753285 1091.72784 1426.164605 1431.201334 957.052989
3-{2-[2-(Phenylimino)ethylidene]-1,3-thiazolidin-3-yl}propane-1-sulfonic acid 16715.36516 17413.57812 16870.39953 16574.43273 15572.78555 16997.69633 11422.31213 8275.652653 9270.712485 9636.594909 9293.707861 9801.109644 1300.406298 1633.736846 1574.67386 22.976937 1155.897194 1424.613798 875.0624792 838.0208241 1132.426872 1211.010324 380.0679391 959.0470175
3-sulfinopropionyl-CoA 237.1962801 568.0891071 66.61849921 164.9593236 10.00499158 120.7911405 128.0486307 273.4287648 23.42613236 90.77655895 67.59446326 112.2503696 318.8169446 94.68112869 109.2007302 260.492966 136.6525751 97.85270402 3194.982257 2410.280486 2977.658808 2634.23541 2066.831596 3112.63638
3-p-Coumaroylquinic acid 125416.5976 136502.7988 122292.742 142194.0652 126014.0816 130226.7833 46650.81744 147517.7097 128566.1073 147813.1407 180265.1205 133423.1094 7944.081375 2215.301568 2343.767182 3179.785766 7050.624085 8303.248962 3521.447708 1201.438016 3578.267499 4944.565114 2549.785206 1965.968322
3-oxopimelyl-CoA 1169.158835 862.7846842 2191.387185 1003.062276 446.7229297 1427.449617 1327.293821 336.4086073 1315.112353 798.1126848 615.5081349 1105.289492 12849.89152 14326.07067 11895.61118 13420.10759 13751.33436 11861.27518 6865.849486 8699.836674 6338.367883 8716.154145 7667.304624 6852.06363
3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]propanoic acid 46011.45284 47220.77179 39905.79432 56306.5203 41622.49026 50873.38658 249334.042 311971.9444 189243.5716 234068.5312 331649.0914 276338.8207 95812.07839 104019.225 108414.8099 125132.6343 125846.0341 135137.927 2082.924221 4512.218245 1986.902364 7567.921383 1317.70153 3892.786717
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxyoxan-2-yl]methoxy]propanoate 36.70764093 81.08690031 52.05129652 119.6880459 81.86401597 108.7076154 420.3119362 369.4675829 1020.862818 112.2592957 28.16184442 25.24862252 541.3215478 239.5215286 516.4973078 345.0803253 754.0787664 302.6440234 1463.265508 314.9757226 1159.62224 1250.563079 1243.617389 1171.534737
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoate 16648.26084 16590.15184 14562.9191 13792.65583 14654.74465 17135.17964 12802.51126 12670.51259 12484.57784 12139.13793 11969.29843 11216.99286 483.2130356 1321.249818 1355.693346 343.9299346 929.9293805 1012.565088 264.3575229 407.8823282 1178.431692 122.4760889 307.6140373 712.4293351
3-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol 4827.879839 5360.443292 5715.980045 5093.07122 6287.264057 5364.255336 10369.05797 9649.773222 9389.512841 9559.492648 9934.047914 10159.43866 10249.00013 15233.6792 3149.300262 10572.62474 10319.54749 3736.837622 15058.76709 5817.244365 16369.21752 16503.84452 17114.00934 16514.2498
3-hydroxybenzoic acid-3-O-sulphate 8913.172403 7759.236483 8028.191488 9616.375083 7921.141239 7959.517677 8538.304175 9711.697664 10019.81135 9619.174995 11034.62107 9461.73897 30278.44129 23039.4485 25085.06439 26961.24533 25367.97139 24342.9888 43879.02035 36478.41481 36960.62348 35033.97634 35144.28199 34087.30915
3-hydroxy-7-sulfino-2-[3-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-5-olate 62158.79947 59616.39887 20731.81151 59707.34133 63066.24384 60818.55292 31108.38775 39062.37307 32652.04578 34802.80109 28869.40877 42590.4642 5184.484802 5738.827758 4372.100879 5808.908998 5284.231243 5247.009905 117.6092413 2530.73589 3456.286129 144.6035154 80.75363021 3286.204446
3-hydroxy-20-oxopregn-5-en-17-yl sulfate 4719.284604 7650.400304 6515.103109 6661.300887 6898.110892 6147.145247 4181.03759 5352.410908 4889.730773 5155.526006 4934.218901 4506.074917 12548.8324 13706.27621 12223.46192 12709.96568 12658.11391 12067.2295 64224.55442 61734.13343 64596.20136 64511.2537 59417.54017 66162.13771
3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid 67608.7728 63366.59039 59783.89468 29567.69664 60696.98691 67039.77245 109962.5479 92345.63667 106899.1145 89250.25871 89362.39322 81982.48171 3976.230483 5768.531079 2411.503475 4936.669023 3938.992917 3550.558561 1330.525587 1578.524824 1469.246736 1403.082412 1948.889671 1564.393112
3-cis, 5-trans-dodecadienoyl-CoA 7305.084384 4422.230017 11185.49479 12220.0266 16483.26424 2860.793108 2196.19194 4436.474868 5985.743035 517.8159164 2227.105544 1912.418853 1711.643022 2595.931108 971.1605704 1590.596845 2720.496575 115.2840378 5924.546317 14805.44425 7779.25104 10691.08401 7512.931884 4933.423505
3-beta-D-galactosyl-sn-glycerol 476.617778 36.96815704 175.2321689 174.7871877 391.7887395 246.1485698 19.69287341 232.8997254 93.6323829 221.230327 197.1638746 84.55825539 3252.125074 4523.437404 3456.735372 3452.700278 4096.578408 3607.071898 7884.757599 5909.230109 5794.76252 6191.7366 5655.650509 6077.304053
3-benzyl-3,6-bis(cysteinylglycine)-6-(hydroxymethyl)-DKP 504.4448766 3056.419099 907.2326482 148.3589236 482.0572307 617.4876748 732.0161727 253.0971355 1290.11949 123.6876275 432.439409 317.7479263 9365.701036 7032.266944 8609.473918 9080.231144 7054.882033 6032.144241 17031.18729 15034.73614 18488.1443 16416.58913 14749.76063 18557.85731
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]-N,N-dimethylpropan-1-amine oxide 72.82654033 83.04480876 157.9337227 158.9353956 87.18895297 109.1609972 129.2214914 211.936172 287.421435 394.7380503 303.0246566 172.5254794 1798.142459 2082.354044 1263.074599 1504.934971 1641.931973 793.9285571 5509.088697 4719.350247 6044.029896 5256.615844 4511.584342 4412.817736
3-[7-(3,4-dihydroxyphenyl)-4-hydroxy-5-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8H-naphthalen-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 5545.384124 5042.976982 5069.208678 6756.711703 817.8694652 7005.239626 2870.46757 3074.931546 6525.035671 2700.688173 7810.66674 2637.527861 29413.27006 42274.94357 46900.12219 58259.28705 48626.17955 58076.63807 71832.45867 69595.71099 80047.14934 75692.3556 72166.53166 74217.11855
3-[7,8,12,17-Tetrakis(2-carboxyethyl)-13,18-bis(carboxymethyl)-3-methyl-22,23-dihydroporphyrin-2-yl]propanoic acid 9976.077241 10394.10226 11165.42017 11948.53168 13427.02146 12737.35976 9763.39931 9423.513411 11018.67899 10963.26947 10606.3442 10077.31854 122.670735 1218.145255 1596.038185 992.4612405 945.1112496 21.65405884 461.1125313 698.3678405 67.2021002 496.9215823 509.5223297 70.56232504
3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one 91.30272013 133.4828477 101.6365223 159.2275796 95.88901081 148.8662806 32.35505222 7.846233279 31.37121225 4.87073444 10.45691531 9.281849866 3.998938931 2.046840956 1.156084739 6.481672654 3.411402076 4.008406782 8.38639653 6.548010145 7.2776692 7.09286347 6.320592584 6.457993214
3-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one 47891.56451 44441.11492 4264.04769 37412.76602 14602.28363 13982.16932 42200.19929 28025.89326 23807.73871 34879.36979 31900.19217 27077.49864 330932.4467 319597.1231 321699.725 340475.2751 332389.3518 332746.9751 84995.3575 77116.57452 94580.11371 82762.0682 90363.13543 97367.21685
3-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 6097.481381 6671.586237 6750.81191 6600.025545 6987.355039 6850.779371 2771.374509 2388.152873 2829.550512 3040.962944 1040.62987 895.294994 621.9865823 334.9129834 515.1610831 642.1498631 169.9609229 790.7905806 15.78511768 96.44054381 273.9472103 171.7419386 16.21766405 145.6071911
3-[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate 63.23775297 64.04507794 332.2415867 181.2584434 177.4273115 177.2095351 84.74906999 42.60636524 59.47435282 334.360894 46.66375928 86.83528263 6793.770492 6819.956887 6247.061725 7193.290674 6331.314274 6222.938419 807.1990232 3629.146827 1420.494477 1895.075092 2520.909957 921.0453854
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxybenzoic acid 1076.860701 377.9790345 2228.684698 999.1001421 138.3052081 1031.849715 1052.200643 1269.259332 1430.589404 1269.062621 1762.286011 2252.101532 3272.771201 1266.372608 2141.87108 1676.224354 271.7168246 1628.788315 11436.95532 4827.582468 5603.251709 6319.633296 2936.869052 8462.143291
3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione 140449.6308 133898.3148 122994.4107 127355.338 130627.6106 116208.0965 126557.0339 122948.9552 134391.8681 130625.7569 117531.4995 119279.6522 101474.8273 100981.9031 94961.43263 92545.52819 90617.89672 85569.09719 97758.58268 112452.5398 101243.4489 98230.52424 103384.2214 95372.77803
3-[2-[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxopropanoate 10690.57048 823.1115421 8044.322104 197.0836599 5638.611876 1159.22836 54.61362979 349.0507877 1252.975562 1202.112748 908.8419198 2308.965634 2450.771153 265.9436487 82.51380582 3071.166886 102.1031788 814.4533174 26687.93519 23385.74223 27254.45338 24266.15401 23274.75792 28952.86567
3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one 26941.43614 25214.57203 24680.73363 31051.73535 22792.12037 20272.95089 13571.50903 11479.92983 7467.899158 14376.50487 10802.49565 8766.556171 1164.077958 1100.940263 981.8931711 158.4579888 1544.467478 1281.2285 390.3157282 1819.18831 471.775221 373.1451439 684.6719151 656.064765
3-[({4-[4-({[1-(2-Chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid 1386.114281 283.8696795 953.1095413 372.5508962 1336.627352 393.9176734 4564.963086 2206.603117 2740.163671 1997.516433 1665.412061 2780.28903 939.7009349 56133.13606 60335.35088 54887.92253 59775.08984 55074.52065 795.8269896 14034.04858 184.0110209 2014.398716 9699.991285 1536.326857
3-[(E)-4-Chlorobenzylidene]-5-phenylfuran-2(3H)-one 302.5051584 350.547887 243.869717 583.1601317 442.8771212 515.1914869 429.9580274 1189.727263 787.7563813 2103.859894 537.9255051 1654.46992 18.4923428 224.9957511 182.116773 137.1178724 34.44740346 64.7250485 198.4841743 64.3834963 83.84023402 22.48150481 155.9310474 180.1483414
3-[(3S,7S,8S,9R,10Z,12S,13S,15Z,18S,19Z)-7,12-bis(2-amino-2-oxoethyl)-8,13,18-tris(2-carboxylatoethyl)-3,17-bis(carboxylatomethyl)-7,12-dimethyl-3,4,5,8,9,13,17,18-octahydro-2H-porphyrin-24-id-2-yl]propanoate 702.5391942 316.9534656 434.7565955 960.5992083 236.9948117 935.6494962 38.48345104 141.1065143 212.0860046 217.4548375 129.561195 375.3199354 384.5144087 873.3606305 585.9920624 166.5478318 556.2820211 303.2705169 3252.259413 3825.028441 2479.936349 3393.199677 2484.338415 2132.724469
3-[(2Z,3S,4S,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[(5Z)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-[methoxy(oxido)methylidene]-3-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[b]pyrrol-6-ylidene]-4-methylpyrrolidin-3-yl]propanoate 1216.527705 1111.437432 2021.263669 1735.82939 1788.757684 1226.136627 1096.406382 1407.145349 1561.087503 1140.922832 1549.833988 1050.870838 6427.888663 7775.610934 6874.237215 8192.248213 8355.78999 6369.551378 3848.730299 3869.521968 3802.784997 4350.58351 3960.082241 4685.334104
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 102030.3688 99755.64601 88508.59754 305761.1676 95132.38583 67706.61836 160216.883 133913.4478 141479.5914 128984.0247 162170.9758 305815.0909 1219.136852 233.9359406 179.4608763 234.7704567 7131.578309 8374.246428 58.31650918 6954.738189 7666.245552 50.63017333 5976.78775 128.8868558
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one 525.2156861 527.1035013 1782.493231 739.4084999 1517.935426 321.5840477 156.5913926 387.1148652 116.3895442 434.5057552 504.5102 291.7849315 9028.435769 9766.871655 10759.6804 11980.10188 10169.42579 10437.34886 14586.34118 17083.94914 15443.68955 15295.68566 13177.68844 16904.17684
3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one 3404.375804 3376.555665 2552.264486 1762.774303 9979.971799 6136.432028 1717.846083 7039.153911 1742.581332 7390.216172 2138.042247 6440.532034 135433.0896 133399.6102 129595.1558 136289.4625 126249.7955 130469.0827 79785.51025 74894.39301 80710.28475 79965.69592 79573.71223 84813.52208
3-[(1R,2S,3S,4Z,7S,17R)-1-acetyl-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,11,17-tetramethyl-3,10,15,21-tetrahydrocorrin-3-yl]propanoate 559.9817723 215.3230534 86.92451712 167.755011 241.0213239 250.7542314 113.9724454 205.906897 126.1522831 89.18151853 103.9361621 191.0041453 481.7682475 292.0357097 293.1964454 536.0237422 48.53616999 292.1995343 2505.906789 2850.362571 3577.118767 3690.225143 3366.729195 2087.226053
3-[(1R,2S,3S,4Z,7S,14Z,17R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,21,23-tetrahydrocorrin-23-ium-3-yl]propanoate 875.9854008 568.5601061 1448.013607 168.8970493 303.3395073 380.7083204 619.9128125 801.9164602 914.0506054 843.7347426 496.6706848 433.6324193 6141.030117 5422.046096 7402.569513 5613.007842 4983.512857 5820.990639 13821.20398 14491.11132 14458.7493 15323.54623 16169.23595 15560.56309
3-[(1R,2S,3S,4Z,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,15,18,19,21-hexahydrocorrin-3-yl]propanoate 5641.229191 6310.203424 4921.115216 4927.721553 5525.599315 5524.996484 2794.980334 3287.844612 2214.660453 796.0060005 3118.639101 2433.523162 1706.999915 1716.791028 1779.946749 954.6603105 1927.185073 1174.116559 1086.791331 1255.966746 1074.042648 1110.641215 713.4711696 1195.122034
3-[(15S,17Z,19S,20S)-5,9,14-tris(2-carboxylatoethyl)-4,10,15-tris(carboxylatomethyl)-2-hydroxy-2,15,20-trimethyl-22-oxo-23-oxa-24,25,26,27-tetrazahexacyclo[16.5.1.13,6.18,11.113,16.01,20]heptacosa-3,5,8,10,13,16(25),17-heptaen-19-yl]propanoate 2111.687687 102.0393155 419.871719 298.8127836 457.2709422 931.4564546 73.72381041 324.2495073 401.4357408 124.6506001 353.3310658 399.4869635 5382.087514 6425.426801 8239.672883 7037.848315 6124.42068 7012.189305 3242.497375 3216.742859 3339.024565 4291.510565 1297.930873 3502.33413
3-Pyridinemethanol 954481.0866 943573.0789 924189.2638 987363.7792 931623.6354 907638.1429 603340.9875 649484.084 577269.1526 644064.9294 643885.6288 642748.4938 619324.2419 619324.9687 626950.3263 606043.033 345399.2303 636253.509 322463.8029 311167.0762 339264.7868 324546.9442 318001.7902 352065.2543
3-Palmitoyl-sn-glycerol 4119.215275 4597.95939 4813.149018 4369.632662 3816.202367 4187.421025 4029.339284 3577.184272 4255.423955 4029.945805 4179.431942 4488.313946 4375.663425 4850.278067 4638.206156 3822.338143 4470.491211 5958.062183 5942.993055 4305.30532 5064.290418 5122.12887 3535.405333 5696.414628
3-Oxododecanoic acid 27.92372405 57.63421069 6.27604397 14.83570614 3.106949567 31.8283429 5.60388859 11.35588601 19.71353569 7.301326231 8.155726987 18.44272418 1657.10255 1698.026889 1747.642073 1800.329042 1737.345223 1845.107116 119199.2183 107653.6903 122281.5868 118287.6975 116370.6001 116199.0492
3-O-beta-D-Glucopyranosyl-1-deoxy-L-erythritol 20385.15536 26972.25276 26449.69924 23858.08083 23536.5567 21211.21704 21881.48551 20053.02137 20166.97554 23044.84524 21825.17973 24671.33555 368.1336494 59.36566021 209.2854198 78.72351389 764.6623719 597.4195802 308.0966648 91.41413708 463.0809746 333.9611097 150.5639825 67.10860484
3-O-b-D-Galactopyranosylproanthocyanidin A5' 19610.40769 19875.20645 20332.57466 19017.38153 11653.26232 9348.30596 10975.96782 11113.02161 11598.55504 7678.631549 13049.57803 12280.83006 56088.04536 59883.13324 56923.82896 57767.12715 54862.22737 58942.78661 8399.611267 4624.250156 8603.235778 9266.383723 4918.43785 8482.88411
3-O-[b-D-Apiofuranosyl-(1-2)-[b-D-glucopyranosyl-( 1806.343544 414.824714 580.0737506 1769.725215 125.9047955 1098.843368 4515.771296 2969.083686 2846.284732 3561.266089 2428.187099 4644.456939 23590.60656 21462.66159 22410.4048 23233.8416 22542.88464 22434.86366 2279.407351 1038.206752 1402.047562 2119.389682 1256.819142 1723.078536
3-O-(6-O-alpha-D-xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose 1654.198307 53.14751048 1284.948792 167.6837814 61.85360266 141.3917991 4853.683974 746.2851585 3570.02251 3133.822012 306.84128 703.5556094 29003.45624 24311.8961 30476.32844 27344.8828 31458.23587 27593.92661 5740.759651 4523.754034 5893.011514 6171.552612 4754.397697 6800.917373
3-O,5-O-Digalloyl-D-galacto-hexaric acid 1,4-lactone 609.2936296 508.1036697 448.5733032 743.0596548 4715.007746 77.83302869 95.77338323 1099.493689 624.0968342 9762.121274 4403.962869 801.7296065 13388.71796 15998.53326 19396.33031 21036.63382 18034.19208 20850.18583 37605.52375 45575.64567 45644.51899 46046.99321 46703.09911 57373.09674
3-Nitrobenzanthrone 2008.077608 2075.50195 3033.152134 4716.357362 3934.835284 2826.91702 406.7613732 759.7624048 988.6827325 1041.284781 927.5155398 557.3642877 8701.738745 9014.634744 12121.85232 11207.98214 9303.575758 6213.425929 4767.100566 5835.433219 4165.779424 3322.885583 4439.830684 4282.934542
3-Methylphenylitaconyl-CoA 9073.655581 9943.819661 6240.415787 8959.873278 5790.60262 4712.467939 11770.71464 5523.864512 5899.1875 7352.114064 4674.871302 4817.94845 362.4261195 414.9440669 96.29605408 431.8494465 241.9024758 592.8740203 355.0086344 441.5404532 321.0523247 330.4926365 20.14894323 400.4331385
3-Methylpentane 5519.154302 7700.953527 5641.44147 6558.487019 5482.769306 5084.040986 2760.232798 3781.862228 3913.178761 3299.529874 3279.964728 3515.007397 910.7427238 1612.814999 1695.741588 1161.097518 1702.627549 1697.838073 691.4545827 384.3639207 718.8647713 942.6822369 637.0690787 671.6184207
3-Methylbenzylsuccinyl-CoA 2702.24885 1709.090558 2132.316118 3316.157552 927.5445606 1062.36861 5185.488147 3670.160806 2369.502598 4893.841173 2040.73918 3270.908024 13152.01496 12504.71803 12152.52033 20261.84374 6867.350713 15827.75555 16752.66218 15300.5363 17028.15077 17938.69557 15978.42075 18161.79509
3-Methyl-1-hydroxybutyl-ThPP 67560.88578 35204.83684 36905.02458 53742.84994 46587.97061 47550.05134 47106.58735 53804.51812 42914.92669 39888.04773 61644.96524 45250.91908 9485.000611 12574.09853 3178.269048 6448.432665 3079.950486 9570.3207 3139.484486 2458.717288 2188.944212 917.3298028 1089.5955 2001.721567
3-Isobutyl-1-methylxanthine 311.1802974 404.7700511 350.0885 492.9447049 38.55037248 307.9486285 32.90056715 546.706797 19.93973812 396.2961732 546.9438516 521.0207653 8608.885377 7589.419235 7470.278118 7905.323598 7658.72055 7630.111577 5508.799455 5086.043829 5824.705543 5374.962297 6117.714193 5656.113177
3-Hydroxybutane-1,2,3-tricarboxylic acid 3171.346765 4316.529809 3462.561168 3670.403058 2419.585826 1557.395888 1188.520269 967.3657883 2513.206729 845.8974004 1036.348347 2818.248601 10381.32592 14098.96971 13518.26352 13273.81327 13395.99793 14284.52049 7793.504311 20699.35059 21488.24667 21002.88048 22242.8006 21930.82821
3-Hydroxybenzo(a)pyrene 114613.4216 104333.7869 110829.8489 115058.6315 3212.142629 111809.2804 92948.89549 96878.9118 93471.60753 98867.42204 91774.16461 91512.36956 271890.1998 274254.2553 223881.7199 290577.2161 226680.4377 228043.2691 241515.1249 357135.7752 362086.1822 223181.4138 354811.1933 362154.6342
3-Hydroxy-L-tyrosyl-AMP 10234.54019 8549.473631 8909.666483 11773.66026 9437.646102 7221.28899 9025.41616 11648.24141 8536.982301 10088.53703 10951.9636 10463.9052 13695.18143 11563.23115 10759.56974 11550.71506 13593.92149 14778.70686 9126.246636 8614.31328 11034.2639 7048.997776 7420.356127 12345.63739
3-Hydroxy-5-oxohexanoyl-CoA 26499.1416 20641.00603 25474.15997 31047.53044 12123.56385 25640.67028 10946.14571 25377.73598 6289.203354 23119.18888 18148.72902 16820.20055 14800.88692 13489.55661 21167.01925 16347.82117 16407.60356 10288.80212 6463.396236 4122.803751 3821.491175 7260.137927 488.9316632 5854.673094
3-Furancarboxylic acid (3S,10R)-2,2,9beta-trimethyl-4alpha,5beta,7beta,8alpha-tetraacetoxy-5abeta-(acetoxymethyl)-10-hydroxy-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzoxepin-6beta-yl ester 1224.567671 923.3181211 1067.734571 336.9675871 506.1871832 582.6906633 401.3011662 216.5899563 222.7683493 234.5677092 325.3670473 257.7047739 15724.45998 13433.97097 13855.42833 13256.36676 12630.76492 14100.542 32386.24741 23896.45349 33549.54659 25405.09573 26638.90822 24684.33819
3-Demethylubiquinol-6 163.5822447 196.715352 223.7657532 547.5700162 269.5442942 165.5034054 262.5003969 1173.745088 114.762967 221.6838548 195.7542084 300.1141364 44225.43091 46923.03531 41765.91488 42108.43618 45687.63643 44101.89098 88230.47778 81904.35364 92865.25844 82317.16671 84905.41411 87077.51716
3-Decaprenyl-4,5-dihydroxybenzoic acid 1339.407225 1638.411076 163857.1071 228.5109987 860.6571877 1362.742326 9037.666336 11805.46407 7989.346435 7003.547717 12817.85008 5687.662598 4185.692777 3803.257612 4068.880525 2484.170111 13288.99248 6322.492336 23496.43347 14538.83285 22465.9416 18069.41597 13158.79687 19612.90899
3-Carboxy-1-hydroxypropylthiamine diphosphate 9576.350092 11703.20742 6933.949174 11374.89195 9583.741687 5713.429036 20035.00749 18140.8412 15585.75935 19217.65137 18565.44293 17316.06639 1066.538017 770.4376779 63.70660325 82.3523487 816.5195225 279.1696544 184.6461585 302.2173874 619.4566539 1083.530253 124.564612 313.6126377
3-Benzyl-3,6-disulfanyl-6-(hydroxymethyl)-diketopiperazine 34787.31149 34192.1845 36286.57108 46600.96928 32485.24281 34328.20141 30008.67461 30321.09348 31197.68587 28985.91875 27812.16948 26365.88849 511.3131418 196.772896 159.2076042 2385.824518 129.8976695 2227.119279 2735.146828 187.8263773 15425.12464 17483.25551 1453.139638 99.28100605
3-Benzyl-3,6-bis(cysteinyl)-6-(hydroxymethyl)-diketopiperazine 15.73248276 1008.430676 629.5506087 227.7001802 245.093549 266.6055436 2898.349829 379.2376579 344.3722897 471.4125665 490.0475983 445.5581751 5792.561539 8281.417564 7203.875386 7390.239598 7975.008043 8219.271748 7634.563106 7056.986444 8228.606093 8559.588426 8094.71965 7190.32882
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate 815691.7695 825165.2363 818379.3359 800721.2023 833195.8162 832151.9599 912788.3842 891492.9177 890339.3359 882942.2464 895300.5788 888069.0961 401458.4612 363832.353 358488.3264 377922.6554 368835.3283 352315.763 151945.2659 150451.2016 158390.6894 128324.4333 148773.3275 126022.1397
3-ADP-2-phosphoglyceric acid 827.4047123 438.8865022 828.3714914 1258.703307 938.5119194 250.0130834 483.1218444 318.316203 275.0366474 354.9380397 300.7135289 282.2318072 2713.920907 2522.291806 2763.526835 2086.911535 2436.292412 1516.262754 20716.15887 16494.28847 21761.92914 18088.83489 18015.43376 21023.52666
3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-7-oxidochromenium-5-yl 4,6-bis-O-(carboxylatoacetyl)-beta-D-glucopyranoside 8677.687404 7596.068974 5665.522432 6173.590793 4775.803249 9860.539771 4846.062594 5451.871626 4689.32026 5110.193752 5525.712746 4375.929944 637.1654511 308.3770524 1220.399703 1702.719931 1107.341456 435.0349544 299.7953944 196.1262053 544.8468019 196.948265 235.1715591 558.2887664
3-(phosphoacetamido)-L-alanine 6332.639146 6309.968557 4897.477724 5593.521156 4951.788485 4786.711354 4046.295515 3525.961172 4435.939593 3338.232016 3903.458459 2912.792809 155.2831102 61.07931105 53.31108136 75.71529275 16.18961117 111.037992 229.9035487 59.68916808 8.83076118 50.36742441 215.7760195 36.78521264
3-(O-beta-glucosyl)-dioxindole-3-acetyl-aspartic acid 28229.91926 7025.426271 19802.35514 24699.4708 19503.7772 16677.06783 13161.88395 8258.802464 19700.5784 11824.50118 13222.56511 10032.55015 104026.7504 91095.64394 94932.86688 72519.58198 13106.14369 109853.6736 604.0818187 647.7875109 1972.251694 3799.205541 11288.34741 926.8081601
3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 829091.5968 837927.9113 862781.4576 1024792.383 809058.1335 845864.7364 435855.69 418189.2794 425447.7079 426479.5517 431265.9488 425169.9031 6732.909844 8244.568884 10532.14531 5607.917184 7693.673787 7139.178086 728.0082721 728.0083 2467.320333 2855.118646 1840.702752 1180.032991
3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoic acid 2114793.395 2032706.695 2020625.759 2091229.018 1951770.274 1930270.741 1401203.51 1415101.915 1490847.092 1356795.357 1464353.583 1400628.136 101901.5699 52.2516921 72.6279384 88776.79492 88465.42817 56352.70981 153.2231071 42.97147084 85.64019567 115.7004225 388.2571978 36853.92757
3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 64923.94406 61683.61016 62470.9516 129528.8841 60696.7561 61142.32122 79126.37581 215082.9115 77272.05628 77763.2322 81426.98637 76952.29368 869996.5979 892662.4819 895418.9702 881912.5131 844530.8341 881554.1569 206009.1007 211679.501 218101.9952 215818.6119 225039.1205 215898.7611
3-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose 1174.364244 517.8585676 591.0385597 567.7532366 577.2189113 533.9929134 1018.867128 1305.06796 2049.692108 1321.31654 1238.206128 1210.863422 4040.81387 4227.00787 3388.740851 4353.2673 4387.992791 3596.189636 4259.348356 3771.699334 5055.013102 4256.262805 4493.511045 5325.418211
3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 55442.20577 54886.23738 58899.86327 53262.1054 10542.18724 45985.3346 15758.19297 39552.80157 52148.73307 52318.4258 52108.2149 48367.20015 6695.635906 9860.797533 6674.067214 6924.889198 7928.714605 6235.929074 2575.623056 2500.784987 3436.134162 3689.891791 4729.255143 3420.795212
3-(4-Hydroxy-3-sulooxyphenyl)-2-oxopropanoic acid 225.5179582 80.84144314 8.421184256 21.39965527 72.37229349 249.3224194 608.659054 284.3479612 341.3332869 504.7954716 540.4961044 561.8406048 4310.925215 3009.025034 6299.237839 2486.638763 3007.325616 2971.125247 2546.8018 2548.580965 2884.311748 2389.670786 2817.958221 2647.995103
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid 451903.3905 467169.338 469899.3357 480346.6089 466605.5237 433982.6687 313895.8504 309774.2824 303716.6382 309361.5842 331546.3482 308812.8828 6073.931241 2980.804302 1693.754296 3917.337124 1629.228365 1255.78887 1162.689559 883.6620583 305.7209413 832.0565083 402.1799395 2604.01182
3-(4-Hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid 30176.23814 32920.56143 11112.90464 12794.21026 10745.02995 28890.31886 2737.063998 2926.414243 4603.412551 1007.183088 2732.735435 1502.946931 409.1647974 388.4788718 33.41538756 50.12588803 37.22623659 219.0530431 82.45097545 619.4675976 50.04164481 16.62460645 617.5244219 35.76823106
3-(3-methoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)prop-2-en-1-one 99.67332226 72.25171287 44.03166662 81.3680343 35.5568927 87.25172929 345.6402868 290.1290033 309.676142 266.3769936 442.6884692 265.0001749 76.99767436 71.4408741 62.44537435 31.90063235 9.079862183 26.31957105 10.21786007 8.292935351 14.84270197 38.9869136 3.886207165 109.4166909
3-(3-hydroxyphenyl)-2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol 6217.808748 5375.012526 4440.759648 6211.958734 6410.986085 5345.907303 6029.769938 5259.092804 6567.823015 5365.397039 6237.160469 3489.815157 2377.880188 5508.702136 6183.767875 4240.357086 4062.717279 8338.522671 6004.560147 2444.974526 7244.986017 5749.182419 8758.436451 5327.149614
3-(3-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 280997.0302 295482.3414 306141.7332 301868.9976 309280.0233 319709.1119 239558.0776 236209.6463 228113.745 247436.874 206658.519 246238.3189 74100.90887 79430.42163 70620.12673 72728.41654 68468.67095 74779.03112 7750.859258 9189.007317 7328.237965 11500.83232 7833.454849 7095.752169
3-(3-hydroxy-5-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 6598.684534 7265.186753 1459.904378 628.427043 4589.17819 7793.606944 12659.0253 13053.18081 11788.89629 9759.741351 12564.51716 10687.69176 713578.9459 752659.5466 743136.3238 743506.2752 710561.7241 784365.4901 60567.57131 59261.82713 64832.38226 67618.44345 64273.99103 58643.93891
3-(3,5-dimethoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)prop-2-en-1-one 753.3214449 321.437498 125.9658136 327.0605962 149.2838819 574.1933692 1469.145824 1167.658269 1193.071529 1067.107191 797.112313 793.5061798 7527.164018 5141.128416 5252.617533 3907.688775 5521.775594 4171.787306 1830.620683 1369.266118 1924.973211 2037.930325 1260.850937 1597.884735
3-(3,4-dihydroxy-5-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 136034.5584 123373.3993 120382.5095 112209.2841 99670.79325 112665.8738 92573.90642 84864.16949 86255.73677 80804.73126 74467.95752 75515.28363 97758.15239 10497.33745 11152.55519 13399.42395 13392.50403 9840.18926 9324.641026 10290.10047 11442.46029 9241.251053 11520.86897 9829.981286
3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione 45404.0361 46882.17131 47683.30316 48737.47588 44775.41003 43986.41328 56967.92085 58752.10524 52052.39756 53201.89103 61449.37277 62990.77109 353.0773669 433.8110928 2397.113497 3046.64377 452.4738643 751.6120997 608.5983302 131.5036536 135.871127 100.3403628 579.2683337 335.7797535
3-(1H-Benzimidazol-2-YL)-1H-indazole 33100.13489 36249.37703 33363.36002 37737.99822 33483.69056 34851.83962 35176.39539 34407.73378 34480.457 35147.89721 37287.41593 32580.76254 9356.17428 8662.122152 8877.711362 6356.303457 8898.229181 9936.688502 1110.546393 1919.850576 2019.404925 2093.847094 2078.232203 2906.621628
3,7-Bis(alpha-L-rhamnopyranosyloxy)-4',5-dihydroxy-8-prenylflavone 180.8163504 372.3628802 268.7778205 246.3010396 303.162962 34.53171777 313.7742901 134.5307365 129.2072935 31.87545532 297.0547917 168.8398516 2942.962284 2633.520706 3400.698802 3793.048691 3301.447851 4321.774857 3479.709564 4175.450289 4169.355806 3140.34623 5020.41928 3616.815467
3,7,11-Trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate 36837.27807 29897.84175 28275.40609 36866.72309 33725.19511 29585.98666 12905.30821 13825.93267 19668.3565 11983.35528 6354.745858 18013.21104 6055.401186 7567.635958 7998.04706 7786.11756 8590.360661 6105.495096 3768.928889 2518.963358 3080.820009 3667.54555 3661.386104 3505.471864
3,6,8-Trimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone 11846.36279 10830.64426 8203.32392 10286.67473 6118.260989 12140.60679 4237.375184 2568.971506 6294.001034 4604.705798 4901.232196 5883.756213 1093.142909 1360.877887 756.4051058 844.921148 348.6371912 696.378245 713.7955878 471.8291382 305.767389 387.8043921 478.7230117 632.9091405
3,6,7-Trimethoxy-11,12-dihydro-9a-azonia-10H-cyclopenta[b]triphenylene 782.1536835 1953.370689 2736.10575 3163.477427 2152.172232 2560.223413 1737.51535 1949.227282 620.6175503 1234.713363 2074.399016 2094.495785 10409.61221 9416.108258 9865.078035 10512.371 6826.895199 9411.762288 8770.70345 11111.53093 10496.62481 10569.34887 10970.38355 9822.128615
3,6,11,12-Tetrakis(acetyloxy)-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate 27768.37472 28262.01701 17527.72179 22230.27878 19285.83737 31171.22388 71119.98633 84497.27824 92741.40384 74106.91815 97903.98212 63682.15153 10006.0086 9221.457811 9293.217496 7158.182977 6935.82828 8341.268265 6173.843782 4641.951382 3687.099637 4965.689247 4377.88038 5304.289914
3,5-dioxodecanoyl-CoA 184443.4443 182384.3151 97452.8013 116130.4952 111871.6332 132690.6419 112430.825 165630.6197 107952.6673 105354.1011 113467.5091 97612.73611 1836.051959 1162.051712 2220.449179 1049.526205 2781.693332 1223.77564 247.7508505 576.0246598 2736.908752 519.6491956 400.0817499 429.8202285
3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-) 5679.381598 4385.632955 3610.261293 4819.30551 1652.046222 3928.075028 8309.456295 7921.987689 12769.72889 9002.17517 8356.077772 9336.455627 212.1533503 490.332128 643.6399843 309.7060728 532.4463419 716.8837985 177.2070164 150.060757 178.0403203 252.3526356 580.0663182 78.78859623
3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid 4409.162085 6756.216307 7531.207775 8221.95019 7294.096027 8119.724877 10378.09218 9606.861049 8655.832657 9711.754169 8453.971091 9427.690496 38501.56369 50040.62709 38352.7789 38366.25074 38809.43855 39769.94913 15644.91867 16950.24003 17199.47782 17144.16231 22499.78244 18498.6556
3,5-Dihydroxy-4-(sulfooxy)benzoic acid 443605.811 431517.6952 461189.0238 441673.5654 392154.7792 442447.9589 216407.5133 213351.4071 206852.3711 243159.1676 237489.8136 216672.1879 1859.17053 9737.893563 16546.49828 10879.32542 3068.801359 15862.9254 3372.200567 12440.65857 2640.974562 1486.862667 1231.068142 1106.614949
3,5-Dihydroxy-4-(beta-D-glucopyranosyloxy)benzoic acid methyl ester 4164.717059 4678.209746 17308.01306 6834.269511 7072.225007 5162.237518 1680.395094 1636.326796 2604.245327 3772.189123 3449.279817 2560.179712 879.5596153 481.0068605 106.3429235 1318.995649 214.9677931 484.3798893 429.2625248 258.0769974 315.5128447 403.4581548 1292.317634 396.8082036
3,5,7-trioxododecanoyl-CoA 6229.986912 5825.099132 5877.80138 5981.443021 5415.686184 6027.406571 2945.851207 1696.774563 2229.379488 1772.997266 3112.306288 2144.075258 248.0771725 284.1645319 143.947071 338.7030369 142.854475 319.700727 26.93564163 195.6752282 32.3226506 227.044238 37.70962953 215.7056504
3,5,7-trihydroxy-6-methoxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 6055.841166 7419.022626 6664.68432 7325.821719 5709.688201 6329.820227 37754.32226 2124.074584 910.0620834 945.6303968 151.3470314 54.866179 811956.6591 758695.5428 705505.5243 777075.309 712330.8718 796376.6298 271199.5147 245683.672 275257.7142 323950.4852 266104.7964 274207.607
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambdachromen-1-ylium 1852609.988 1765818.419 1779224.803 1915898.854 1800362.332 1775801.886 456172.5254 472485.9991 433930.7988 467540.1783 458752.7875 422777.1039 2201711.556 2203784.302 2088231.176 2335600.463 2274902.079 2192942.696 562219.7758 501000.2808 563390.9894 542358.3266 547143.9666 574445.5679
3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide 86021.96979 90007.59128 119419.516 87684.02248 86777.88404 83876.52229 66352.41647 69945.28446 72743.01282 67743.69372 66032.72376 59174.95779 1074.180802 953.2443356 1841.920199 751.1146221 4018.897806 2848.215999 1860.521308 286.8651271 1429.056622 695.2083512 1032.864132 4139.940097
3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 338943.616 486117.3779 338183.6265 427758.6979 467097.5679 339783.2392 833997.5347 839522.3501 717458.1504 888477.9616 1953591.759 905997.1384 2403364.065 2067083.571 2242244.339 2155841.238 1798669.83 1936575.663 1094375.319 982165.2392 1209025.341 1073354.944 1013546.874 1122372.761
3,5,14-trihydroxy-13-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one 283328.9005 293279.6505 284198.2891 288574.3964 275438.4571 275228.2141 243531.9514 240975.9866 244028.0141 241498.1068 260600.4433 240413.2909 54507.80002 9412.709027 751.8966417 14571.29442 32775.02566 6364.04573 877.3913391 2809.803423 693.5552891 2036.04702 896.4662989 13578.34007
3,4-dihydroxy-5-[3-hydroxy-4-methoxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid 9229.776405 8462.881699 7076.244481 4366.863436 7920.940144 8471.191715 1381.040592 2956.950393 2429.86487 1984.421483 1551.344341 1253.857846 2255.111926 1132.063927 1266.437497 518.0564879 1683.433991 394.7851323 2903.520486 4163.723894 3020.531965 2463.173737 3670.346549 2414.056658
3,4-Dihydroxy-5-[(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)oxy]benzoic acid 585.4444522 394.390805 332.3057968 521.0386501 208.8227377 514.6810634 29.12258691 161.2954648 212.0714996 623.8076358 394.8421898 350.9658199 8714.228752 12217.99179 9743.826819 10716.93247 8380.635747 8562.249125 9703.554183 8484.070054 9668.349017 8753.233546 8842.831272 9076.753293
3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid 54751.70948 57691.56734 51820.1281 52754.75065 46466.66942 38037.93913 83625.99678 83295.08294 83169.21367 83602.89129 91086.10364 86583.92579 710419.5134 683082.9041 727224.2041 716788.0408 709281.9419 655297.5826 407637.0711 416908.155 391504.5314 404218.496 422754.9219 470126.0028
3,4,8,9,10-Pentahydroxy-6-oxobenzo[c]chromene-1-carboxylate 55070.99143 57621.69287 62808.05536 58323.67113 52720.64256 86942.11688 6127.564719 41932.91223 12561.10114 20623.82143 22939.70132 9448.297407 684.8588177 10128.97707 1048.196943 9267.373426 25323.50423 872.4192814 4581.416849 3754.804372 6096.798849 6576.915517 519.4352713 5494.102217
3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid 2097138.979 2167222.479 2167443.979 2358757.937 2094514.991 2205781.382 1034216.58 1067447.408 945171.2292 999079.4491 1106368.173 1024199.302 2741334.453 2767014.922 2718551.405 2777421.839 2769215.974 2759122.104 871143.7823 797837.6553 863057.5861 860069.4372 863035.0732 933400.3211
3,4,5-trihydroxy-6-{[7-methoxy-3-(3-methoxyphenyl)-8-methyl-4-oxo-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 428598.1982 417335.1743 407588.8872 418313.208 415610.6903 390008.4346 376022.4011 374372.1391 377761.3246 371674.8745 387936.859 361197.788 3230.314618 1771.285168 16521.60581 2757.484285 6484.922576 5355.99445 4642.183384 2126.111097 4312.018966 6678.748593 9008.282056 7127.532871
3,4,5-trihydroxy-6-{[7-methoxy-2-oxo-6-(3-oxobutyl)-2H-chromen-8-yl]oxy}oxane-2-carboxylic acid 892866.8745 853711.617 860129.3159 868477.8771 864935.9357 823863.9235 758662.1451 739951.2781 767161.3214 754733.675 744244.9497 790291.4137 1992408.219 1983123.772 1978338.539 1929160.85 1937437.435 2797077.515 279535.6182 300221.8316 286933.8039 319056.2158 301295.1168 290271.5205
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 21724.51309 15037.07251 6910.144272 5089.774979 5805.165597 12839.16191 38388.7339 42070.24281 34403.38481 39664.44168 50109.68158 37876.63298 2665.427823 975.1017378 1662.569245 651.7125466 1732.425839 797.8800643 577.3569172 1252.322853 857.4627092 368.3810842 5460.992079 634.2270407
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 3702.593308 11152.96794 2778.637357 5579.465713 6158.212583 15403.99363 4960.015691 4442.768193 7508.255189 7975.063447 4156.344356 6684.890796 93536.3705 93391.70991 114273.3622 97693.16891 90607.34773 100265.0217 16183.48012 23628.26782 23814.85211 22662.98989 22157.77298 24072.32774
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8aH-chromen-5-yl]oxy}oxane-2-carboxylic acid 38418.98077 37939.87447 34904.24396 34009.67028 36882.03595 35162.66825 30526.81175 24462.21549 20734.2875 19805.09102 24296.22795 19419.70285 41389.12877 28156.11437 37937.77896 24285.54843 24572.2333 41820.20278 13329.61766 12159.66878 26226.24037 14209.83156 23524.99563 38079.137
3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 4127330.355 4211237.292 3918367.161 4059663.766 3949836.362 3892075.738 2328740.683 2361094.326 2343600.681 2321757.371 2336906.378 2247814.128 238258.7859 169380.836 166928.8582 175246.4289 169561.0966 169155.8962 70723.19932 74579.10583 75314.73204 86146.80941 78241.50349 78866.6374
3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 13675.0252 13230.88936 2796.500639 12969.88867 12329.30849 12238.90512 9719.484732 10304.03436 10288.45902 8514.964769 10164.08711 9589.741169 174.5644165 1202.571313 6620.091004 1211.971029 7856.360708 1046.563426 1516.207136 1503.542364 2535.61566 1193.101162 959.8707344 805.1573294
3,4,5-trihydroxy-6-{[7,8,8,13,22-pentahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}oxane-2-carboxylic acid 35514.84984 28636.74962 21609.68648 20398.71758 14253.55676 36437.27238 12933.41765 11569.53462 10552.72579 8359.100137 14202.81837 14786.45443 17395.35507 22224.6427 16162.19795 16587.11433 15492.12904 22623.51192 19491.97509 20861.2027 23499.94398 19446.46293 19401.70398 17099.91367
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 227.6637556 89.0711238 115.2740796 194.2526751 23.51723914 226.3145662 199.7314769 102.1229701 271.0370929 112.9410669 88.05194769 56.323153 17.91224718 5.781307226 46.72375636 92.07826899 65.89556653 60.31155994 32.58750585 2.743664045 13.13040287 3.07682149 3.370791616 14.16898574
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 167570.3914 158845.6364 163609.5389 149709.3666 152239.8764 147498.2245 117137.3914 121755.6394 116796.0044 124050.5196 120542.8542 119812.0527 132963.6422 134548.2698 130701.8566 130657.328 118577.8742 123901.9514 65975.56571 69168.11092 72729.13938 66168.84065 72168.98547 73657.86668
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxy}oxane-2-carboxylic acid 15764.17719 22516.18353 29810.49868 31703.46378 47844.03816 12494.43599 99523.62216 99039.37991 96843.41823 99710.68433 92361.54376 100980.7122 1017729.563 1000153.811 995815.5367 1025513.565 990087.4476 989260.6799 987033.1367 928679.6121 1005499.308 1007980.923 934303.685 1018683.574
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 1231.075588 1801.627884 1510.223967 663.8310788 1589.125678 2150.229189 6618.38546 10400.92125 5822.080765 7868.411623 10050.6332 5014.545872 92864.36147 40136.48215 90355.65621 90010.19503 41804.8509 98727.13043 10243.40929 8626.165762 13305.06048 12232.90303 10307.43753 12679.86966
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 121.5057467 264.8970244 80.76926561 106.0596648 151.2238204 257.0480648 515.9404551 654.2855722 491.2525246 221.8126555 178.8296432 407.7337022 271.5701934 3272.597402 4270.526964 7108.604505 7768.952774 3139.640541 187.1795535 651.6124652 352.2050718 187.1123268 173.6286535 310.1054537
3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-methoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylate 1344.848739 1314.332442 1237.737742 2513.821378 1664.291983 2535.198016 1432.486735 1527.277505 1753.755516 3059.782427 4844.400148 453.1652322 62435.93449 66948.18745 71002.02295 66286.39136 61374.81254 65584.48219 126990.5558 135976.693 137570.2752 147770.3099 142855.4685 135765.2715
3,4,5-trihydroxy-6-{[3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid 51394.30897 49518.3244 50755.37119 50739.93905 46375.74601 47468.26122 153768.5791 152494.6819 144577.7466 152120.3331 165361.628 154026.2371 19063.3251 15159.99098 7778.300949 19555.40417 3068.471919 13704.0282 2018.501858 5452.053536 3054.477107 4161.139035 1918.319217 5555.211261
3,4,5-trihydroxy-6-{[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}oxane-2-carboxylic acid 420252.1828 336863.9405 307344.1315 282053.9518 258605.8084 193815.2508 168462.5616 155032.8614 276076.1037 190613.1971 89665.88236 138648.8434 7946.681069 11135.14123 17516.68035 12711.25016 11685.66899 14544.42155 1691.433328 1447.643997 1272.608545 1430.74921 959.4515664 2549.844988
3,4,5-trihydroxy-6-{[2-(4-methoxy-1-benzofuran-5-yl)-2-oxoacetyl]oxy}oxane-2-carboxylic acid 8805.279459 7961.862062 8709.84092 8853.551507 7586.280195 8928.800746 8074.436651 10003.50822 10297.42671 8967.700691 12139.29395 9473.547079 8593.324025 3678.443918 4245.397921 4040.869189 267.4547814 4183.669965 6313.694871 39371.58227 6189.034589 12847.93456 38668.50458 8013.178631
3,4,5-trihydroxy-6-{[2-(3-hydroxyphenyl)-5-methoxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid 292.1065016 151.8552067 95.36117588 158.5930142 68.98922883 145.6784174 76.31204078 211.1257654 258.5088055 92.20897456 191.4200848 333.6157284 3191.25328 3935.952889 3513.559157 3736.582482 2878.047753 2810.729505 21290.1339 20772.39347 21167.78695 21175.27491 20283.96997 21537.81622
3,4,5-trihydroxy-6-{[19-hydroxy-7,7-dimethyl-15-(2-methylprop-1-en-1-yl)-13-oxo-2,8,16-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(2)]docosa-1(14),3,5,9,11,17(22),18,20-octaen-11-yl]oxy}oxane-2-carboxylic acid 6929.1198 15947.35997 7912.452242 9817.734312 9620.736983 8370.21637 7766.512133 8305.924776 8337.863087 9339.418739 9740.787024 10965.89535 138715.4342 66922.85161 79183.58965 77332.50945 116250.7946 87045.41873 64385.53416 29770.81209 29081.19401 54763.50939 34347.54468 37678.33469
3,4,5-trihydroxy-6-{5-methoxy-2-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid 1565067.977 1346814.883 1502290.916 1738777.617 1511085.3 1337697.98 1906379.179 904726.5724 928111.767 1918897.028 1959047.065 1866760.617 2963152.997 3017933.339 2850884.229 3056778.241 2977949.055 2913595.627 1346125.871 1345159.289 1383092.109 1368468.827 1398954.211 1421009.066
3,4,5-trihydroxy-6-{5-hydroxy-2-[5-hydroxy-7-methoxy-6-(3-methylbut-1-en-1-yl)-3-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-2-yl]phenoxy}oxane-2-carboxylic acid 145337.974 133806.5838 126423.7197 132545.7159 125527.57 127225.8288 66934.58852 67653.88878 67635.87404 63454.39594 56101.23613 54092.11174 44928.33657 44467.64233 44245.58174 42486.71151 43426.27793 35372.57972 17070.23658 18120.41906 15205.38582 20697.76502 17295.43632 18721.73915
3,4,5-trihydroxy-6-{5-hydroxy-2-[(E)-2-(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)ethenyl]phenoxy}oxane-2-carboxylic acid 59601.37542 62317.89175 87663.64808 86669.66678 58531.80197 79230.1703 45875.71812 45899.40571 27357.863 24151.04386 69061.37594 24459.34928 71129.04342 77835.63092 82522.09062 71280.34732 71425.49356 78448.77753 59897.69957 76161.07835 69271.08858 71952.35786 81186.5058 76502.84763
3,4,5-trihydroxy-6-{4-hydroxy-2-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 15980.27194 16013.46563 1063.980735 6775.863462 11527.16034 16382.32029 4338.885426 32863.34259 30163.70963 32557.19021 32382.4591 56426.7353 104453.4535 39364.40168 34724.10903 38147.31382 109371.5227 37786.33515 13934.33528 14046.45836 14259.30206 14127.61838 13098.20411 14613.72483
3,4,5-trihydroxy-6-{4-[5,6,7-trihydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl]phenoxy}oxane-2-carboxylic acid 7219.075887 7451.392036 7793.585525 8346.191291 7040.498649 7135.256702 2302.057357 4394.313091 3253.470574 3937.934931 2190.476924 1800.765797 119.8782376 900.0388651 1073.113997 20.7281667 3290.278922 1182.338477 328.44015 89.04443109 323.8089269 148.8975655 70.73478148 299.4124314
3,4,5-trihydroxy-6-{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid 43478.23 33377.34332 35512.67429 38140.79851 39585.67964 42085.2543 27604.27495 23878.3263 27399.25499 20280.96337 26347.99908 23631.06939 11753.41461 14535.87927 14842.7948 18456.70536 13186.37276 12708.31743 6585.403479 5590.460364 4435.151692 6202.035046 6314.725728 6152.06969
3,4,5-trihydroxy-6-{4-[(E)-2-(3,4,5-trihydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid 6864.445616 8505.583696 22352.76803 19812.82519 13758.53112 13934.86588 11939.46022 19464.36776 36839.90484 20490.86876 21488.85777 28051.78504 333206.373 352757.5237 340269.9798 340921.5507 347956.0072 336732.6676 170699.3122 158059.2003 176758.4348 167012.3465 131095.6573 190942.0153
3,4,5-trihydroxy-6-{3-hydroxy-4-[5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl]phenoxy}oxane-2-carboxylic acid 750.6495577 426.4891574 497.8937869 1358.940304 332.3200236 609.9535816 4234.325435 3624.561439 3031.912887 4695.284696 4278.961951 3155.775266 20126.61965 17918.2334 19797.20198 17777.5356 19214.14803 21615.33259 630.1766533 103.6785717 1026.274863 184.9194015 655.0270601 913.8883349
3,4,5-trihydroxy-6-{3,4,5-trihydroxy-2-[2-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid 204889.3464 226915.2262 36252.90853 179227.7878 78843.0891 133325.3761 9852.704268 119331.5398 54185.79001 159426.5012 151049.6635 6471.873197 1025042.52 1021418.344 976828.8276 1026809.403 988652.3335 997404.6266 717784.2475 371432.3902 719636.8025 722937.071 695761.7461 736921.9247
3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid 11415.08399 10503.08734 13959.71395 11641.62034 10699.13966 10242.02696 13571.24843 11955.64368 12961.57576 12048.99163 11585.56135 11652.31672 31725.45347 40079.8249 37812.37519 34906.85998 34577.04132 2301.484503 41781.33264 40559.53949 43619.30894 40535.95055 40938.9319 44791.65884
3,4,5-trihydroxy-6-{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 28153.82817 28613.25177 62073.05818 59920.43161 889.8282604 23545.50304 49292.05535 48793.31668 117133.874 116875.2854 50947.49483 45840.98614 9151.415753 28746.54169 16891.5421 28222.77202 19918.93142 28187.66383 13460.89629 13145.10671 14313.52109 13060.8587 20059.41201 20710.22413
3,4,5-trihydroxy-6-{2-hydroxy-4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 30069.85809 22124.9291 1346.12877 16140.34983 6706.179469 28272.75925 124818.5144 98776.29371 130185.2806 68459.35651 125743.322 104735.748 134406.4222 125967.8994 123458.9767 115710.6201 140210.6601 113437.6115 12328.73643 5480.52809 15318.94676 11817.91281 15406.70654 16188.02721
3,4,5-trihydroxy-6-[5-hydroxy-4-(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid 164060.8576 124426.3285 21018.02956 22962.80464 22422.14804 153291.8333 230495.2618 98648.45797 218068.1447 92914.28246 248453.6818 235860.1674 111886.9068 114716.1293 114301.9501 119156.7143 111054.6548 114157.8392 85521.2467 82979.56954 88182.27443 86926.74428 85200.44802 87985.55636
3,4,5-trihydroxy-6-[5-hydroxy-2-(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)-3-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid 113.2324385 355.7406442 11291.16758 174.8911187 2803.880802 4228.607798 1051.063014 10464.50109 467.1378123 9254.310891 221.3074666 2396.943965 14238.10261 16187.27427 16479.81434 24143.97645 23129.16894 21721.50538 64234.85977 60837.0561 64368.90407 72554.23179 63560.87756 67938.5801
3,4,5-trihydroxy-6-[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenoxy]oxane-2-carboxylic acid 59504.53373 31367.15458 10183.98533 26358.58795 26519.75288 36813.15616 328462.9926 326833.2043 314710.8947 370062.1626 353043.806 370775.2919 213059.5425 157921.0295 165288.0554 173285.1982 103055.1343 170931.477 193518.0792 176615.4067 193740.4438 187943.561 166956.5882 192014.3691
3,4,5-trihydroxy-6-[3-[(E)-2-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-2-carboxylic acid 1081.719138 652.9577908 519.042615 504.8734454 461.811257 1061.674743 5008.360271 4993.369732 8536.795541 6818.347665 4576.305066 3793.935227 3799.693722 5891.899712 8312.27093 11777.9172 4896.31235 2755.94478 3997.072388 4278.301342 6206.376498 5546.148212 3188.849995 5793.68319
3,4,5-trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid 17011.72358 23469.31212 20451.98171 20039.93689 23254.00096 16643.96328 26321.8465 29994.89918 25820.12125 28064.77765 24226.12583 24680.8534 11132.48971 6472.751809 6216.121531 5453.483417 992.8873952 5196.869022 11130.32866 34177.55187 40458.62314 39658.49108 42962.03984 8474.70607
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 2915.897877 3114.99539 2582.298064 4222.84969 2225.760594 3691.211461 3976.510958 2463.485658 2826.151877 4243.514099 4557.717739 2828.825016 26079.88046 34210.53512 23330.22584 29532.95067 27421.30232 24525.21343 14643.62267 13686.5342 13474.51293 13374.30028 13356.56867 15001.8124
3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid 70596.26026 75666.72646 57711.45383 78896.95806 70813.16652 70036.18987 79437.82648 85549.82456 87431.52062 78796.72374 75546.43453 76729.36127 6266.413373 4426.836321 2154.745567 7625.932748 2968.088744 2132.631413 19416.61498 16783.21289 18665.71609 17184.95936 19258.42666 19672.30356
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 5211657.982 5348115.037 5324515.538 5732147.603 5277773.437 5396218.005 5467261.154 5572635.53 5091246.763 5591082.435 6184594.573 5842707.019 33440.39249 30722.28324 17419.58245 16422.77544 19276.42756 20653.79229 6354.50156 1624.53622 2501.060756 935.6285632 813.8203001 924.810633
3,4,5-trihydroxy-6-[2-hydroxy-3-(7-hydroxy-4-oxo-4H-chromen-2-yl)-6-methoxyphenoxy]oxane-2-carboxylic acid 104254.5689 100762.2017 140651.7942 109938.9782 164540.9282 103606.6467 21579.55047 50634.89302 50170.11187 23159.82656 51393.80468 47399.55132 438549.5076 451237.755 421059.654 476942.139 460433.6665 441528.5405 145400.2887 135552.826 147868.779 147254.9964 143529.9834 155660.6175
3,4,5-trihydroxy-6-[2-hydroxy-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]oxane-2-carboxylic acid 39216.17292 39391.95252 13791.77261 48139.65881 52187.47212 30191.90167 47301.12393 46981.09598 41461.02077 43701.2441 44315.5862 42853.51004 209361.7683 193369.9762 179672.476 199770.5533 190839.6544 199435.9396 629435.8783 598825.0253 624194.9234 615722.072 590806.327 634781.9449
3,4,5-trihydroxy-6-[2,3,6-trihydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 892821.631 979672.8132 1009726.757 1091483.204 944683.7032 1032332.478 993097.1123 1028835.3 874445.6585 959044.4993 1051875.564 1054024.669 4340.977408 9192.807919 3751.068441 9673.622367 8178.94045 5894.411674 2523.312065 2289.474535 585.2687011 991.3492654 327.9904314 1388.034545
3,4,5-trihydroxy-6-[1-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]oxane-2-carboxylic acid 42714.62317 90359.47316 83217.44965 27740.96569 90641.96956 87452.22175 69135.16761 58685.64812 76765.34268 76670.74254 66938.21272 73088.09874 57240.02061 49079.56964 59442.03269 52750.0118 77283.57568 59309.6108 69480.58526 79801.46156 124586.0708 81726.19694 80717.61956 70150.74189
3,4,5-trihydroxy-6-[(8-methoxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]oxane-2-carboxylic acid 35076.75228 34321.06662 48405.31584 52866.93975 34113.03364 47081.79969 28106.48309 24545.97624 24694.66315 21827.48262 28584.64513 25269.22259 51.99262352 2070.181218 182.2630939 51.0298451 12.51668786 133.3521873 1888.144444 62.40781528 28.52006998 1575.902046 108.4776411 52.76682481
3,4,5-trihydroxy-6-[(5-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid 78690.60131 67050.33231 82815.72708 69557.5448 66632.42802 69941.68756 146744.3896 80014.16516 139927.0484 143528.9328 153792.4312 136632.6814 588040.3873 528167.677 217594.1672 258931.1566 245508.6018 503381.5997 121687.6575 189755.5724 133395.1489 129638.4598 201863.3314 137018.5717
3,4,5-trihydroxy-6-({7-methoxy-4-oxo-2-phenyl-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid 3616.137613 1137.601279 1066.721188 1498.903797 219.0608701 1489.277477 697.4145574 9703.850028 1324.962905 7340.092261 998.060459 603.2338597 93989.98706 92938.42483 97943.80936 87605.15656 88609.18079 92984.07578 75601.12842 69799.69353 73595.98966 76399.80276 73780.15853 79378.09961
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid 209703.9869 216512.6267 208334.1459 204692.8664 199336.831 225551.1116 190873.0211 200248.5697 177294.52 174745.347 210688.1141 185966.6917 18215.14205 21003.44549 18993.66762 27595.58747 26690.02992 259.7827653 13891.27055 13723.02184 15149.54688 11070.1701 14976.65533 12326.49296
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid 165116.8277 145577.9448 186119.9768 225189.2666 167391.7989 158426.6785 99921.36629 101550.0885 98814.50207 97820.44255 88996.94481 109393.4673 15828.07711 25677.8959 22568.41924 25210.5958 39706.34105 38397.58068 14993.93521 21897.70832 17474.11094 22923.26651 12404.08548 17083.65707
3,4,5-trihydroxy-6-({7,8,11,12,13,21,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0,.0(1),(1)]tricosa-4,6,8,10,12,14-hexaen-6-yl}oxy)oxane-2-carboxylic acid 15415.75463 14579.87058 14071.07289 14691.03084 4543.576197 14108.23808 26627.81617 22363.56035 28252.36616 20622.52588 24499.41984 17285.90678 3722.317108 4978.927108 1519.648466 4463.036113 4068.131655 3221.317927 1853.147582 3631.746639 2740.019643 4027.572751 3266.909944 3104.216982
3,4,5-trihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-5-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic acid 309.0792261 336.3672057 103.9853536 344.2598866 163.086621 748.4562837 66.08989481 25.6468564 1242.58107 21.37239601 1087.882729 124.2881699 5284.958832 4952.089482 5043.294558 5149.240068 4621.104127 3922.546232 4073.481053 6050.956753 4274.911992 5350.774111 4016.367616 3707.613672
3,4,5-trihydroxy-6-({5-hydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0(2),.0(3),.0(1)(3),(1)]nonadeca-1(12),2(9),10,13(17)-tetraen-11-yl}oxy)oxane-2-carboxylic acid 161947.0236 163607.628 181540.5563 162301.3082 161409.1939 168647.7332 233252.8634 238292.7751 232126.8511 252792.6086 240201.4027 247509.9043 183388.5101 75947.25218 223910.8022 234850.0099 65300.89034 216941.0041 111813.9538 136660.6875 115173.7798 28965.15884 121495.6064 121520.4386
3,4,5-trihydroxy-6-({17-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-15-yl}oxy)oxane-2-carboxylic acid 90781.94479 86011.76745 89898.89545 80195.83131 90094.95394 85428.64632 26550.2483 28153.92143 23013.9615 24548.33627 24930.78907 22042.68422 645.2590662 836.903784 1635.9127 1236.231061 53.71535205 86.5062302 134.2882566 421.9299408 49.15122635 74.14808629 214.5051296 46.34264845
3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1,9,11,14,16,18-hexaen-11-yl}oxy)oxane-2-carboxylic acid 12398.92256 23600.91257 21199.00008 2259.708829 22970.88926 14035.69147 54030.12161 48031.97984 56760.40178 45381.15064 52443.84229 47178.73998 183786.5639 144401.8897 67461.37361 80466.16765 184537.5025 80759.16753 27810.27679 24629.18436 23619.32637 25814.18595 24476.00273 26684.09214
3,4,5-trihydroxy-6-({15-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)oxane-2-carboxylic acid 7397.13443 4766.496774 5818.016748 5875.830696 4805.865588 3062.435728 26254.81813 23189.80821 30759.35096 30734.83748 31077.7783 32831.26515 751.494371 895.850715 935.340529 396.8035569 1399.367446 205.3821596 487.2635134 877.3185466 573.0174582 397.5206358 1639.955596 516.5353407
3,4,5-trihydroxy-6-({15-hydroxy-11,17,18-trimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-16-yl}oxy)oxane-2-carboxylic acid 56533.57319 42922.44008 51503.2705 46936.0017 49058.73646 52688.02369 31575.84905 33698.77623 32870.67508 31789.5633 31457.89166 31992.07298 3547.184659 2080.927818 2109.901733 890.4781085 1758.768491 1946.337323 609.0496969 322.8168694 320.0037617 240.3748322 448.9651655 158.3054695
3,4,5-trihydroxy-6-({14-hydroxy-13-methoxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl}oxy)oxane-2-carboxylic acid 41897.02975 96357.14484 38036.27721 45188.91747 37420.42463 43219.37736 36130.98577 34364.24648 34248.69714 35492.47646 43594.18237 43852.94752 81071.64027 91558.38313 77956.50937 91765.66709 87942.11696 90385.88952 11547.85916 8244.194591 11192.29658 9448.106922 10982.97833 12159.53022
3,4,5-trihydroxy-6-({11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-15-yl}oxy)oxane-2-carboxylic acid 7790.735856 7099.813335 5734.53752 4086.213985 6145.831282 5488.776108 2745.344701 1423.750927 2835.910135 1226.486293 1234.589992 790.0903539 53.14607478 13.12940179 51.33019567 126.9410921 265.5353665 196.7560982 22.79028572 10.00995869 70.39605821 270.2434124 74.42365763 223.388213
3,4,5-trihydroxy-6-(4-{5,6,7-trihydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenoxy)oxane-2-carboxylic acid 38263.24698 31391.48621 7148.578189 37814.79493 35241.57087 53553.95284 46175.75603 44293.92226 88774.03453 29537.62965 60054.76052 28814.30143 1577577.621 1527658.126 1529765.538 1565667.439 1487856.497 1522838.327 1218187.593 1157415.667 1242299.122 1253778.769 1177669.024 1267644.08
3,4,5-trihydroxy-6-(3-{3,5,6,7-tetrahydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid 36269.21476 33627.91739 33810.67339 35424.80255 31897.15222 32618.47223 31789.36577 30760.67957 27227.04514 30921.13528 34255.07154 31816.9623 100028.1258 100591.329 94130.96961 90954.65004 92821.13169 86928.8193 30826.23498 64378.45152 69369.34993 35667.878 63782.12096 63363.53976
3,4,5-trihydroxy-6-(2-hydroxy-5-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid 7570.119211 7753.7236 6382.387645 1057.510816 3847.749241 5904.864399 1642.657241 1704.918641 2087.521172 4841.320462 5045.518267 1201.626664 8437.061936 7424.416539 7829.232177 6598.758251 6475.763338 9848.190144 3587.904168 2250.689605 1482.133473 5128.315341 2911.446283 2052.957742
3,4,5-trihydroxy-6-(2,4,6-trihydroxyphenoxy)oxane-2-carboxylic acid 53134.20609 55908.21348 52934.0348 50764.31029 55658.73173 51571.71996 67833.33248 63535.59055 67406.38013 64951.91355 66925.48212 67527.48547 56.82942938 148.1962516 45.80637495 2084.11703 66.16446135 139.6244183 61.76920065 85.71342619 135.2146794 1086.879606 310.2339749 93.08267782
3,4,5-Trihydroxy-6-[5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-7-yl]oxyoxane-2-carboxylic acid 2442.313457 345.1685304 1092.2199 2090.170661 2749.140667 745.3996698 422.3888653 1199.098562 1138.566399 1237.700878 1066.567376 98.26724625 71953.5322 118592.0443 49884.02254 63637.17595 79320.13935 66661.81805 37153.43528 31707.71004 34690.97288 40725.57596 29285.38921 36003.14142
3,4,5-Trihydroxy-6-[4-oxo-1-(5,6,7-trimethoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxyoxane-2-carboxylic acid 218950.9861 221869.1498 218690.1069 228130.92 214371.2722 208795.7185 252264.6961 253374.2207 260427.3027 260793.4667 258014.5864 254245.6322 226072.5451 217164.7355 221555.1193 219883.9314 213634.2517 217227.3553 138577.5499 127288.2903 136183.4935 101287.3072 132692.6526 135568.2408
3,4,5-Trihydroxy-6-[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)chromen-8-yl]oxyoxane-2-carboxylic acid 53563.25894 54376.23853 56067.95359 56236.26231 53668.4214 54710.65164 91314.42231 88711.55992 90413.87957 91333.7234 88215.4905 88335.01245 429977.4293 404723.6169 422121.617 397509.8155 406935.2341 401620.5978 301140.9309 321514.6371 304407.2423 331687.0153 327586.8304 332156.3374
3,4,5-Trihydroxy-6-[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)chromen-7-yl]oxyoxane-2-carboxylic acid 235261.7675 234184.419 260141.0977 272876.505 225623.8832 239574.5359 133862.3177 152293.6166 154608.2718 147304.1498 194436.7981 137606.4276 65857.2856 57355.67182 48655.0008 48942.88338 43997.68444 56591.81818 21975.87343 19676.29451 22652.23685 23537.16402 21603.58167 23250.48123
3,4,5-Trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid 45285.88755 49921.00843 53154.56995 55629.60183 52154.76475 59501.66867 63986.84622 61986.48655 60097.84743 55997.63869 64204.48991 57883.02104 24108.70654 23171.2754 22268.35291 27118.81118 21673.31823 20628.00734 10235.98565 9117.524082 9818.933167 10409.87893 9731.079623 9853.322688
3,4,5-Trihydroxy-6-[1-methoxy-1,3-dioxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propan-2-yl]oxane-2-carboxylic acid 9102.511585 8693.699337 11319.8778 10453.27538 9827.283446 9931.171832 6237.237317 7211.175689 8257.115913 5623.722891 6099.072598 7261.885312 6741.476504 6395.594572 4915.202588 6665.192871 4027.853722 1046.29012 1203.661049 953.7301511 2454.791701 3434.211449 3000.781836 3490.091069
3,4,5-Trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one 216068.4842 198733.9502 101223.035 3028.636776 411.245487 203468.378 28109.40863 6203.710587 21855.02433 2351.331675 24039.0323 3691.626235 20087.92984 8015.643785 12205.49323 13176.24983 8594.478608 4181.57953 41388.13133 66091.42282 51602.90583 63380.31183 36789.94584 64591.03815
3(S)-Hydroxy-4(R),8-dimethyl-nonanoyl-CoA 2571.79417 1660.0607 2546.948269 1154.207205 1394.870246 3904.545604 2850.21776 2388.999217 1532.187871 3043.264543 1812.780588 3300.780389 2818.61147 2284.064852 2797.32011 3542.14546 3420.520089 1716.994897 30592.0679 25361.45937 26887.18115 25259.53435 23894.65485 29477.72811
3'-Keto-3'-deoxy-AMP 48143.18076 39706.80099 62025.4831 59090.04039 55483.73152 36961.03894 22421.30351 22532.15015 19516.93663 39845.43213 22110.32787 47764.20372 10532.98613 8450.256234 9814.331011 9793.493197 10637.26591 9359.710473 792.4333664 782.2954525 824.3346568 743.2171287 337.0967617 852.4257471
3'-(3-Acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2',4',6'-trihydroxy-5'-(3-methyl-2-butenyl)butyrophenone 39594.74551 38746.98046 37693.4162 39444.23663 38033.58702 39897.60375 44503.97481 46400.24702 43518.27739 43108.57727 46656.7959 44804.73979 1894.912285 9153.231845 1353.985658 1889.58439 1332.074287 1968.732135 1126.446596 452.0382943 1096.160584 73.66544899 811.4592251 685.8221448
3',4',7-Trihydroxyisoflavone 9498.126706 706.2001525 5302.913579 13130.03056 4000.813735 10676.04187 14945.71968 13060.1522 15022.14407 3439.375493 15394.72345 14331.99501 46264.34962 43838.10793 276000.6065 73278.38597 19423.59128 34772.46954 97059.78289 100906.4012 86713.79591 126120.2207 163094.8809 63597.87531
2alpha-(beta-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzooxazine-3(4H)-one 1270.13533 1756.396869 1419.81283 2158.8952 1353.02058 841.4267225 549.1833911 397.9080628 811.948667 491.8910775 1348.109773 1237.317933 261.2083881 181.1458929 105.1190656 344.3298826 235.7646568 289.7645838 70.43950811 177.0377304 100.6923314 50.96677986 144.0766005 353.3155693
2-{[hydroxy({3,4,8,9,10-pentahydroxy-6-oxo-7-[5,6,12,13,14-pentahydroxy-4-(hydroxymethyl)-9-oxo-3,8-dioxatricyclo[8.4.0.0(2),]tetradeca-1(14),10,12-trien-11-yl]-6H-benzo[c]chromen-1-yl})methylidene]amino}acetic acid 52892.59771 56241.71825 58116.54635 60449.44526 63262.32675 61585.76334 27094.40989 29262.00109 27778.04 25731.41429 26345.80346 28685.87835 57.33615322 66.0537438 17.9827541 4498.95638 6.335744558 28.14713288 29.71062679 18.76460927 1309.886782 12.50974399 35.1837153 50.82091056
2-{2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-methoxyphenyl}-3-hydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate 38146.67875 47049.47995 13541.45333 23745.07324 23126.83989 50037.30438 64601.96303 93825.8032 58238.14323 57664.35246 69599.71652 65276.17315 2800.223379 2483.334819 3856.559368 2421.995891 2330.909738 1343.485277 1224.886054 1395.055142 861.4216924 771.8880514 191.8169791 586.1303826
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 301.9617433 329.3919353 324.9195853 345.5247541 242.3564318 379.1177003 48.25870291 38.76403651 31.25036192 28.74399622 30.4039621 13.52769612 3.937758345 3.054526872 0.699225634 2.024067322 0.588820697 2.318475669 6.112643801 0.168853086 0.311729081 10.11991781 18.71801909 30.25946766
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid 2968.668539 2560.262954 2108.997462 188.2016123 3302.291552 749.1813909 1655.987435 1008.625406 572.0115726 1356.569563 573.2715032 703.9679702 49438.84351 53805.86424 52217.02536 53465.22625 49796.20431 50908.62216 23850.50168 23456.24133 23113.10257 25517.24908 27908.51022 23848.60425
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]-3-methoxyphenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 7468.229893 7941.145746 8291.264644 8907.565503 7249.64707 7766.425521 5744.122022 5811.839036 4440.682593 5126.112975 6124.151489 5465.636304 225.6314729 215.8399158 37.30157995 167.8274902 220.2147805 111.9474586 117.1591309 97.44635866 84.6612099 127.5338651 251.5074922 34.35829809
2-phenyl-N-(1-phenylethyl)quinazolin-4-amine 2392.494808 2740.59005 3023.125198 2855.136485 2657.579252 2908.219058 2312.697379 1689.290597 2080.453853 2676.093064 128.5819638 2596.045542 38027.07499 39211.21893 37616.29465 35534.16345 36385.38353 38679.75967 18241.13378 18309.46809 18703.28567 19494.44693 17919.6483 19460.38444
2-naphthoayl-coenzyme A 258.3981126 664.6418092 264.4444091 717.2132262 137.2251485 50.96438517 416.4899414 199.8399107 250.0767148 89.27381691 393.2215355 362.8616142 15223.83779 12870.43495 14311.06869 10232.90517 10532.13628 11047.59903 10005.2775 8699.026732 10009.28811 10519.70162 8182.600005 7797.260527
2-hydroxybenzoyl-AMP(1-) 2467.546179 2414.164372 1719.754194 1552.003827 1410.701845 1617.255683 4135.582207 1404.834363 1397.408938 2122.818607 1022.251914 1324.244193 4958.803094 6280.158711 3710.603661 7328.797809 8336.611815 5424.776641 10235.35326 9854.777529 11337.75203 12430.25049 12045.30814 10989.66367
2-dehydropantoate 8258.468208 7659.070465 8088.71448 7411.894097 8721.897155 7691.524598 9011.957028 7039.483783 7316.300432 8537.41122 6364.837765 9782.37914 22061.4649 20309.58715 14233.06565 19260.11528 18431.27947 19523.00485 20103.88948 18580.36776 22198.68384 18268.56278 18024.44931 20562.64345
2-azaniumyl-5-[[1-[[1-carboxylato-4-[[1-(2-carboxylatoethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate 10670.57421 8768.89779 9495.518311 7554.179723 9961.035585 8147.901863 21670.97277 23472.12799 24552.89644 22607.1128 23363.75312 23839.2969 113.8101166 582.1620034 536.8883943 299.0730284 2539.659889 526.1049404 819.4702107 646.9858046 113.2014917 104.3792591 622.0609365 1241.285407
2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate 434.7310135 505.8467959 451.0931671 459.2203317 122.642579 606.7441632 645.9283337 809.4174847 475.6763708 437.7692632 750.3725656 480.0847245 4189.300203 4207.806311 3972.78129 6058.849036 4551.928226 4159.128651 8050.207981 7404.581576 8131.152585 7642.307315 7179.23702 7881.717456
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 2506.861256 2492.362437 2640.502948 2516.43569 2462.977414 2441.957621 592.0654697 565.8123478 144.4930264 575.8807703 823.5477134 486.3957862 6541.352582 7376.583937 5990.558127 7164.4815 6890.226307 7232.95921 8651.253159 8363.637094 9017.754107 8720.334945 8921.692132 9464.887384
2-amino-6-(ethylamino)-1H-1,3,5-triazin-4-one 6545.695453 6940.705375 9212.833876 7243.644202 7070.192563 8588.545472 4207.476118 1379.671515 1847.892631 1888.295898 2001.952497 552.2488881 41067.08198 38698.31472 37733.37533 39478.56338 40424.22219 40386.09505 60807.99705 54778.04152 61454.1359 59586.5556 54643.28916 59564.59828
2-amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one 5590.113662 5648.029406 4534.548196 3965.90858 4483.230283 2555.868094 3164.692097 3687.228668 3490.584211 4200.435838 2698.045659 2045.334228 446.7280167 186.9283245 54.72423961 443.2170475 28.73046155 274.1441705 938.1611722 1114.375659 195.9342164 980.7541521 1020.643142 108.4407634
2-amino-4-({2-[(2-carboxy-2-hydroxy-1-phenylethyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 1234857.842 1150474.66 1137917.834 1154598.131 1118508.189 1135202.142 1136187.677 1121464.656 974315.8293 1110743.054 1099640.855 1136032.426 9689.724732 3356.71577 3008.738858 2830.969197 1346.841828 2196.962685 2961.573796 3605.074341 2247.011272 2417.140731 1893.604106 2189.73799
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5,9-dihydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 284.7773114 235.6033778 227.9726419 306.1986952 134.2421311 214.1524174 248.6784646 254.5180063 317.820477 146.9869995 151.9200666 449.4382028 10611.79139 11342.42406 9049.166443 12543.47079 12389.66813 12057.44793 1292.829858 2033.297194 1615.189241 2773.756669 1080.353836 1606.1903
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 503.3375906 1092.949409 522.6511173 243.6257119 735.8885529 853.3078856 51.6150808 234.9191129 417.9767076 117.150907 155.5874049 176.3661594 84.47591656 83.06979989 6.761227369 79.85235404 145.1245996 137.047148 69.18628906 13.78760087 111.2914485 105.4731772 5.52387857 4.595896767
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,3-dihydroxypropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 1340.833803 1975.921171 2998.360078 3003.8738 2374.560929 2397.458395 1062.659425 704.4687488 2516.905569 3011.365926 1984.483173 1608.250608 33028.94445 15911.80914 17027.18085 12761.34636 27756.84993 4849.780229 7788.711477 8122.842796 7092.201603 11024.48563 5462.259025 8353.525953
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(3,5-dihydroxyphenyl)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 5167.468449 4152.633025 5220.832638 4193.98763 4891.121812 5110.605054 8.111264956 5.469398299 31.55412411 8.282587416 3.727181767 522.4977522 10.95305628 65.02048686 97.35618044 9.867756962 124.12324 52.70419957 17.57922214 3.598650165 26.36070934 12.16685295 3.684350303 17.1197756
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 142.3212252 27.98433055 107.898822 92.03079574 31.59051405 139.3182518 156.0917964 51.35242683 202.4290329 46.15941403 237.8037213 101.680654 4568.394444 3726.368153 4355.344363 4344.758199 2847.166092 4505.158004 3165.52414 1524.264165 3163.506335 1056.186533 2133.86043 2962.19185
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 11638.32512 13313.73175 11579.7278 12116.23844 16368.25169 12010.38879 8363.954796 15128.64816 9543.595537 8383.476187 9128.811283 8458.881559 692.8139346 300.8158463 335.1802434 472.4083181 692.2180462 518.5471234 2693.392874 3240.769996 3022.816993 2991.956439 2763.851537 2630.739598
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 4562.086329 5154.37708 5368.973666 4320.545835 4704.727363 4721.578319 224.2638562 550.3113371 296.8323056 120.3651552 516.8698967 811.8059224
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}-2-hydroxy-1-(4-hydroxyphenyl)ethyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 539.4239366 538.5554267 962.9868723 265.5603842 734.2380895 637.0204808 677.8700098 689.4894845 704.7935806 630.2301167 526.8358403 596.8215312 5525.954337 5550.30406 5835.928191 6732.529804 5706.086007 8651.321359 15367.61501 12682.28984 12302.27217 14195.69826 9232.738025 12255.40663
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 507.6865696 446.2296756 524.2094064 584.9244327 469.9633327 685.1535956 1547.710595 1670.580447 1338.744015 1233.217098 1369.812986 1461.994873 20.7116301 47.80316204 5.177822163 5.917637947 43.57547343 18.87000619 4.438241663 55.92907635 44.85140094 60.61591235 4.438247465 40.80262416
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 1788.877644 1846.545551 1364.618817 1253.445925 1004.426537 1044.658899 157.0237196 176.1780924 53.78412296 277.3015568 338.3150153 243.3676905 168.9587923 152.2967572 47.61885216 139.8388252 94.75058744 131.5450447 21.57924391 32.3596903 102.9151987 35.50254907 37.21855567 101.1807648
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)-2-hydroxyethyl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid 10705.08272 14713.37016 12952.05695 12847.15692 12525.51804 13060.07727 9423.270248 23316.89964 26871.17193 19307.62305 23065.3921 21003.84686 6977.308059 9851.546489 9802.561754 9980.009451 15786.34562 15904.32578 2778.823948 1591.660074 642.8001449 1169.948382 1495.003089 955.6203514
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2,3,4,6-tetrahydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid 380.4875754 907.3473563 1123.892625 1107.009136 1099.442379 1154.540848 2376.418951 2316.516354 2155.331208 2001.256477 2199.457704 2158.028372 163.9023457 308.9632022 299.38545 331.480858 133.1886618 373.8988983 413.5246273 104.7986708 199.9261921 321.059127 162.4626585 167.4149199
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({1-hydroxy-3-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-3-methylbutan-2-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid 8212.256903 10016.64808 9362.203821 5191.370647 8166.405022 7607.534749 16684.05548 13949.58569 14366.99982 13850.35707 15301.38546 12357.56623 1286.265869 292.8159106 268.5414457 567.5007291 346.7368647 1651.961054 653.2243069 678.2148556 937.2165709 1260.800862 1085.759578 2176.884363
2-amino-3-hydroxy-4-methylbenzoyl-AMP(1-) 15880.97764 16417.77627 14640.53601 17439.78372 890.5241367 15519.62904 13333.80789 16602.5784 18430.32799 16159.50053 15460.57239 13925.68189 220711.5158 218938.0889 208365.4358 210013.3537 222728.8437 203862.2126 110866.3277 114279.2847 120988.3771 117060.979 115208.2545 131146.7461
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose 5495.191732 6583.149902 8851.676819 9088.305363 8336.388104 6050.57925 13681.39858 11754.58748 11382.0876 13216.97112 12097.43148 13904.25575 71.75893272 197.8085497 46.74813538 461.4429233 214.8128836 828.9037187 485.0424347 53.72540015 417.0694049 281.1858124 112.3345013 153.8497634
2-[[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]acetic acid 899.6946923 467.1158494 948.7852081 202.1093343 2432.805187 531.0495611 728.5918441 544.0122095 835.826731 29.39249626 893.579498 668.338611 32040.05913 31785.00838 29642.53196 30529.96672 29819.37736 31777.35489 66293.72705 46621.69562 68314.78954 70062.57432 65749.46348 68908.66052
2-[5-[(5-tert-butyloxazol-2-yl)methylsulfanyl]thiazol-2-yl]-N-[4-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]methyl]phenyl]acetamide 2749.998782 1340.130956 1213.361196 1522.526924 1837.436258 1781.850101 2406.208879 101.8161653 1747.939051 1047.101637 2223.451483 1449.461932 4347.372297 7474.124918 4564.379391 4049.617059 4479.073783 4563.923795 3206.910657 3319.488569 2082.798136 4069.728855 3019.742401 2832.280284
2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]acetic acid 323.4888891 158.9424483 86.0899606 19.40749292 99.39437933 115.245468 356.8849207 132143.0299 128925.8008 217.6512479 137573.2609 254.2306619 710.7817696 726.7790261 1546.698225 1023.323225 1040.845469 1199.879224 6856.421294 6569.830679 6836.886511 7356.621744 7060.892285 6634.995623
2-[4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8,10-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one 8883.002036 8814.589979 8072.778311 9660.025942 7989.825984 7619.180459 2739.23669 3756.28443 1798.418582 528.8897869 4432.81365 1262.068967 674.1729761 817.507394 720.1371171 982.7669946 60.31591193 864.2178262 286.1538267 349.2499587 61.08731838 379.8434004 292.3026652 194.0006554
2-[3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 3175.003534 6655.561868 6873.161155 7198.826924 8753.243823 6464.545654 1836.718915 3632.09102 4428.092336 5411.009777 3394.861431 4803.583802
2-[2-[2-[Bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+) 29623.26016 176459.9824 35991.18062 22632.95742 25979.05342 37314.56174 119060.077 76505.98302 103441.6959 65132.61702 136316.3515 106214.9153 4045.364077 1177.449772 2547.271218 2500.470766 4057.08335 3603.468808 3706.592859 3596.014055 3716.278797 3489.053068 4249.671049 3307.246729
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 478.0141394 2201.308701 1926.766241 690.9306975 1323.025529 1258.478807 1589.000389 500.7717662 556.8008157 1639.22076 173.55372 351.2933865 8123.71167 16556.63171 8489.470132 12639.50421 9705.656465 19555.82256 40983.02556 46216.76115 62062.55507 42886.62123 42244.81722 47231.64858
2-[2-[(2-Azaniumyl-2-carboxylatoethyl)amino]-2-oxoethyl]-4-[2-[(4-carboxylato-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate 16.67168548 9.224503965 6.306989785 29.75733358 5.630629525 17.51310974 4.592566947 1.643575829 5.669945611 3.389380006 12.33073774 4.347628438 0.94368001 9.956679034 6.21031375 1.13241346 0.792013038 0.990868134 13.32777177 0.754939722 7.644505113 10.18878469 0.377471929 1.592460636
2-[({2-[7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-4,22,27-trioxo-3,23,26-trioxahexacyclo[13.10.3.1(2),.0,(1).0(1)(1),(2).0(1),(2)(1)]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaen-29-yl]-3,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid 410.8718213 152.3140502 645.3839811 1051.718633 791.279589 996.359658 931.8840393 77.5421823 200.6316614 820.2042414 678.4863434 600.0641804 11924.88018 11284.61885 11622.12743 11986.94002 10935.32811 12141.45586 10654.32265 8769.335863 2652.580581 11600.76089 3760.273877 10271.66275
2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione 122.1130484 367.8763488 47.3912708 554.33591 443.5276464 104.4768908 298.5125573 480.4269399 67.82606039 270.8671327 21.31324556 127.25288 2192.813991 3349.197106 4274.891827 4758.892136 3657.666812 4995.194292 8635.581747 11482.59934 6030.219785 7445.577988 5828.304984 6690.76137
2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid 7760.223785 8365.266071 9342.863789 8910.334877 9169.526692 8397.447116 17703.27647 18074.15915 16577.71452 17153.83413 15927.92504 18193.49087 33.50092703 1168.599937 70.08386011 1239.106602 995.6605057 962.3807278 1733.691524 1269.515775 1021.75336 1434.445193 1563.098976 1830.607107
2-[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-5,7-dihydroxy-4H-1-benzopyran-4-one 96027.97027 96089.80932 92522.96505 94504.45409 89139.7787 92726.20919 102323.1508 103775.625 101249.0448 102837.6523 108040.1376 102608.6053 107244.8332 127426.1662 123709.7327 139316.5435 131354.6159 132437.061 48829.11041 38081.08348 37042.1814 38081.58094 37805.58488 38794.27555
2-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 91565.49184 87124.4906 86361.64613 95129.18919 89504.62725 85388.6468 94940.8471 99945.03939 97819.56197 99077.07031 82778.48047 81006.30377 2580.618956 4032.49541 3294.930262 26841.36146 30950.39991 7789.797441 4679.442653 4042.27087 4969.993554 2201.634339 1845.471522 14272.49419
2-Trifluoromethyl-2'-methoxychalcone 826.9711488 1205.848953 2316.928804 148.5725153 776.5639345 1642.946753 1450.478548 1131.725446 370.8119078 909.5592491 455.4446531 1113.394631 24196.52116 26099.76703 27432.78215 28667.28602 27829.41958 29163.34397 14739.24582 13685.64658 16614.88665 15332.39049 14377.01607 12295.16597
2-Propenamide, 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]- 27044.57459 18700.65182 9818.386577 26760.591 27295.2226 23653.28695 26546.35491 25766.04455 25588.68905 24268.7098 24592.13243 16205.00009 20422.00283 22244.11463 20304.77663 26871.32412 21565.78326 22038.23647 11818.58918 11492.86268 8386.795336 12529.10042 12164.32998 13714.54937
2-Oxoglutaroyl-CoA 37.32313421 41.42309868 85.69896317 92.64676394 162.4328862 102.3458388 95.3471646 94.70993285 339.5677726 75.6949034 128.0073639 99.92826236 107.6807595 59.64163438 143.9108248 157.7334961 85.53076599 163.6165963 897.4895373 407.9966728 484.6105035 1210.302789 454.5031122 865.6542229
2-Oxoglutaramate 54979.18695 52115.10123 49979.11031 54119.00084 48700.1091 49821.88782 25465.99346 24993.971 25527.01647 28799.60249 27745.56146 26838.01121 7350.724386 10227.68638 8970.9742 9262.158856 8475.063548 1100.71312 10894.81876 1035.262345 1617.270822 11856.14226 9522.577359 1281.897268
2-Oxobrimonidine 695.6955818 183.7603653 286.1494291 202.1770573 41.30179555 252.4416987 2688.787245 2834.976231 2039.190446 2628.368184 2998.585981 3059.18779 44446.53213 42151.35126 35042.11935 38355.94579 34324.25634 32213.56417 2084.218004 2164.324412 2047.035452 1241.276977 2056.707115 2293.605312
2-O-alpha-mannosyl-D-glycerate 56227.62773 90507.66229 86633.43743 81989.43761 80778.64366 78737.53895 57410.35164 78543.42389 51450.83245 52755.66392 49377.38498 50690.57814 2404.888416 45338.07502 42985.89496 56523.07038 58638.5001 2087.398401 6263.728819 7406.503593 67320.59619 47656.24541 78187.58045 7494.174215
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 53388.18978 54706.96425 54751.11876 60366.29815 51135.75941 53181.3523 30764.38925 32077.41634 29473.11729 31365.88898 35546.197 30414.38376 7673.487898 7496.668258 1887.576845 9610.102621 1735.632055 2385.041329 2554.149747 567.6010488 903.9869504 1028.639794 2766.218176 2728.508867
2-O-(alpha-D-glucopyranosyl)-D-glyceric acid 2487.473459 5056.921243 32655.62664 14078.97793 15246.7424 34100.83324 13560.72793 9848.035379 11751.22878 13670.29689 7997.090062 9784.831625 26121.84949 27371.02361 30036.59482 27501.27748 17619.24762 16627.23028 38129.18535 44757.70133 40101.37481 43434.95074 44292.84078 45943.07229
2-O,3-O-Digalloyl-4-O-(3,4-dihydroxy-tras-cinnamoyl)-L-threonic acid 56520.81219 55287.10776 60641.64522 67322.06449 62676.3895 52896.9354 44966.13703 36484.33118 45435.65651 41656.10458 44642.20623 46291.28448 7705.286041 3861.775481 5777.730481 3030.311223 6514.473794 5307.01247 5959.634662 4730.812753 3754.310725 4785.91236 4552.527209 5279.903031
2-Nitrofluorene 40915.55353 36039.48779 36337.13187 39175.06566 37569.60496 35668.91014 48671.64614 49556.18166 52416.87159 49340.95788 48311.10345 46681.2882 1793.553313 1655.85466 519.9990715 868.9065382 832.0795391 1109.622841 1467.036738 1607.047372 2058.634848 516.764089 173.5138527 452.1329948
2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide 54807.61241 53987.15736 51749.06494 57894.96957 22023.16183 53547.86982 32736.26461 30441.56642 30001.04653 30995.30374 29795.31017 45540.49963 7814.00554 12539.51195 1264.726081 1372.084709 14644.4858 12572.04393 512.7216657 756.5138842 2215.700257 2023.58498 2718.256963 2243.267541
2-Methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 240.649799 26.7388561 63.44403223 93.46433151 56.27310751 20.54022633 20.05417696 9.723173092 84.59130041 65.75297372 69.88565864 7.535443375 16.77246394 123.2314552 72.43790805 160.85799 29.16952196 10.69553153 2482.978698 1903.703617 910.5096376 1289.482595 1324.425731 2338.784885
2-Hydroxyeriodictyol 3736.654286 3570.301895 3650.711261 2082.386268 3802.79004 2845.575398 506.3988378 1142.912523 551.2033766 981.957253 980.18473 829.0454064 206.2687633 199.6162286 54.55985061 95.76698949 184.1098277 241.4903004 175.291318 70.67479537 39.83468759 23.82753509 103.4710819 42.47392733
2-Hydroxycyclohexane-1-carbonyl-CoA 312683.9814 315707.5939 323558.2482 336514.7304 299855.5784 317412.8746 354761.5845 374127.8862 343089.8212 340620.223 385938.9392 338431.0626 23989.95569 12989.45931 14595.62492 17186.97077 32789.92781 19378.98844 4087.323639 16167.5616 19252.32327 13128.62567 2979.834864 15391.55158
2-Hydroxychromene-2-carboxylate 6669.879426 7106.779616 5410.978824 5983.82892 5879.211135 5959.633452 3523.561365 3535.647848 4129.13484 3562.066553 3679.774715 4130.863302 473.7929574 377.2616615 212.0297811 237.2430096 134.4487952 427.9786828 481.5504416 334.2470741 263.2991887 232.4288767 127.7799311 179.8861816
2-Hydroxy-imipramine glucuronide 735.5454114 527.3987561 535.0732183 334.774748 317.370873 525.6937859 1621.131999 1378.888644 2779.583465 1769.988547 1251.409024 2063.997959 4833.403943 5414.618579 3597.698702 5052.445906 4327.417808 4162.818234 7083.410948 7414.229203 5624.869386 6047.005582 4656.02198 6782.82124
2-Hydroxy-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid 17597528.85 3467302.576 9474051.326 4955761.768 9054955.235 2639630.77 9245655.915 8838258.883 34400386.41 33704473.71 8290952.152 6623559.107 479133.5584 1816621.341 141944.971 500281.4312 593019.8977 1077040.355 1261669.012 503926.427 1257525.056 766978.5269 461287.5294 582334.9437
2-Hydroxy-2H-benzo[h]chromene-2-carboxylate 38581.60706 38383.7007 38189.35444 39823.55021 37908.32134 37565.41745 14889.53257 13401.29618 14128.87372 15835.0588 14668.11304 10478.59588 1353.445774 505.6007154 852.2151284 241.2015526 1245.578674 708.6956569 1148.096095 253.4867562 1067.663446 509.6009167 286.0086893 1141.004359
2-Hydroxy-1,4-naphthoquinone 26031.97116 25332.21497 25468.22278 24609.33702 24510.81416 25305.06609 29369.65364 40132.41311 44542.37122 24471.04781 27634.87444 23046.95707 2706.056118 2195.631058 2367.351289 1625.249084 1377.986065 2319.146269 3221.81903 3389.989941 3616.597423 3039.108587 3405.210656 3456.961274
2-Feruloyl-1,2'-disinapoylgentiobiose 148773.5799 147272.9681 150927.9751 151990.4161 145721.383 138191.2941 71236.93131 80445.83317 72044.49692 76238.74512 63782.99049 65649.03796 120.9113472 986.5962157 220.6094949 757.0715343 3652.092355 3533.387675 3006.630007 3050.903854 2510.16665 2769.774454 1798.47335 556.6145189
2-Ethylhexyl diphenyl phosphate 179.7980672 257.4698478 796.6952382 458.3648023 477.5350966 1139.534781 148.6329416 382.7890941 38.20503981 725.7440822 222.9280953 75.85046583 8603.535371 8501.67173 9521.145738 13260.21992 12836.39083 14134.21732 26971.39108 15980.7794 17153.63059 18602.54032 17761.90655 18605.79261
2-Dodecylbenzenesulfonic acid 271332.0551 184218.6934 208078.697 192748.4353 175478.2201 242759.2717 266641.3725 162413.2793 229576.2429 186107.1163 191893.7377 185657.4261 266472.8713 286997.9831 297092.3001 187540.7167 185302.4534 242750.5076 304958.67 210498.9717 322975.5008 277441.1759 335284.9128 296028.3252
2-Deoxystreptamine 4-phosphate 47681.07307 50147.2127 49029.39165 48265.85222 45808.28365 46199.28446 26516.63915 24994.85955 28335.21105 27460.12166 26906.8504 27460.09925 16483.53328 17638.32896 17457.78387 17392.19487 18405.80578 17892.22128 3240.171135 2526.165134 3863.713185 1522.860025 4291.010324 3313.362271
2-Deoxyribose 5-triphosphate 6700.362806 8206.631587 3496.252712 5395.549738 5887.797887 5953.245801 11139.9246 8037.015544 14805.25249 11821.87686 9735.208266 11954.18108 17936.23209 15295.11017 16459.83802 8019.554108 17185.73569 13925.62068 15283.91858 14599.57686 16639.43979 17202.83348 17173.26832 14578.43334
2-Deoxy-D-ribono-3,5-bis(tripolyphosphate)-1,4-lactone 1150.410447 1104.249993 1020.563979 894.8285429 564.1909529 231.6098486 2585.491587 1513.741357 1633.494524 1949.277621 1910.632586 2478.159579 44895.04933 40903.95871 40706.741 34800.82162 40051.48922 39027.79316 36886.61046 37886.33414 34685.02249 37916.22234 36396.40518 39245.20502
2-Chloro-5-nitro-N-phenylbenzamide 26145.94115 24466.015 23887.19362 23686.70607 24262.64183 24868.82321 36448.53487 34325.50362 37770.97462 38062.77816 39856.54578 38222.7124 42.73092655 1234.079536 1242.936803 1814.176545 1330.983388 32.32339459 372.9925411 53.80653194 1084.059149 554.4847213 27.45005991 82.54920907
2-Chloro-5-nitro-N-4-pyridinylbenzamide 7588.245396 7344.779596 7862.946223 7810.266914 8135.972115 7496.358754 5667.972978 6107.935009 5504.605202 5713.522767 6461.006113 6236.056059 42232.16464 39372.67708 43993.07757 46497.35798 40851.1006 42561.29442 77778.57138 67744.58462 72748.37154 73589.928 68870.72053 75454.82518
2-Chloro-1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione 36384.45288 27882.49001 40933.59223 41215.83152 22144.45661 38512.2267 41892.18226 24881.17128 23212.85696 30791.24238 26163.46086 25494.85709 18895.76603 15764.06481 15168.06019 16598.87783 20092.6547 14184.65776 5959.954602 8041.950295 6019.408996 6453.843077 6607.812652 6995.316182
2-Caffeoylisocitrate 481.1680842 527.5568206 672.8582361 713.6446112 792.4600589 516.087817 1241.828829 408.3277942 253.2935742 933.7411871 189.3215612 80.08578073 30104.49902 28763.41234 30990.42526 31965.25671 30282.58617 30804.71614 74042.81706 66635.20968 76287.02086 75930.13532 66189.07474 69018.63653
2-C-((Galloyloxy)methyl)-D-ribose 5-gallate 58620864.71 58529035.95 58220203.83 62832120.55 57757330.05 59141361.52 54982707.35 55502208.85 52509897.98 57652473.96 60919068.48 58687979.7 732837.3441 536956.286 521549.1714 520055.7881 440829.1138 459756.7334 169972.8936 153660.8094 189779.7768 173012.8635 158855.4898 178740.7015
2-Benzylmalate 9947.417873 12412.46849 18091.41918 20512.26653 7688.104403 19030.83605 13800.68108 5644.796582 14407.8937 4271.207373 6721.639464 14040.93499 130043.393 128515.3468 135290.1539 136914.4623 134059.3427 129635.9152 51432.03718 46936.50332 52131.29305 48630.70625 47062.43408 48422.95608
2-Benzyl-4-chlorophenol 34912.88438 35548.35641 38360.76485 34699.6055 33623.45053 32665.74173 30419.6192 35655.27917 39621.89584 32697.73999 38105.45395 32268.78392 63047.83317 61306.27317 62492.48442 62061.34414 62426.24275 63268.99185 31137.91431 34887.54571 31744.9179 34175.08723 32794.5976 33697.33543
2-Azaniumyl-5-[[3-[[2-[(4-azaniumyl-4-carboxylatobutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate 431241.1973 615470.0749 439782.7462 679137.9962 429852.7408 419740.6819 238373.3895 214840.0206 201083.5607 210781.6908 277600.6568 285368.4141 39473.38173 38175.86905 33124.58218 37097.29846 32648.29415 36372.49067 11135.09028 7099.557696 7969.220177 10665.43577 10370.29067 8607.075834
2-Amino-6-[[4,5-dihydroxy-3-oxo-6-(phosphonooxymethyl)oxan-2-yl]amino]hexanoic acid 133.4082912 330.2865603 21.13714281 176.0075741 480.5006974 134.6551528 498.2303997 445.5695355 74.31358124 113.4080716 362.154662 595.6658356 8846.828474 7240.2339 8444.991293 6722.458454 7858.603932 7538.860113 11017.65212 12187.56764 12607.32188 10821.13377 10780.06916 12524.23302
2-Amino-5-oxocyclohex-1-enecarbonyl-CoA 165.9131233 165.2048035 35.33559677 152.2648535 366.500183 159.482416 101.8759989 238.8881664 462.8459356 380.8722081 330.3112154 258.7332266 1685.148141 1418.376124 435.4753788 1211.062297 1826.942022 1644.188451 5371.481144 3932.849051 3848.061576 2627.644113 2407.739629 2484.021516
2-Amino-4-carboxypyrimidine 21117.13942 22383.24187 22750.00488 22243.21955 21674.10475 21024.91434 18240.21531 17207.44097 18018.52621 19513.05232 17766.00379 18408.57557 7367.886874 6593.937775 6143.857514 6315.761115 6614.53982 7321.017756 3401.632053 2499.225922 3949.004646 3631.209438 2718.572435 3219.241647
2-(E)-O-feruloyl-D-galactaric acid 453.977245 1168.639557 650.134348 1408.709579 465.3588975 1459.431231 8925.866656 7682.716355 8673.680982 5427.805322 8233.846069 10829.1134 884.0471805 1742.326218 1408.478246 803.2907373 1979.043667 1612.396015 3011.615573 1706.649061 2414.195315 1655.323845 3276.080901 2603.011229
2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol 11940.28716 14448.18048 12768.52889 13901.14047 12886.78047 13997.05487 15537.21842 16758.89099 16506.30278 16611.88873 16483.9186 16195.51713 9835.13326 7722.330948 7946.28592 9233.456214 6824.396134 8769.214644 13735.50214 15534.30619 15315.90523 12373.82537 12805.88002 15671.21432
2-(4-Hydroxyphenyl)-3,5-dihydroxy-7-(6-O-acetyl-beta-D-glucopyranosyloxy)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 1005.681704 984.4586878 540.1607163 1315.761804 1086.584316 923.9996938 2885.783009 4576.745403 3246.646636 3048.200939 4161.203786 2167.749446
2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 208644.5226 216298.5062 215236.8272 221707.4394 208601.0138 721934.652 1983308.123 1961697.442 1946171.329 1889401.58 2104480.49 1999064.081 9359093.509 8127982.142 9413316.28 8971179.391 8563739.151 8412642.826 286507.0371 272338.4824 680068.0102 287792.1266 283038.1124 298153.4185
2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 3960.874269 1376.413991 1353.797129 1154.517157 1705.04909 1994.530349 1151.616344 1607.662947 1196.905645 1187.767881 1242.285433 1157.592079 7385.230979 7038.468382 6620.047261 12094.08618 6666.312451 6295.564393 8239.230314 4836.714609 4934.982787 4982.720112 3758.261713 2713.360364
2-(3-Fluorophenyl)benzonitrile 2060.171491 2910.679897 1587.858372 3530.343061 1779.293633 2740.054442 1202.296705 1836.939986 1396.755259 2004.239909 1750.155682 3092.214386 18172.59914 15841.93879 18725.46184 16761.30021 21050.90649 20092.74577 28756.27607 31571.55688 31006.69492 47648.68419 21081.28254 27771.77265
2-(3-Carboxy-3-aminopropyl)-L-histidine 17052.44538 15359.00055 14893.2497 16501.84809 15369.05922 16111.06716 17504.28348 16129.55849 19188.361 16051.99884 20053.46916 16668.75678 1459.56024 1417.918082 1501.523158 811.4994159 1379.870941 621.4665112 119.6033178 746.0209159 650.1569943 725.1417674 755.2134834 1411.050629
2-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methyl-benzoyl)-3,5-dihydroxy-benzoic acid 165.2025987 21.79952362 392.7223664 168.6913793 29.24119887 57.78216412 173.0816305 33.96874428 19.78584885 371.0277086 268.7969868 460.0354142 1331.161528 133.4221534 171.5933081 342.9220922 433.0960657 318.6724444 2000.123838 1237.395644 2909.145195 2290.775226 2207.420667 3463.964519
2-(3,4-dihydroxyphenyl)ethyl (5Z)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate 400.2690791 444.0461112 423.3099737 1664.170528 410.4805571 1210.500701 893.9572063 420.5730691 729.5336589 585.7100245 722.7957939 671.960617 34980.39742 108142.6404 34377.25798 121238.8262 110973.0108 116920.4761 15692.23181 23287.99545 19885.42786 22751.16332 17507.06656 20278.41237
2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol 197.1294166 318.3398792 834.1687644 323.3758168 374.9455179 428.7519374 1989.996353 1939.249077 2243.828053 1683.435017 1864.801065 1928.363309 246.7533551 277.2244497 330.3895189 89.68435284 310.387371 17.59330676 159.807342 104.7759242 100.3264899 139.0579128 219.0175368 72.41750074
2-(3,4-dihydroxyphenyl)-8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 2107.088466 2415.564445 2755.695909 2582.703869 2537.476612 2342.986427 713.3195044 577.7888747 916.4854267 729.8549755 834.7462073 566.1575991 134.4031871 600.3060256 494.9367556 163.6438809 8.04311855 222.1255956 221.6009148 741.1636042 275.985532 585.707274 191.4951405 514.9451593
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 9160.163727 14971.36491 3860.334163 1110.112557 5079.898972 7549.401183 2644.100209 4646.582882 5653.318048 3312.238215 1645.905158 3791.694482 27034.63671 240139.5615 226733.7833 222115.7077 225164.9606 232437.9454 371782.0433 307943.2386 345578.8928 352544.9142 345320.3964 332733.8335
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 2,3,4,5-tetrahydroxybenzoate 92734.77704 109050.7218 105833.6505 95018.39526 79616.65302 116191.3157 28853.62016 42852.22291 43917.53248 56995.45306 27479.32453 26145.35807 59893.4712 58200.16059 94566.21754 82654.82024 90679.53754 89360.08948 149205.1015 132694.0992 144166.7024 158041.8591 111295.8222 152687.4343
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one 765027.1342 767450.0146 778163.287 807138.3418 768670.3104 747839.0737 803864.9573 789475.54 797433.7716 818247.4733 846334.6228 820217.8252 12779.12612 26191.95358 28605.40826 22516.04953 17193.32752 21317.80093 3252.803218 12034.09405 5989.379335 6183.186811 12298.92123 6081.863818
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 280928.7532 250664.9044 249028.0194 266175.7069 264316.7331 255493.1087 84683.64343 90661.73152 86675.52776 84290.02241 89590.43015 83526.74316 180923.6547 153994.0517 170659.0271 188761.3818 149739.9615 175020.1969 494.7475933 728.0390982 1559.311289 1983.851313 6315.855743 841.4484225
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-2,3-dihydrochromen-4-one 939639.9066 977143.9422 908556.4673 925314.192 826478.7401 806107.1275 589238.8915 643203.2018 560106.856 573227.4783 581092.8604 531954.2052 357.5443709 3964.786505 5465.460316 4300.713832 10383.38724 3254.837537 1125.640309 1920.534392 1147.949154 2032.36866 3177.181338 932.4030002
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxychromen-4-one 28245.4016 28158.1617 26304.19231 27967.7067 29000.31807 29406.83324 13163.46413 12540.62946 10155.50061 11737.78194 10897.71159 12565.03219 1013.346458 93.22062117 1841.146718 540.5798926 1370.00754 97.6902593 617.4886644 962.1852173 542.6758756 624.0333112 283.6312871 391.0824118
2-(2-hydroxy-3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one 1017.097248 1542.86837 1249.18245 1621.623979 1098.688972 828.7763903 1058.698715 1461.222217 1150.600756 1022.900923 1135.795545 808.6455434 46339.42763 47511.18717 47339.64945 49350.31359 45994.73955 47279.96401 35419.74423 34367.07536 36521.84371 36001.84946 35286.88126 36440.37035
2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate 776.1634142 359.2686565 276.6570733 65.61943236 52.89539034 510.1412279 771.6739662 1076.869172 57.25778397 839.9438958 757.0334269 60.5297345 7537.888933 5060.607401 6437.775833 7452.409388 5823.298114 9862.061653 18873.95471 14095.06878 5985.94177 3073.437457 7986.097725 5859.497645
2-(2,6-dihydroxy-4-{6-hydroxy-7-[(2E)-3-methyl-4-(sulfooxy)but-2-en-1-yl]-1-benzofuran-2-yl}phenyl)-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 46336.31453 52555.40067 50701.9962 46530.67746 47874.87674 45197.14404 41155.28864 43650.05729 37773.35118 45463.19092 42681.32524 38872.05775 312112.8768 322838.8397 292559.6782 324620.8831 318813.0319 308316.3796 289461.5646 253423.9012 285373.5229 296127.9904 265358.3934 296953.9099
2-(2,6-diaminohexanoylamino)acetic Acid 606.6329756 369.9210379 285.6124665 413.1989726 415.285889 300.2065048 345.7689885 70.29474127 193.2336897 278.8944771 200.7741634 243.6750269 161.2042507 264.6278105 246.3695239 240.6165342 346.4185358 94.54614255 471.8564386 1512.3609 2079.927357 2396.065667 1879.648781 2216.463889
2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one 13777.51688 10454.52061 9154.786583 12786.57037 7728.582324 10480.10118 44400.93799 26121.39714 27337.29662 30196.58473 28958.7537 34216.67231 6975.581886 4155.585602 6135.34841 4358.965904 2702.170622 3857.706265 1914.346898 2110.047373 1387.076969 1046.087612 867.0717419 722.7495018
2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 41983.55993 45109.91268 42870.53333 44785.58287 43736.90213 41529.02886 14016.11269 13745.77254 12916.3207 13945.77773 13575.71038 13276.48478 13399.12357 14624.04004 13973.79017 14722.23422 15607.08573 14830.3405 15272.14866 12715.48235 14782.04399 8976.954296 14034.29825 9382.765418
2-(2,4-dihydroxy-5-methoxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one 597.9769679 640.2783862 86.64547451 1438.834357 462.2743313 877.0048174 2257.433363 1578.102435 680.5068441 2046.874707 1245.526935 1113.226664 5619.392785 5295.893372 4081.827427 4859.375792 5466.413489 3818.518963 12019.92042 10742.71449 12151.66053 12407.55603 11784.8069 13632.58984
2-(2,4-Dihydroxy-6-methoxy-benzoyl)-9-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-(4-methoxy-phenyl)-1,5-dioxa-cyclopenta[b]naphthalen-8-one 1743.823354 1765.100439 750.5338992 232.4621254 4155.477312 81.29447325 1308.51484 321.4329608 126.286462 457.7688891 707.527679 2001.491781 5723.889287 10391.0703 7774.852333 9502.25575 7703.93072 8001.449255 13320.66082 5077.8212 11523.21191 20502.41906 12094.91094 15147.74844
2-(2,3-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-chromen-4-one 2528.067967 2629.158733 5336.623495 5083.650939 4829.361001 4327.194638 2006.351756 844.3452395 770.6459883 410.9347821 714.2680952 410.2441307 212911.3945 201108.0757 206390.7814 218476.9185 221148.0874 203445.2739 54940.624 53122.25574 58810.93534 50864.84049 53676.76286 58629.39019
2-(1-ethylpyrrolidin-2-yl)-5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrole 480.1647245 972.1971087 748.8797778 556.1362086 454.9781192 531.2522116 820.5384057 595.6528699 806.738983 542.8777333 535.8667169 717.3173513 5012.159716 5580.889268 3478.188002 5378.422991 4318.15988 4373.727903 5411.514915 4916.810817 5390.685188 4885.096884 4203.564649 5034.635379
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxychromen-4-one 1704.987676 1724.490139 3057.145591 2861.021305 3463.807432 2822.071567 3649.431366 3458.287059 3147.130813 3540.392868 3335.314975 2691.453141 219.7703951 157.1516225 20.55779001 187.4151835 168.9253842 132.8527222 323.0093111 56.36805845 675.8558753 366.3551208 486.5815852 439.8466111
2-((4-Pyridinylcarbonyl)hydrazono)pentanedioic acid 5199.549755 6672.894663 6005.085208 7496.886076 5660.168012 8187.974388 4559.68624 3283.820188 3582.981395 4217.533694 4462.627753 4172.738744 984.6688584 763.8990862 818.4422103 893.8182098 829.8628288 864.6396442 271.1502342 48.93485539 220.4770024 53.33631529 143.7329241 186.1318026
2-((1R,3S),-1',9'-dihydroxy-1'-methyl-10'-oxo-3',4',5',10'-tetrahydro-1H-benzo[g]isochromen-3'-yl)acetate 410.1020653 373.3979737 390.7927093 383.0986661 482.7129798 893.2899471 120.8429247 127.7325513 399.4833675 262.6218301 94.0108462 307.0204016 11375.63833 12029.65239 12290.78352 11287.80665 11072.16479 11469.6754 6533.516946 5814.086134 6498.238963 6979.554997 6194.574181 5629.406926
2,7-Dihydroxy-5-methyl-1-naphthoic acid 15520.67415 12783.61652 8564.459535 15093.45611 14324.78185 14726.51922 14915.72165 11920.05229 13397.0687 13491.23105 12636.08586 12834.61765 4531.047981 6487.312444 6245.735984 6172.745093 4376.809021 5646.790529 4826.31677 3345.258712 3711.455953 4959.094697 4157.451392 4640.788036
2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside 2133.904786 132.8390086 1452.865294 2132.457748 2289.32879 1781.001484 1642.769915 1911.620366 1384.593561 1605.878685 1523.122171 1384.184826 42230.4425 37219.26652 37281.94788 34311.18697 30977.72603 37735.28134 74338.74049 43061.8783 45813.28589 51079.44371 44751.84012 48510.43398
2,5-dihydroxybenzoyl-CoA(4-) 1808.682314 3214.122801 3069.581745 2839.120549 3817.711157 2716.992696 6351.169312 6329.53467 5941.895468 5689.882349 4716.526168 5327.575495 423.9332493 477.564516 706.3512395 694.5785448 580.0778752 902.416458 229.2418412 253.7310801 296.3030661 163.2689593 127.0583379 309.657789
2,4-Dichlorobenzoyl-CoA 3541.014777 3919.77418 4224.849086 3908.892617 4558.500459 4736.110474 2978.377318 2434.911631 3056.103714 3274.303749 1848.7432 3754.54936 9214.990595 11261.82789 10829.69297 11615.56701 10998.49071 10920.16529 8881.467614 7585.212113 8901.647145 7986.415336 8357.190163 8868.435489
2,3-dinor Fluprostenol 75196.06354 75328.6819 75991.23005 73424.02688 75418.6794 74218.03088 140273.9033 138925.2528 141355.752 142160.4804 130268.0256 139969.8215 20581.82346 22323.26293 23412.81691 21197.38584 24726.04862 21773.56646 6575.222117 5076.612861 2369.567962 5847.436232 4467.359424 5176.216392
2,3-diene-Valproic acid-CoA 65757.15904 82349.61421 59231.19891 75827.6105 66437.24016 119720.3342 50590.05676 41257.11209 51501.87182 41440.76477 43004.5792 31265.69416 60401.19808 61928.52985 61704.93876 64325.74201 59951.91387 61627.14167 46167.92 44795.81713 47604.45326 46926.66595 45994.73955 47498.25667
2,3-bis(Acetyloxy)propyl icosanoate 1946.458715 1913.780946 1891.130793 1794.302086 1836.773869 1156.032868 2039.088478 2067.697843 2382.007165 2172.40497 2255.692536 2448.044167 2086.437455 2139.869951 2095.192988 2154.502108 2017.127773 1989.682697 2460.370166 2613.683967 2333.526 2477.38452 2552.279603 2525.939301
2,3-Dimethylmaleic anhydride 43086.98128 40094.4995 41550.07234 41670.41829 39408.47688 39099.46564 45474.52422 44991.90524 46692.83249 43768.24999 46209.44163 44921.45611 130521.64 128932.307 130094.5057 133469.1585 133591.3973 127540.0694 59449.39662 43837.1588 45565.61496 43670.49738 43118.30307 45638.06058
2,3-Dimercapto-1-propanol tributyrate 45905.98146 43141.78313 44478.06581 43693.11807 42224.14066 40453.79952 54048.20144 51920.74642 49420.54667 52096.78602 50258.29452 52535.85472 2690.381768 2502.560203 2765.789517 6900.182198 2662.352812 1089.717617 2337.825914 413.6858743 1383.06885 3935.846216 437.8265005 902.5182627
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one 280792.506 269012.2047 280139.1136 260366.9394 273185.4053 269263.272 93669.4213 97738.58219 113183.7717 95624.76448 51910.78286 48757.24758 72922.44838 87971.00435 70993.30244 81032.37651 97928.55016 80581.68403 401310.1908 420814.2875 401558.7534 398999.4984 416494.9162 401715.254
2,3-(S)-hexahydroxydiphenoyl-D-glucose 5817359.615 5480053.519 5433811.231 5451932.024 5136420.619 5056354.625 4832123.402 4774367.623 5015386.19 4684930.752 4713798.271 4636663.973 62033.35956 51375.1993 49783.6197 49479.57301 54979.1224 44859.17783 7053.817174 13570.90309 15595.24573 15431.17103 14777.87536 16971.21249
2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-(2-methylpropanoyloxy)hexanedioic acid 10775.16204 9673.230488 62168.60918 3791.943588 61829.11275 11086.18715 6858.509098 9464.285252 3328.871617 10054.22144 7175.163686 6308.885687 5505.357701 16868.46418 7283.822701 9254.150142 29252.67924 5224.996669 4998.741344 673.6069092 166.8250387 676.9831233 943.8814548 5260.305799
2,3,4-Trihydroxy-4'-ethoxybenzophenone 291062.2904 286454.9074 280640.0427 288458.8496 284829.9443 276285.0324 104617.1049 66396.14162 76255.72954 75786.82339 69267.31037 21539.5947 486759.0438 495661.2307 464126.8555 475174.1387 493602.5222 485921.1558 40970.32263 35173.18275 38235.92714 32920.48959 37520.35069 39135.74291
2,3,4,7,8,9,15,22,23,33-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,28,31,34-pentone 9560.763054 10076.40681 10283.36 10329.97357 9305.396097 13333.49639 3941.964597 2303.19481 2497.578188 5522.322219 5054.580181 5155.168046 13833.96377 10586.625 10394.05343 10781.18331 13984.39568 10310.12545 9614.893523 13524.40717 10271.2324 9679.184421 9629.632688 10238.7112
2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,31,34-tetrone 22312.47792 22113.34629 25115.19195 23015.68263 20954.7438 20026.8886 16480.27156 15586.44535 21443.15897 16906.09747 18304.76774 3826.202924 252.9482642 949.212489 177.5534347 476.5950612 197.2785189 155.0246624 555.3480313 175.2072299 85.36247401 115.2389936 59.26576699 222.2470206
2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22,28-decaene-12,27,31,34-tetrone 10471.03033 9648.578698 8941.503805 8416.078273 7855.090906 9101.598687 5944.758661 5687.016252 6988.75481 5587.114761 6463.876905 6504.35402 48019.06299 54448.11472 55816.9013 61776.66717 64585.80597 63895.24118 79985.85063 86851.59968 80752.94818 80444.75004 88814.43712 85225.89735
2,3,4,7,8,9,15,21,22,23-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19,21,23-nonaene-12,27,28,31,34-pentone 8225.80724 8488.468927 9999.79453 9262.679084 13371.76282 11045.65492 1452.727753 1787.036071 1358.321939 2105.558411 1431.052213 631.1361995 2068.51543 6509.878567 5802.577262 3442.536082 4075.837311 5810.395595 5223.679314 5566.275931 4763.645363 3592.382274 5532.673309 6515.871847
2,3,4,7,8,9,15,21,22,23,28-undecahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19,21,23-nonaene-12,27,31,34-tetrone 1670.170738 7686.926749 8507.452823 9862.72123 7921.237177 9045.938659 77.64988074 36.65937292 56.9226826 685.4221192 19.79918447 94.62331946 327.2161431 20.41800281 27.37838057 480.0567408 49.78896224 126.0649855 105.9717015 141.1807513 120.8261697 104.6701412 14.38531122 106.7665107
2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one 1553301.215 1476314.421 1492783.597 1403370.978 1401764.766 1402834.22 1494148.332 1488823.997 1488680.623 1420205.194 1338618.65 1364612.443 7381.788868 3843.17456 16125.2876 17710.15207 19545.34844 16785.51078 38841.64595 38312.61813 41046.93038 37744.3864 39483.42958 743.297576
2,3,4,5,6-Pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 2339.829172 833.9530801 901.2679532 643.1930741 276.4801988 4471.433895 3577.945856 5198.159516 5213.886148 2519.075295 3880.120426
2,3,4'-Trihydroxy-4-methoxybenzophenone 67814.83779 69242.43181 71149.69138 64638.19114 111184.0028 70569.68631 28209.22954 27495.14255 27063.55159 29051.24285 28143.58601 26628.54542 3156.183411 5398.415395 1952.033044 2912.373051 3316.99699 4149.897538 5021.290555 5745.20152 13310.54806 4415.113657 6237.672124 4590.457517
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 319.4355594 198.9591546 406.2215877 454.9883627 354.2788446 604.672494 1152.277753 1274.176859 855.9532009 902.2287532 899.3258814 1131.648261 5324.090629 5455.321451 4534.009509 5925.285433 5616.244686 5067.98539 1644.455691 1568.823322 1032.571936 1959.405742 2558.804923 2813.045156
2,2-dimethyl-3-phenyl-2,3-dihydroquinazolin-4(1H)-one 18860.04581 18993.39212 17817.09913 20041.85952 19378.7818 19635.11326 17441.9289 17079.99635 15872.32803 15418.84953 16296.75428 16742.22308 106.1697189 467.2157593 846.5373018 480.5926128 284.6521074 142.9755543 62.2862259 440.6033695 520.4435372 175.40858 331.0319132 41.52407098
2(1H)-Pyridinone, 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy- 124.4193957 298.323225 207.3522569 61.19352268 334.7201909 358.7592222 279.3779925 491.8154176 176.8295818 391.250139 141.4927288 178.1971513 272.544862 650.6849015 578.0401819 260.8143411 781.3230897 686.853377 11626.47585 11246.16273 10794.41244 12995.98698 11794.76682 11632.69859
2'-deoxy-5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]uridine 17599.00176 16515.04565 579.3886453 16133.43441 14420.46217 17176.85228 29736.09763 36360.02699 31432.07023 32377.30375 35289.49875 35248.94238 38732.81903 5186.774205 8894.423408 1619.375478 1846.61343 10578.06664 21254.10918 21625.00075 24003.04269 26692.11499 23068.66347 23293.59488
2'-Oxoaloesol 7-glucoside 148788.4272 145230.2504 141421.3066 145138.4962 136028.1668 129967.9544 151781.9162 150686.6691 145054.7001 145740.6798 160806.8463 147231.0927 459904.6802 427520.8429 464737.3883 451837.4629 442922.9322 440668.016 26137.53511 27071.03309 24345.90751 27637.85897 28529.67113 12470.9715
2'-O-Methyllicodione 6955.303111 8918.726256 8725.340986 9668.180867 7867.95465 4360.767073 667.140661 1418.663681 1006.856252 1675.833968 1862.669698 2005.070094 17999.98836 19148.56372 19031.3548 19781.81073 20824.73309 19299.60582 49967.84952 48512.70952 54549.8207 51373.64577 51699.58026 54708.25387
2'-Hydroxytaxine II 210.0759787 1329.714925 1569.945727 1969.8513 1702.776584 1797.153272 6186.236618 11058.58508 7014.423993 10799.30584 4942.387808 12938.8725 8698.876328 79.6012366 26.33948558 46.68361641 32.16699832 52.21287134 101.9783067 21.86867941 153.3275526 240.4290953 208.0367359 123.6564508
2',7-Diacetyltaxol 577.2397575 365.3507986 385.3798612 347.0441007 245.8161 465.3497363 368.812372 451.608177 139.9940418 789.9305003 183.4549908 66.48010294 13309.9502 14838.57298 14956.40806 15705.3939 14424.60387 15007.60439 7928.594941 8631.095247 9179.09513 7655.345506 8802.123002 8301.926748
2',4',6'-Trihydroxydihydrochalcone 44873.86855 46772.98989 45800.64203 49312.8446 44635.06698 46541.66158 58253.9375 55665.18138 58616.21675 56180.05435 57259.70264 56938.49729 49509.58908 48976.06116 47070.09933 47702.0864 46992.70208 45931.05316 11092.38079 9832.512584 11775.05523 11673.79052 12154.93689 12073.00873
2''-O-acetyl-ADP-D-ribose(2-) 1271.995079 2054.2578 3226.720406 7457.205179 3636.648085 2169.843627 1606.538462 3874.380151 6335.003124 3802.370023 3933.295594 2016.927526 1629.57028 8464.628454 7680.901995 4298.829179 4102.166177 6731.555637 4172.286302 9011.34756 8398.802 9033.299688 9048.346814 5203.746758
2''-O-Acetyl-3'-O-Methylrutin 469.9287096 1680.061142 1173.224574 983.4754597 1443.644707 1579.694997 1073.617216 505.040823 772.8928888 685.2076137 296.0421479 889.3677304 31379.17606 32930.21237 14897.64504 33147.09762 29812.12771 26792.88641 16880.06857 11905.56272 14133.9597 11478.50652 10082.17857 10718.80172
2'',6''-Diacetyloninin 14220.7074 14342.68219 6404.809494 10861.43124 16274.70811 17666.78283 8698.794777 16320.97599 7866.242884 10555.86534 9040.698728 16285.13333 47957.98901 44626.70898 41793.35223 47701.45705 44553.3115 81827.35039 45364.28772 44480.614 46090.84455 45610.16816 42534.60201 43156.71159
1alpha-(beta-D-Glucopyranosyloxy)-7beta-hydroxy-7-[(3-methoxy-4-hydroxy-trans-cinnamoyloxy)methyl]-1,4aalpha,7,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid 10111.77606 8078.148126 12018.33833 13300.40603 10551.17343 10110.07286 1407.936792 4268.647556 1919.278721 734.7056451 122363.1136 804.3615388 2753.423649 502.7136598 2429.524236 716.1796487 2969.331311 272.8296268 24453.64508 26024.083 26279.91162 26474.23822 25772.52403 25774.67712
1H-Benzotriazole 347.215311 478.3090544 140.0602707 159.3481578 189.0543608 345.8531972 356.6042623 319.2640234 278.0388007 494.7507722 179.7918592 210.3912557 1132.950589 1394.121528 1843.532959 1346.236819 1989.596898 942.8541928 2618.387421 2204.82593 3075.80296 3307.195342 1381.587862 3452.920283
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 67604.53807 67360.45391 70221.46473 65446.75698 67275.5264 10831.82233 4340.462588 10562.92742 9682.890807 8695.73235 5856.490401
1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside 815.4627305 756.5452183 1221.574965 548.5779916 942.8717315 691.2852151 61.01065975 213.4897699 494.0348439 198.6232948 46.65502933 332.393408 82.06173051 29.79691744 159.1857323 181.8977223 95.32555128 55.4795067 51.42457607 80.9384829 108.955138 78.34080171 147.7263766 120.0423481
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate 3025.085389 3415.520142 3307.992377 3070.131531 4137.509202 3944.986878 2103.162546 2014.685012 1615.697154 2318.913074 2308.022465 2332.415343 2048.999947 1764.038003 2388.453844 1968.322765 1829.744935 2271.991709 1910.182172 1501.109123 542.5242349 1522.420289 1325.040278 2230.597833
19-hydroxy-17-oxoandrost-5-en-3-yl sulfate 4043.467253 3338.20962 3974.879663 4007.801863 4403.098846 79.09617247 19188.12855 2914.507901 3081.943387 20868.20242 3187.175566 2589.838259 53753.13036 59477.0569 55986.0288 62928.71071 64424.50292 55843.3335 17216.5923 18329.42625 19720.59406 19073.79101 19069.35472 20544.58297
18-O-(2-Aminobenzoyl)delectinine 18981.39994 16654.56183 15899.72457 19744.03274 11060.65232 16532.54133 5866.660458 8119.333725 6002.283226 6356.768316 6766.839093 6377.234437 2604.208831 3730.334011 3601.845067 2460.208717 3906.833381 2975.68418 1285.732265 1429.332409 2008.386682 1852.693185 7.510690236 1678.644877
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2 72.3503781 105.3217549 72.18843195 530.2611777 400.2964078 838.2374536 45.57314556 319.6495573 210.8008337 297.7134557 90.66220901 349.9527528 10734.36407 10074.61899 9188.926443 10394.75131 10174.57769 10245.10992 23198.45985 22508.29107 23741.90038 23466.79127 23777.97852 25072.1395
17-phenyl trinor PGF2 diethyl amide 4868.444872 5170.988663 4763.973731 5854.219522 5532.876037 5690.101413 4699.892475 4241.042072 4599.1113 4391.557665 4520.85736 4813.92979 20169.5865 20945.30824 18341.49876 20389.97792 20053.12443 19954.71108 54670.43363 52347.9611 54197.79446 55001.63763 53294.10211 58388.11663
15-keto-17-phenyl trinor Prostaglandin F2 ethyl amide 2287.708609 2219.850141 1993.124366 2021.656809 2094.387098 2049.506643 853.2817576 417.0305455 781.5235509 650.8282447 561.4287936 830.3125092 7660.388354 13579.87084 6994.158455 13487.17495 13140.57393 12882.05335 31408.79422 31289.3853 34465.57224 31776.52711 32172.8594 32993.2665
15-keto Fluprostenol 467515.1836 470568.1029 489993.0741 476488.9263 456834.589 464553.4037 314591.1818 316763.4577 303862.4982 296564.3528 823702.3407 312829.3988 13294.72328 14290.05439 13707.00377 12623.02815 11340.3164 12796.35615 10238.35452 11876.32403 12539.83803 10820.37096 13588.25196 12359.83075
15-Demethoxy-epsilon-rhodomycin 695.7454179 714.2337056 1027.251178 1023.083003 815.0521826 877.083264 5.756145024 622.0387729 16.36684074 490.7316695 6.793027598 14.97043253 7403.10148 6247.791387 6680.321483 7973.826758 6315.141207 8265.862532 4798.582123 5022.187047 4069.208503 3908.785977 4629.899373 5012.330361
15-(1,3-Dihydroxy-3-methylbutyl)-4,18-dihydroxy-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one 1150.996444 1302.877972 2058.328837 1037.68728 1454.545007 787.8558193 10007.85307 7644.665523 6616.162953 11066.29291 15190.54282 16782.0898 853.1262518 664.8337455 1217.444529 771.2901748 918.6074338 471.741915 880.7635078 800.8535145 477.8698336 503.221702 1025.191809 846.0440928
15,17-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one 17010.89249 17226.57263 17272.32737 16762.44286 15034.51488 16079.30938 12403.33627 12301.62744 11988.72969 12017.86277 11908.11218 10524.37508 7875.035622 7771.368373 9267.501796 8249.763716 9115.676747 8321.427498 14893.79393 12979.47361 12224.19927 13234.7409 12090.03952 12914.18199
15(S)-HETE-biotin 908.0341087 1222.180973 1180.474899 1065.767337 853.2593776 1472.821205 1500.526089 26.79454231 48.51273956 2176.079683 3757.656044 41.76164058 22781.57577 23297.05589 23119.23858 25240.36548 24240.24649 22256.14307 13763.83794 13244.67229 14432.33236 12426.25009 13312.16735 12778.61353
15(S)-Fluprostenol 30756.69749 28354.2167 31843.66112 12988.544 30001.40184 32788.17019 22755.81934 29339.58708 23444.95177 22083.91598 17528.62744 20899.89688 1485.709286 1627.258037 1325.638608 1171.608689 1811.645134 518.6695231 3350.83605 4755.207237 3454.940182 3626.809046 4331.279854 4027.775219
14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,6-diol 1659.841644 1874.221541 2942.682957 915.3693588 2302.488843 1126.9236 518.1044196 380.1824295 576.5318173 275.3647969 276.266999 310.1784857 239.9371138 2112.285792 1499.012318 894.8694292 2216.443599 1283.846542 4451.237715 4332.820772 3948.606684 3168.294187 4492.232599 4516.982373
13-Oxo-9,11-octadecadienoic acid 138.0836757 127.0028335 155.9882185 92.57265718 88.03003681 177.1240214 18.33057807 225.934026 209.2914152 180.3152949 206.7018048 139.1006872 3155.03671 2992.020457 5777.931988 2830.392782 3089.691133 3807.317304 5045.761737 4179.418868 4727.765686 29905.01763 7072.409342 4118.392506
13-Methylmyristic acid 7205.516275 10553.02345 7566.392702 11491.61633 7435.323856 6016.475304 11480.74071 9816.402509 11420.09866 11511.36635 15962.28037 11382.10379 9433.474145 9348.794682 15188.98479 9473.614874 9761.033384 8058.130507 21810.28725 13569.26103 21663.12202 14156.31387 13381.41619 11953.01665
13-Demethyl tacrolimus 162.6306623 190.2697875 140.5705538 116.2276093 92.56734964 147.4954764 231.0282505 207.4048942 101.2441861 164.3168521 169.9772327 129.9815298 3080.260579 3097.651097 2636.844098 3837.660319 3138.446225 3799.49946 4746.510176 4297.255878 4488.860721 4579.632156 4743.971925 4596.928807
13-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 1094.954802 388.4366966 544.0077739 776.6663354 330.2929511 384.7035425 55.32680889 244.3790084 1334.606394 214.6109572 189.1537791 218.3213828 53692.9845 80160.21026 66061.5437 63371.30374 69854.14232 84094.05708 45231.0814 35779.04173 42560.99559 38625.10627 40063.98039 44839.75555
13-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 116.3341058 964.9295023 3825.599713 960.1049054 2918.357092 3536.20378 40.00404621 9084.164339 644.3838134 6313.894504 571.4370863 230.5981369 7193.510991 19703.6444 10525.17943 20743.47684 11665.12924 17667.31471 17582.61331 16843.94543 17018.54702 16607.74441 16557.03248 16899.24741
13-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 834.4842682 7561.87446 4496.511867 6745.574836 7672.523234 8059.459675 50.03961002 1661.312591 7621.262808 209.6010595 6049.1447 484.7964533 27070.77792 62566.41417 42444.60323 54783.38507 35734.93163 48476.32032 58257.71436 55630.66278 38563.02979 39393.44844 55602.41573 58627.05285
13-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5-(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 17239.9571 16541.25841 2401.880387 7549.594806 2242.272983 21560.88415 57384.98376 51564.82487 61979.30641 56387.96823 79053.99008 55372.4923 85399.09462 87558.53441 87242.40695 90947.86698 84763.86774 87132.41244 65275.17158 63335.20439 67306.2346 66347.93536 65030.31793 67156.08705
13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid 19671.5793 17905.19462 20684.34145 17599.62713 19879.11578 17824.55302 23705.16743 22428.9469 17182.62935 17958.58423 21743.30138 21655.88482 1755.806413 2238.033411 818.8385323 1548.421627 816.5925334 1255.78299 13507.71514 28812.44946 5496.961272 19937.11967 21192.58368 18909.6855
13,14-dihydro-16,16-difluoro PGJ2 4682.546293 72.26849508 5900.683656 5832.845788 4627.099774 5568.533335 8137.452441 7321.335015 8868.239582 7748.54104 7875.203133 9130.238781 31139.74513 30204.7722 31781.7566 31056.42006 31482.14878 30472.879 160284.2625 157390.9175 167495.7257 157714.6682 159809.2889 162986.6409
13,14-Dihydro-16,16-difluoroprostaglandin D2 14484.74213 13771.49988 14224.72026 15999.29744 12817.03634 13665.8221 22271.39182 21232.62428 20356.37662 21427.30324 21679.34595 20585.48887 335.3083427 106.8202365 953.0235615 465.9158612 580.0865621 886.9925967 83.03456082 646.8941518 129.8858893 400.1360392 332.2821853 517.772673
12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE 60226.90787 56347.59887 60663.83209 24785.25012 8677.382781 57989.52549 52912.24337 49787.29042 47850.20642 43593.00156 44818.82078 42530.61755 1781.721485 1172.916085 470.1511159 918.5983234 1593.559326 3527.44545 719.3381553 1480.680412 2037.632586 1092.740407 700.1996844 1462.438055
12-epi Leukotriene B4-d4 916.4581772 748.6629163 834.3249664 379.8669161 866.5229727 652.8155358 927.0231983 1165.911077 1036.702688 822.3712316 1226.889669 867.5750726 4112.586087 8233.733355 4286.112409 8056.018527 4610.343273 7493.85887 2993.907123 4103.062045 6324.386705 3624.449085 2811.304515 6652.682038
12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d 2680.03531 1946.550689 1832.692481 1689.714832 1233.240468 1996.513094 1822.26413 1203.018461 2730.271702 2568.103398 2262.96344 1719.719987 3347.160547 4299.854013 3922.003855 5220.578889 4906.443072 4546.1109 4421.630763 5410.114214 4878.423769 5192.695091 5438.864757 6267.703366
12-Ethyl-71,71-dihydroxy-8-isobutylbacteriochlorophyllide c 18766.41621 21795.938 18807.48909 18832.83034 21397.78011 18817.3105 24815.33235 23678.02635 21973.85121 20953.29187 25521.61601 24275.17713 41.80245926 563.7193257 295.6159152 240.8795484 265.9367272 1410.559841 50.03792838 251.9392936 30.9300035 146.2645127 468.4710166 144.1655356
12-Deoxynogalonic acid 43514.30249 37508.84487 38757.48903 42478.14004 38079.75547 40190.47891 38855.92868 41458.35825 34743.39664 39282.72728 34999.17052 33608.02139 153.917821 8576.280369 5730.186371 8158.70152 2855.705978 8067.345395 148.073115 553.0635819 1088.561455 97.41618809 502.0058807 815.1759687
12-Dehydrotetracycline 321650.0979 314378.044 308972.6555 313772.7111 293444.9674 303929.6193 313818.651 301341.0449 297888.1861 315952.1457 327270.9903 311851.3457 115798.3833 104870.9946 105918.4925 108453.6212 108813.999 112609.9822 74470.60826 73059.16865 80219.78154 75456.88293 77863.32237 74066.53773
12,18-Didecarboxysiroheme 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 6212.825913 8606.19105 6486.207937 7551.191216 7974.72075 8302.76853 3282.493932 4194.494873 5487.167101 4365.703155 4748.682027 3446.854947
12,16-dihydroxy-5,7,9,21-tetraoxahexacyclo[11.8.0.0(2),(1).0(3),.0,.0(1),(2)]henicosa-1(13),2(10),11,15,17,19-hexaen-14-one 8661734.451 7644683.683 8205716.813 7579823.315 8208779.951 7292876.74 9684980.071 8621099.414 8625212.424 10005851.66 9982284.22 8816768.186 11530.76805 11460.2048 11838.33485 12895.58831 11273.01511 10496.60694 10937.81606 9088.520201 10680.80004 9933.997777 10008.90621 10137.06991
11beta,12alpha-Diacetoxy-1-deoxo-14beta,15beta-epoxy-3beta-hydroxy-2-oxoneotecleanin 698.7858473 126.301232 797.7855148 482.7510733 746.8521343 541.3604839 592.5950041 7.429486205 6.438894467 119.6142669 59.43568365 31.6089966 20270.53946 22143.3 21408.55705 19522.10269 17146.73441 19304.92287 6971.391977 7728.516998 8985.852123 7684.979366 7667.088455 8185.106218
11a-Hydroxyoxytetracycline 77234.86388 81579.78939 78921.77368 81920.83787 78702.74994 80072.21191 56855.30666 54334.73148 53853.55994 54500.65036 55869.20337 55343.72501 167191.4547 159442.7555 159263.8227 160100.0793 162173.2769 160773.3989 46369.19622 40950.65008 55891.95911 51334.4941 49951.28466 52674.21078
11a-Hydroxy-7-chlortetracycline 20109.46532 15845.95639 17943.65273 15894.05571 14130.06049 16200.99781 912.7956119 2379.243861 4113.911817 4147.568562 3564.047362 1877.074938 1439.996332 1101.912983 797.6893223 1190.168188 1015.268205 971.6455642 97.96540932 310.7683757 209.6499854 253.602194 123.380816 83.26621849
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0,(1)(2)]docosa-6,10,17,21-tetraene-11,22-dicarboxylate 31113.14451 41936.35999 32690.53961 48398.37769 33211.25751 38489.26642 12358.0453 12803.01619 11059.6075 13583.171 14492.08468 15318.15542 83044.3669 87630.4999 196340.6334 86211.39339 194724.3015 92282.06874 67112.00038 76820.81108 81245.87867 90217.33584 55030.16965 80222.67554
11,15,17-trihydroxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one 2435316.446 4603437.493 3408604.952 5168163.87 3407260.787 4596587.691 4586840.257 704980.9356 485961.9342 549812.4741 903777.0945 3757200.132 446.5843698 937968.9795 796199.4977 1173334.296 848634.4255 1137808.932 780.5247464 1165048.29 1069273.651 1015253.401 1010176.505 1064945.485
10-Oxabenzo[def]chrysen-9-one 132467.6303 133341.4455 142501.2497 128491.3535 139736.4604 147795.8765 112813.0485 111420.1948 139443.7714 121697.0657 110812.4733 117397.5274 43583.73076 52699.75349 49374.55537 51480.41277 57853.8937 49932.95064 15153.29025 16819.85316 13625.13913 20147.91836 19886.46601 14992.58557
10-Debenzoyl-2alpha-acetoxybrevifoliol 1514.598243 949.455074 694.8974658 803.8148534 736.4684372 875.293351 812.1174736 1805.45426 1159.176793 1379.635541 995.2973742 560.872406 881.223153 1379.941687 1766.014633 1705.169301 1608.144334 1505.126809 580.5183836 388.738999 828.9258743 1788.851421 474.0072313 739.9631676
10,11-Dihydro-12R-hydroxy-leukotriene E4 732.8711089 672.5511173 65.73487145 625.8608359 673.718752 722.6302909 1173.163377 1480.135577 1465.251978 1425.506466 1337.298738 1248.189745 1541.942256 1591.004279 1546.545424 1624.22363 800.1009041 1400.169193 1253.114328 734.0438899 1770.228185 1380.090462 1289.247372 1624.078016
1-{[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine 268.7421987 163.3711825 309.379102 281.0086414 277.6374211 173.1076398 378.2009005 336.5640957 281.7628739 487.4956145 529.6925485 201.5736522 2222.07833 2944.651436 4033.744139 4223.061241 3761.350489 4230.50643 5299.935695 5501.473312 6301.541949 6133.05236 5560.891107 6626.565358
1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine 134.2068848 52.93500262 21.64274531 99.25841459 88.42008658 153.3480271 43.50301988 79.61066571 92.44357039 85.48344036 200.9828969 110.9318895 1303.777637 1529.015687 834.398234 1912.362713 1155.74885 1323.204391 67.86484989 10.98448779 104.8422183 189.4372825 159.6560407 91.35638632
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol) 249.8415989 367.9456109 105.941063 229.2516211 78.6758987 282.2924677 454.6922427 487.6313246 330.5622674 784.6142176 182.5457969 759.9401652 110.0863286 190.3918801 165.8701736 1189.90762 630.8080675 634.5206284 2534.052734 276.0310391 88.01016904 123.5697114 957.5134583 819.4995936
1-eicosanoyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine 5688.326114 10752.48977 10073.17933 8922.031722 5743.443373 8719.850365 10478.54786 10818.86207 14349.48693 9965.37036 8953.924827 10316.64043 2276.206646 1518.312871 1670.415071 1163.482777 681.6481454 1786.290329 1693.3104 1097.175675 839.8024925 1091.59343 1025.834819 804.1669267
1-eicosanoyl-2-(11Z-eicosenoyl)-sn-glycerol 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 81.56546077 67360.45391 70221.46473 65446.75698 67275.5264 2488.502845 3110.472828 3631.492049 4057.651409 3439.043636 3976.375334
1-[6-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one 154098.524 165017.4628 173735.041 173598.7302 159067.8461 160152.4265 100898.4817 101982.2816 104055.2531 101323.0234 101213.1803 92870.47024 17314.33158 5262.357937 4094.363057 3491.605781 1622.611212 1629.497507 599.4453036 2288.537273 1410.650296 2093.060903 257.5121598 2025.68463
1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylic acid 82545.92474 80456.60075 85353.49553 80341.76625 73530.04812 82431.01385 92124.30214 89471.86315 88369.95817 91171.87133 105541.375 98564.98871 1402.833078 2582.165984 539.5674186 1629.197295 2558.746841 1859.399666 690.579668 35.97112327 2841.553706 773.9179161 529.2405813 1887.271808
1-[3-[[3-acetyl-2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone 8949.595257 9307.399252 7454.008542 8096.816658 8188.025145 7750.933027 7299.854225 9987.171954 6115.429776 5769.385663 7465.438233 3813.184877 11276.95202 54668.6787 49333.39346 51941.18004 56501.9375 57528.82445 50273.23732 52319.06143 55501.99492 43945.15078 53146.13742 49704.90874
1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4,5-trihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one 11189.87896 9057.82741 10542.12045 9487.624697 9681.840964 9383.032134 23853.14107 25160.99962 24986.84368 22918.74611 27443.97171 24435.21503 374639.4913 362208.3542 412509.963 396091.9919 379544.4649 364574.1361 124755.8812 113742.8081 119615.6525 119733.528 123076.949 127204.4257
1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-(hydroxymethyl)cyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one 2441055.987 2442627.951 2351957.842 2402327.809 1443.176183 2357124.361 2601081.114 2638003.386 2573777.06 2614159.875 2746408.405 2608337.441 1943224.121 1992361.358 1985167.997 28023.22757 7374.00709 1982665.113 248555.4106 252886.391 190818.0955 146269.7541 208130.7421 186144.2095
1-Vinylhexyl beta-D-glucopyranoside 1643.053558 4383.376735 4174.731519 5331.137127 4304.788476 5976.117503 1219.204442 3369.680274 3403.744765 4008.448744 5404.033384 3710.804369 366.7001921 94.28221065 6802.897635 7561.555518 6161.142786 865.2285851 228.0577579 181.4726745 374.0014097 56.31890679 705.4516859 435.7189669
1-Tetracosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine 18532.14217 18968.58714 10986.29438 16948.35227 15421.28792 16040.84271 15305.53144 17163.51123 8418.129548 16052.53247 11909.92078 11732.38132 1192.467534 676.9167181 632.2861435 804.7476484 871.2102793 88.18437381 565.6364192 54.45453292 1043.140092 865.2062243 106.6744206 241.7942569
1-Salicylate glucuronide 1273014.822 1224620.075 1264629.605 1290513.442 1130143.014 1234050.28 1096281.612 1165678.998 1051574.792 1144102.436 1198087.501 1194056.63 167146.7125 158217.8511 160740.0784 164465.4039 160187.7804 157575.4205 64973.98425 57847.96425 67378.86994 63908.76611 59895.24145 68845.90153
1-Phosphatidyl-D-myo-inositol 115668.0033 116787.4315 117329.9422 118038.1625 106864.0233 102184.9939 109536.3548 100618.1989 111013.9051 134901.1035 104111.0944 130758.5444 302.9944076 407.4748396 3219.188916 764.4455389 2419.084437 617.0580025 1651.88602 2621.764765 546.5309766 310.7056352 1224.051573 162.6915736
1-Phenyl-9-thioureido-3,6-diazahomoadamantane 283.394618 262.8011816 226.4397751 244.4032897 123.4093798 1037.91704 278.7601133 341.4640185 279.0428386 869.9005325 707.2968079 683.3108199 261.4115825 284.4779681 625.847393 541.65841 569.5264296 514.1736178 9150.122492 7958.308354 9779.813712 8575.734083 7082.71987 9123.780185
1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one 263798.8082 254888.6101 250779.887 248867.2058 252698.0508 253119.9281 245249.7918 241161.0321 246760.0968 238461.1462 235524.7549 234841.9704 9687.810417 110.2267909 2601.404028 7995.926308 160.1503207 649.1233163 118.8772128 1794.549112 3108.911464 3703.721776 336.2073683 371.2064336
1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine 791.9660723 908.2931624 1223.446944 1127.167691 765.2546923 1508.0636 1516.436959 1622.993767 881.6037209 1783.131751 1716.775815 1049.382157 6442.113639 11099.37701 7202.294487 7193.588011 6262.773524 6785.467771 7030.116029 6627.53256 7464.558879 7095.473186 7406.600811 7232.321127
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine 46399.23003 37366.4384 5740.839046 30894.96897 6366.334562 12286.58679 5805.245553 12217.6392 9197.963122 17429.71117 11890.89342 10734.92318 4709.305281 1678.991168 4790.241702 4392.347141 894.2441421 1225.548376 2635.619814 1829.891624 12734.59783 9116.813193 18960.73881 15886.91566
1-Octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphoethanolamine 230.6307458 649.2764218 179.9370221 399.2835408 1502.398128 2461.44158 1516.098207 845.2630295 310.6336434 580.5598944 455.0263054 469.8522536 3097.336312 1970.863011 1115.536753 7316.607812 781.4743057 200.5480498 7495.107001 7791.019562 5495.835425 1575.964003 7000.109569 2182.065159
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate) 880849.302 796630.9916 754980.7323 765251.5972 882207.6015 811279.4569 538468.0131 371419.1729 534533.4861 559409.3764 260322.215 503048.2382 1800136.25 1695767.124 2811309.712 1755635.994 1854041.614 1563435.606 456622.5488 439410.147 470337.4174 465202.7714 413113.7151 438882.3746
1-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-4-O,6-O-digalloyl-beta-D-glucopyranose 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 65937.21996 67604.53807 67360.45391 70221.46473 65446.75698 67275.5264 18538.4825 19341.9733 14099.15434 14757.78655 16986.12942 19060.92342
1-O-(3,4-Dihydroxy-trans-cinnamoyl)-4-O,6-O-[[(aS)-4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl]biscarbonyl]-beta-D-glucopyranose 190.3731891 264.0557781 602.3793851 1759.976729 70.70282636 444.0530744 275.7504265 324.2810268 683.9356508 66.2479894 253.8657554 542.3622707 6402.532275 5692.614559 7215.059506 4201.417317 6357.156405 6521.299075 11040.31197 11146.46418 11801.8232 13667.60272 12336.9289 10641.28573
1-Nitroso-2-methyl-2-[3-(methylaminio)propyl]hydrazine-1-olate 147.4442956 122.5772493 184.468518 116.8152752 60.72972015 104.0746895 357.8473988 11.80932917 441.4672511 46.9339782 76.21589732 15.63938227 1391.513568 1624.788761 1579.217404 1889.538712 1376.942283 1273.097275 194.274794 149.5946443 346.0335225 347.5037081 50.50462637 472.0979542
1-Myristoyl-sn-glycerol 3-phosphate 370.1819058 1583.219805 535.3972767 735.2855448 508.2281302 304.1405544 4566.537559 4746.562176 5957.908166 4313.976437 3649.331887 4687.896619 6439.409552 6493.315082 6798.970663 6449.654139 7015.952968 6172.396805 8066.936092 8992.170411 9204.941335 9483.48812 8717.273904 9568.882345
1-Methyl 2-galloylgalactarate 41372.005 3984.785044 1416.992753 3345.150477 4612.167436 36275.49645 1226.27713 5429.621461 23202.93354 5503.504319 6489.909687 6141.201062 6915.683502 6663.685744 6669.03031 7097.694486 5982.599861 7438.409061 4064.177023 3964.062669 4667.755743 4432.319545 4229.259327 4467.436376
1-Linoleoyl-3-docosahexaenoyl-sn-glycerol 62.08531747 1400.45373 1526.490579 993.7633513 886.4814055 161.2359585 4246.678389 3408.761159 3314.326532 3898.52989 3025.928656 2482.668122 5899.930419 7154.598017 7810.04468 9371.442133 10342.53646 9133.126363 10345.7562 8628.257934 14226.74005 12925.4138 13499.27322 15351.77231
1-Hydroxypyrene Glucuronide 11082.11534 133.3320944 7886.389489 9908.4908 91.4451197 10361.17207 11861.79953 12694.89359 10469.7697 11776.4421 428.4771142 12144.944 467887.1527 461584.8009 462084.2273 446207.2752 404934.8495 426634.2469 582871.2995 565689.0648 586206.2577 563147.6242 558825.5627 576492.6207
1-Hydroxy-2-naphthoate 90932.13657 96773.76638 80150.53507 89580.84579 83040.20232 82654.8589 98283.91507 80931.69454 114950.8281 73492.94336 72432.67787 92796.16585 1614.631863 2256.537978 1880.771944 1613.415707 1230.182367 1411.314813 1882.18726 822.947833 700.6138294 1347.035938 865.0015839 1837.374063
1-Hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 3689.778426 3547.935478 3100.542177 3211.097991 3783.357121 3916.007527 9433.622197 8167.537237 8381.896281 7828.839547 9472.074543 9256.755231
1-Heneicosanoyl-2-docosanoyl-sn-glycerol 22826.31064 22399.91685 22288.2196 24991.68795 41571.62211 20251.70677 16517.74255 30154.65833 26576.57997 25258.38779 31087.32179 29895.90409 70.86186777 3749.530779 4852.421701 4234.51249 3202.443397 94.48234293 3271.307553 1938.955812 3112.999001 28.98888411 2423.842505 2279.800456
1-Guanidiniumyl-1-deoxy-scyllo-inositol(1+) 3213.087847 3258.683995 3058.966355 3293.626971 3351.312242 3132.752096 8288.530325 8231.414809 7568.483163 7671.746626 8889.813033 8039.912587 4169.761783 4337.499389 4037.934853 4336.305899 4966.987351 4862.06875 2617.977743 2990.879473 3151.368184 2646.26188 2952.820895 3132.598598
1-Feruloyl-5-caffeoylquinic acid 143812.8884 140545.2302 142806.7689 6543.614051 131489.5072 134344.9823 114100.9099 130906.5466 134235.0367 110093.8347 70258.64436 61804.6779 16734.13247 384.9948774 9807.784196 10251.65614 7160.251536 14876.90455 1237.867962 790.074433 954.1105277 550.0925953 657.6218887 1387.289489
1-Caffeoyl-5-feruloylquinic acid 1265771.617 1246026.571 1214875.114 1242616.281 1171994.183 1194686.916 2013905.095 2007418.915 1988541.796 1978404.401 2025348.901 1994231.327 582929.7073 518838.3928 540165.123 547239.719 536446.8717 547001.092 304269.8829 309090.4801 301261.1647 340712.9737 315155.1773 316732.4806
1-Bromo-3-(butane-1-sulfinyl)benzene 8457.962251 6652.032767 7182.659651 7475.744423 9675.846515 8779.832452 5765.561929 4718.31806 7280.062887 5730.438886 6951.369386 6574.355343 1045.028415 1970.173764 2047.654025 1425.719977 1355.749146 1564.326949 454.6666519 608.1717252 817.4876255 1051.90594 919.0580103 824.5507578
1-Amino-1-deoxy-scyllo-inositol 4-phosphate 88965.27649 84182.61211 89383.61732 85259.9261 87492.26089 85579.33678 88258.07916 88782.97462 88250.99231 82082.77399 88735.51665 80361.60089 10298.41485 8370.110726 9077.69182 7572.904179 19332.76697 8015.360905 12401.98155 22822.24459 14946.58268 13334.48176 13329.99502 13237.14836
1-18:1-lysoPE 7000.243676 6619.262739 6532.325038 5084.001715 7049.808344 7074.670323 6893.644767 7750.357037 6936.236643 6996.667982 8175.306557 7658.206671 18283.54758 18845.21333 16712.77246 5684.147861 17018.37654 15489.80679 13603.16242 14588.90295 15207.5122 15842.26271 14833.03603 15463.66712
1-(Nitroguanyl)-3,5-dimethylpyrazole 14524.10975 14752.04743 14369.02543 17645.79229 13983.21897 15532.70673 6533.844896 4391.422241 5646.840125 3954.098985 6347.517769 5581.981428 11337.89784 10167.6475 10684.84989 9863.407035 9817.379547 9594.667951 10739.16896 10675.32171 11624.50163 10757.77206 10722.29861 10689.20447
1-(6-Cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazoline]-4'-amine 439.4213395 426.4791483 229.9247939 242.8879321 479.1159773 215.3453727 554.7669067 626.9522449 622.5334405 392.8290074 339.1600002 349.156503 34.17846076 27.1879983 18.3611342 10.50789517 27.50856746 6.304732807 11.50343957 14.40130587 6.725054383 24.55533097 20.02028212 34.70922099
1-(4-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid 61.14409407 105.9485143 101.1025786 88.88442521 93.71733778 37.73499824 184.4026959 265.2121011 107.088923 53.43492868 157.0940021 282.6160901 2820.042651 2623.298049 3213.141301 2118.569501 1728.793104 1968.554396 1582.73121 884.817659 1280.835497 1130.101954 224.0661901 686.9555386
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide 11725.29122 12370.98347 13027.77722 11978.8091 13007.51746 12151.8204 14725.52798 13597.76971 9154.368098 13556.28947 20926.24831 11745.89537 11452.66337 9155.888921 12647.02748 11023.26538 8563.033236 8458.701562 29878.62574 28918.27738 30791.04933 32988.41598 27499.86854 33722.11006
1-(1Z-hexadecenyl)-glycero-3-phosphate 448.1087454 1437.931684 1357.431342 1408.256133 1817.7448 1375.979544 52.00347712 1276.753771 725.2938428 608.232255 538.9145889 579.6152015 5192.648276 5097.220312 6069.654119 8782.521911 2694.165757 4039.804139 1433.243127 6746.437374 753.9220466 2370.618811 2262.467043 1362.275748
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 123.4570525 260.1769046 152.8753775 706.2973617 410.8811479 252.4598139 116.2237423 67.51556701 440.2978862 1347.235949 100.7912429 1515.723832 17703.14278 14433.90676 12955.32291 16417.44185 17680.65442 15397.45348 14993.66139 19430.73061 15541.54788 20111.2814 17245.70291 16103.16482
1,9-Pyrazoloanthrone 738.0431487 3003.612335 4023.353225 3351.284315 1853.920959 2366.543957 21385.116 21819.96823 1362.834677 20642.43725 3132.862905 2361.159386 71065.40749 70962.22491 70074.4617 73132.41198 68123.57462 76990.27373 137876.2446 129836.1765 142159.5003 134040.7075 138748.2218 139441.068
1,8,16,17,18,21,22,23,34,35,39,39-dodecahydroxy-6,9,12,27,30,40-hexaoxaoctacyclo[34.3.1.0(3).0,(2).0(1),(2).0(1),(1).0(2),(2).0(3)(2),(3)]tetraconta-3,14,16,18,20,22,24,32,34,36-decaene-2,5,13,26,31-pentone 425.358153 1219.509692 943.386224 1148.88966 828.9250686 1755.697795 3788.844655 2780.331533 2919.460044 2208.301641 2143.340159 4400.790135 2126.252613 3915.126796 2213.108482 4592.464354 4004.42479 800.4255878 1701.840194 2413.639235 3946.943905 3367.423301 3307.092544 6902.923164
1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone 8260.741701 9446.478748 8998.695452 11335.80626 1532.134421 7647.259593 10719.49334 11745.12071 9571.202598 10033.8261 12418.3259 11232.03601 3672.204225 3370.244184 3669.148392 3569.019662 3611.20802 3181.670055 160.409712 338.9635789 441.0995532 403.5292097 533.6285154 432.2939968
1,6-bis-O-galloyl-beta-D-glucose 315156.77 329160.4364 316784.7836 351295.5277 351106.2661 354432.6577 289693.0433 283263.8748 291524.6082 296544.246 300405.6395 329492.5148 24572.0969 18122.29264 19936.48019 20491.16442 25202.30814 16659.19447 76.31601272 5250.786157 5017.579868 160.2902125 188.9315221 5250.252477
1,6-Dimethoxypyrene 272.5623936 945.6065433 47.50154974 200.9167311 246.9091823 611.8654069 244.7440795 150.4539255 89.43206673 793.600122 1947.811005 147.4944461 33192.00924 32191.11593 33502.30687 36348.29638 31271.18433 34044.52067 56049.16273 47116.36026 56214.41222 50947.45024 50667.64484 53035.30749
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone 2736.399683 2531.161631 4260.132438 5274.238708 2565.515999 2695.046822 2471.706321 2320.335973 3041.490489 3200.170679 2471.36717 2220.760295 11129.15682 11942.68022 4429.314658 11088.30708 2470.601 10390.15378 10780.87562 11566.84672 11506.87182 10737.53043 7002.960091 11740.69047
1,6-Bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol 36.39588399 22.69252683 148.8726155 271.5298331 266.9387293 102.610292 358.0848408 63.14475685 32.23006211 50.86625162 138.0189901 327.316381 7798.950502 8237.852846 7698.184438 7149.735911 6971.441444 7872.97963 12582.26893 12287.77758 12859.16682 12587.3076 12865.10203 12083.83844
1,5-Naphthalene diisocyanate 22619.68097 16869.69613 18618.38035 19299.4773 13909.65998 20545.43056 10722.83478 12657.91439 12367.44306 11750.11685 8509.85931 12234.74984 20981.5329 20903.10586 19127.93291 18368.81766 20177.17731 20462.87054 5977.906013 7305.97783 6937.537758 5230.13756 5984.157194 5133.67039
1,4-beta-D-Glucan 53205.11685 56766.78853 51560.82327 33385.65282 53579.33926 49901.79446 52382.67943 450.1241341 52107.0376 49911.21924 58188.10501 50259.04225 298412.9564 283641.3831 282459.5778 290040.1736 285429.9037 287321.8886 116483.1424 104935.8854 120035.2574 119134.7318 114369.9232 112906.8303
1,4-Dimethoxyglucobrassicin 143303.763 134646.093 133859.0879 136326.254 128155.7453 125722.8472 140991.9811 132286.4606 128869.0847 139102.6379 154044.484 140664.7845 7162.329951 1853.434778 1828.682506 2111.157338 1504.424104 2915.28441 4995.765876 1373.558092 1399.084696 1606.848217 1585.499385 6296.611427
1,4-Dihydroxy-6-naphthoic acid 15879.41241 14956.21287 17057.12921 14269.46028 14166.71884 14423.52223 3352.773833 4310.162191 3092.530741 5825.055621 4284.831794 3231.6555 4449.292089 7810.842686 4458.500633 4082.012592 4102.901509 3672.28821 6466.136606 6968.637297 7190.567614 7006.755011 6994.670824 10554.76973
1,4-Dihydroxy-2-naphthoic acid 17267.22557 42909.23333 39775.27866 18893.76211 40507.84053 38969.4862 17717.79621 18196.38194 16447.43462 16507.22128 18517.41916 17085.75398 3391.765307 1779.195629 1189.707303 2380.138001 1332.179915 2479.120672 2273.072813 2279.224348 3975.756316 3027.13332 3334.695081 1941.347854
1,4,3'',4'',6''-penta-O-acetyl-6-O-p-coumaroylsucrose 630.2029716 343.7654014 429.4887415 581.2482391 190.7900634 430.0232668 12386.08575 12678.05998 12948.13449 13676.96293 12695.53718 11496.94535 2731.19099 2409.073923 4174.955731 2620.291958 911.9900727 3232.408954 398.5806626 941.0918368 170.3537022 355.5322034 418.3635296 349.1276521
1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone 5964.471421 5393.460359 4773.853219 7757.546814 3938.301394 4996.165021 11945.45513 15411.25905 24832.21717 11814.84519 16072.77876 10002.74381 20117.93021 17371.95222 1567.971398 17589.56581 13886.49978 35921.63517 30149.06268 43199.47587 15689.19441 21743.65021 27051.89815 45941.38205
1,3,6-Tri(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol 11101.80228 11894.78033 11719.89985 11781.44044 11739.48403 11860.81313 13485.02061 14274.31322 14139.94108 13282.48492 12720.92174 13592.83205 46339.42763 47511.18717 47339.64945 49350.31359 45994.73955 47279.96401 35419.74423 34367.07536 36521.84371 36001.84946 35286.88126 36440.37035
1,3,5-Trihydroxy-10-methylacridone 5982.445078 7157.221276 6890.396841 8679.858121 5940.736522 5949.152008 5079.371453 6628.826956 7623.153473 7110.037153 8357.096904 7651.34436 13390.17538 21188.4004 17781.1451 16757.64432 19310.02569 19691.38594 14053.74008 19399.10903 20596.14256 18296.35706 19748.25056 19321.36144
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid 31556.1501 30460.16661 26316.23748 32201.96962 33206.83358 30079.1157 10316.36599 25525.43625 5749.861616 25314.37334 24497.92059 23317.1704 23953.73353 24846.01026 26631.88443 34787.70558 26189.94943 21009.06236 27352.22345 27507.47155 27733.97949 30719.17926 26173.89614 52159.86517
1,2-di-(13Z-docosenoyl)-sn-glycerol 304.8375875 817.8222497 89.07901186 866.4821587 138.5389362 48.95407701 1531.500805 1778.061983 1676.471153 1795.015378 1145.380726 991.9810519 3954.680826 7474.598628 6434.61806 6052.433149 4769.748768 6690.224797 243.137058 376.5029059 341.6775822 675.9152976 774.9620439 845.6203207
1,2-Dimethylimidazole 87.39104187 251.3762133 356.9571241 88.67662459 100.1869824 1065.45348 300.5606961 64.75250984 227.8552311 115.1638171 221.8938249 235.4907759 15423.51815 14493.12617 15570.37084 16029.71638 15322.11537 16424.16032 7161.053679 7117.598865 7698.368429 7166.794664 6551.758103 6894.102552
1,2,6-Trigalloylglucose 111087.9238 102995.6323 108301.6953 100714.5715 105003.6796 100126.0868 98685.23478 101235.4559 103990.956 100148.132 87520.62176 90790.25397 307.0813469 168.7460593 556.6752028 2308.059064 1264.720641 2575.064977 226.9727183 132.2148752 27.07355665 1833.064356 2735.279316 389.4154875
1,1,1,2,2-Pentafluoro-7-phenylheptan-3-one 37908.05793 33492.98649 32424.13262 38907.39983 30607.69525 38119.94885 45315.66089 57227.96183 40373.08214 52653.10021 49624.07819 47943.95401 1702.560566 2496.034957 2851.10403 2588.206006 1762.237859 4424.674492 2869.858175 767.8481618 3696.186855 9095.176748 8126.157993 3677.336331
1,1'-(1,8-Dioxo-1,8-octanediyl)bis[glycyl-glycine 36864.19448 37330.45337 40202.60365 40667.13456 48246.25822 61737.09656 53048.51663 38930.23623 35248.82706 60679.17188 50060.10324 53406.00589 8004.723416 7343.012325 7206.433472 8609.560157 10841.94776 8225.030467 18755.79131 19216.53823 20614.05219 26480.76762 18393.75781 18725.91843
({7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-4,22,27-trioxo-3,23,26-trioxahexacyclo[13.10.3.1(2),.0,(1).0(1)(1),(2).0(1),(2)(1)]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaen-24-yl}methoxy)sulfonic acid 21054.971 17983.24816 16595.22731 15190.1473 17282.53245 13839.82571 11283.28339 12928.63109 16821.06314 17910.43034 11857.50489 14940.77884 543.773882 495.9651598 762.0947682 622.6601434 921.810391 313.7606797 332.5328446 569.9767623 245.2384595 205.7525575 768.6470786 515.7966599
({6-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 43212.86241 40053.88847 35736.77093 40971.53898 36232.17839 37785.04362 37905.22742 39078.66053 27676.7527 42376.03602 21891.76448 34352.15003 28494.31471 17015.88583 20537.82249 27269.48483 13845.20816 24375.49083 15448.00262 9515.860326 15000.01525 20671.56907 11992.90831 12633.00851
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 277437.0497 584335.5181 617892.304 536664.3004 711948.7977 538695.3026 682904.3537 689595.0017 695755.9673 709132.6786 736124.4009 729816.5056 975.009276 27038.75228 675.2578681 326.9931168 22009.06182 324.8999983 426.5897347 191.7798461 14969.34965 14487.09186 16059.03229 15367.07493
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 173349.6632 166010.3188 17794.97875 186961.0371 270659.205 158383.4848 32457.10005 96365.25541 32116.39156 112233.7826 93404.60355 32547.64676 24248.15566 24861.3054 24771.5444 25823.66998 24067.78981 24740.31264 18534.18386 17983.35102 19110.88239 18838.78361 18464.6603 19068.24961
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 138489.3302 190402.2684 19828.88971 93031.95787 33661.63021 94411.52603 47235.08189 174790.2875 99192.01649 220731.529 153198.6792 65457.21033 210979.6427 148651.1806 157625.5909 218568.7244 51069.65946 211295.6017 84473.52544 25920.0549 100808.9246 95847.00877 137615.4663 107494.1351
({6-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 15929.42235 14584.38316 12196.65485 12823.99837 12356.18226 10160.43634 12730.69149 10902.13308 11962.1595 13949.09555 10820.23303 10292.64007 18748.03697 21211.37761 19970.29355 21649.99517 22785.41994 22068.75128 19387.64029 18526.11958 16891.04408 16631.74615 17929.5455 19705.70689
({6-[3-(4-hydroxyphenyl)-3-oxopropyl]-5-methoxy-2-methyl-2H-chromen-2-yl}methoxy)sulfonic acid 848.6673146 1635.321537 289.2246946 341.490461 186.1012505 317.2613602 1511.322145 1362.129271 3109.043295 40.29124137 200.3298059 141.5852864 64088.35029 69165.38099 60612.93993 42061.46933 61832.72987 65711.35234 17187.64156 28931.8281 19657.49945 16628.31237 13690.45656 30269.95758
({6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 528014.7284 527784.9015 523727.8159 534395.5996 477191.7117 488102.5113 528788.3707 511043.3159 488853.6738 509171.1182 537498.3995 521251.0915 7851.931685 8655.207233 7867.621129 20574.52267 8275.383872 8737.706514 12212.8634 9643.502672 212.296855 208.1251696 11691.87811 190.0394296
({6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 53008.24976 56730.38847 63555.40437 62639.73655 53788.17672 60180.48376 46045.78656 41393.15763 46026.34014 47850.97247 50605.77255 27311.43185 4048.584411 4992.338311 1851.270621 2913.24072 2403.803578 1475.028633 3550.084586 3637.820471 493.5930614 1941.07018 1948.495392 1648.750437
({6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 8.409858498 30.50502418 12.46523054 52.6483305 4.86883333 34.32100203 33.98601679 46.03259664 2.153293171 16.36315185 19.91004686 13.97248498 66.76393638 148.8999039 117.258472 157.7165123 34.72766559 103.2501163 50.34570961 17.77658751 2.94282961 18.78150964 3.014608635 12.22757699
({6-[(E)-2-methoxyethenyl]-2-oxo-2H-chromen-7-yl}methoxy)sulfonic acid 127503.1435 133719.1681 97358.7955 8910.418721 6238.951327 139320.6359 159010.8655 161354.1833 131437.6778 77542.95654 201231.5497 174048.3118 2862.544973 4386.810668 3722.083654 3765.641077 3409.453025 3455.874695 923.9739373 1173.425423 976.3665313 1153.274472 1081.439543 1134.447089
({6-[(2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 887.800795 7230.157568 957.0019814 6716.967952 7682.145993 6923.279145 9374.023275 9070.731549 10105.07995 11295.95711 6446.939384 11098.18878
({3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxan-2-yl}methoxy)sulfonic acid 83597.23324 62690.73491 72364.702 75720.27192 72867.57247 83154.74423 51014.93875 46142.64921 35590.45054 40416.51099 42000.23923 36915.56805 142611.6475 142457.7634 142254.0445 154530.0072 141071.0487 129706.0547 94650.6137 87657.68476 89498.94972 99904.69871 88240.39672 90841.67247
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid 78889.57261 84562.6725 84989.52583 91404.41326 80458.11042 77981.26915 87483.73699 77989.53435 68383.31703 69484.11162 80868.06724 69742.94622 177.4492896 167.7896835 1570.924446 3409.4374 2017.044988 1044.485659 141.4939235 531.6306459 425.6058767 751.3172404 940.1939023 1289.191353
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid 203369.2319 216142.6996 222889.1404 214245.7872 206058.535 209525.7538 334884.4379 331070.0864 315891.1013 313046.9574 330660.1004 309687.7574 319.6887663 139.2646687 20991.05619 95.53785287 20419.57931 91.86331145 10946.55355 10325.8512 297.8207609 185.3800543 228.0047556 143.8580787
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid 4618.246056 6469.711787 2567.883995 3581.156957 1060.422448 3339.948661 10167.35711 24142.61531 5065.045586 1081.270484 6144.899813 5463.26773 47039.42797 42884.31676 42102.94501 47128.13004 40757.48515 42100.87251 19691.02151 19236.62928 20722.8526 21229.28009 19432.8467 22839.53514
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid 44001.38713 74523.8095 28081.81056 40147.59651 41034.70746 46670.43224 432993.942 425259.9558 388439.1407 326105.2485 314908.6748 260521.9046 360056.8656 348565.0037 332749.5599 267120.9384 216837.5585 262314.5424 159398.954 150698.8624 188442.5232 144696.4565 153408.1811 152873.5679
(indol-3-yl)acetyl-L-phenylalanine 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 5392.442378 5459.458672 5717.257547 6663.4499 4963.068412 5136.360966 14149.41718 16995.56188 13737.7433 14646.33404 14753.07961 12979.26014
(Z)-Resveratrol 3,4'-diglucoside 51563.74183 45749.14441 48344.29948 51022.45936 48934.35078 46346.34299 42057.49583 40882.73624 41610.64402 41683.78889 38657.96021 37372.97522 249548.5402 245590.5 239648.952 254637.1768 233613.4406 256612.6993 278453.2827 184333.4882 301035.3215 280093.7405 280132.8544 293112.2567
(Z)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-phenylbut-3-enoate 9401.577385 8461.286619 8552.714795 7702.925483 6863.317954 5597.669221 5185.042488 4376.760508 8858.506638 3871.28003 5217.278952 6592.521489 631.2907834 782.8346905 892.012424 1169.844485 524.2376948 508.6006263 348.4635733 114.3183564 288.9921673 258.0657456 163.8990651 61.67537835
(S)-dibutyl(3-hydroxybutyl)phosphate 234.1353311 296.8497597 190.4665887 161.2111411 42.99388036 149.1777246 200.9459605 264.099484 121.085672 316.4832728 257.2577547 236.006672 2442.348201 2280.383525 2686.495791 2353.890074 1616.524784 2383.333977 4205.670453 3025.241185 2534.02419 3363.296945 3478.675809 5660.723613
(S)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol 1746.982674 590.5451589 331.2202049 578.8305034 1047.064227 1867.412406 308.4969086 117.6037074 233.1396747 325.2471253 799.7342009 951.9776958 14579.65923 15355.12967 14629.81503 15192.85865 14151.52883 15705.5114 11586.24629 11020.33728 14358.33226 11354.98696 12050.53716 12182.23276
(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid 26646.11031 51101.28481 21446.22941 81858.1626 49033.15352 61840.39069 39691.35276 66377.94104 33054.65373 40437.80655 57950.0861 57159.36691 34894.11729 26257.8715 26137.51892 11450.77624 15384.02024 20410.83782 6128.539223 42687.46014 42948.22987 49552.19756 12656.54382 40035.41313
(S)-3-Hydroxydecanoyl-CoA 62013.69165 57992.24155 53432.29912 55004.59006 53859.07478 54472.89363 62300.11693 75353.26246 48550.85931 55674.37885 76984.76019 73624.65833 267.6573021 871.9143533 1563.690025 1255.156386 3563.543442 589.7090446 727.8484475 903.1399202 2917.576881 2214.898389 2436.224621 959.5863779
(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone 37010.16164 38724.68078 40772.726 42770.65235 42395.53006 39455.43661 35956.62849 38936.00611 38572.77945 39248.71229 37490.93585 42926.13589 427.3302775 379.0435483 398.4888052 456.9917828 84.19449645 278.6785256 134.9341562 631.6786648 807.1939393 156.6802048 227.9392924 425.7390603
(S)-1-(sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 347.3989217 661.7523782 395.3240537 714.2845692 901.5369301 928.9257586 1706.031187 1972.153855 2718.9372 1996.281621 1278.559527 1555.702974
(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate 14854.11996 14628.52568 616.0000341 19547.58687 917.6351897 15592.86605 7354.981042 10028.30067 9224.780255 6621.455756 10813.54956 10120.12652 18.80112917 10.929078 3.8942583 875.2559615 7.909832882 7.389466257 3.477172008 5.349962351 1.393738657 1.403999586 1.817800707 2.255839333
(R,S)-N-Nitrosoanatabine N-beta-D-glucuronide 231.12197 44.41301736 148.7812976 647.7357497 326.3536548 149.8432742 479.8799743 114.0610934 563.4450812 653.1887184 598.7051922 935.8723825 1653.902523 2001.604295 1619.032481 944.4776414 1558.425301 2846.464113 3692.798147 2742.802787 3440.619462 3678.846635 3450.354033 4185.574053
(R)-phenyllactoyl-CoA 47.22904722 31.18367253 45.00953372 35.78640138 104.7689988 104.743476 22.56516845 63.43785614 16.92598856 41.26167983 41.90064404 21.15754897 275.6176322 271.4465477 237.5085052 797.3061099 246.393929 263.0585794 119.3967547 166.0558109 74.10314831 208.8745795 39.28393938 130.433851
(R)-lipoyl-AMP(1-) 77.34979001 58.94039252 37.37045961 26.61430389 26.23751938 46.5613241 69.52234117 14.26395023 18.17769668 65.14465691 6.743922742 142.116578 399.0715087 476.8273649 434.3842851 322.9098931 318.2993595 521.6215234 2997.2937 2787.381099 2512.115763 2688.084435 2703.715595 2896.769719
(R)-lipoyl-AMP 7817.613172 10363.0353 8075.027327 7255.687746 7935.521111 6785.080994 5261.433693 3439.565798 4426.408226 3788.999934 5291.535182 3787.585464 484.5493113 508.4561553 634.9656483 850.3981164 759.2706423 589.289881 336.3424337 536.5958566 429.2308857 772.9413236 859.5113442 643.4958244
(R)-3-hydroxyoctanoyl-CoA(4-) 23393.2205 18613.19395 13128.20117 18781.90545 19794.096 18112.80369 11102.33413 12393.3247 12928.46992 6633.300514 12262.91667 11582.84589 674.0948196 431.419733 641.9325481 1152.255029 1344.746396 210.0390817 83.03118502 708.1108763 342.4634099 1763.67531 1008.118618 940.7989831
(L-cysteinyl)adenylate 438.375099 365.4736567 590.7705521 306.6431194 223.1545317 495.3949064 98.76048736 106.4478178 355.9040013 493.9374378 1346.445677 744.262534 9395.555641 10044.17629 12473.11543 11052.56564 10530.34784 19362.86593 5109.058555 14146.37565 7299.161291 8681.107939 10386.16401 8358.216579
(L-Prolyl)adenylate 14744.69663 6721.102078 574.6065221 3622.771075 4780.879541 16658.91924 50468.60601 63490.08802 40598.43428 70108.31255 56314.46301 56852.25859 26088.95563 25929.12468 36191.60102 26296.76221 32714.88806 26234.48074 490.3890274 338.032166 674.5757878 3395.111392 895.816427 692.1432107
(E,9E)-14-bromo-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec-4-en-13-ynamide 22028.84868 25874.04612 25330.91671 24395.93627 22783.07637 23614.93198 22052.262 21941.72439 21828.94815 24251.68382 23237.23443 21686.55762 41.97594361 335.1592152 441.8842284 499.489036 110.3397686 232.2712692 696.6340875 699.8424432 254.1466821 780.1308881 1518.083025 960.6695135
(E)-Antibiotic BE 23372M 4563.286035 5239.161769 25946.37593 9930.424922 6013.947925 21440.79919 11883.43629 20502.81246 22297.01584 32793.36013 44977.21878 33012.0134 146671.6956 142097.5471 144359.889 140091.8739 128024.3745 133648.6743 173830.0279 169162.2626 173454.4103 178636.6695 165132.633 200277.834
(E)-4-methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamide 4282.046982 3151.094332 4002.663965 3406.285935 4458.883683 4078.438062 3009.251043 2665.200181 4002.350917 3598.550974 2970.738345 5633.921018 7178.642328 7312.503832 7072.550242 5863.794746 7464.123297 7735.133055 11408.8894 10155.26129 11372.19898 11285.54187 11137.2575 11878.14839
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid 3919.06405 3077.731546 2059.75099 2537.084184 3305.690957 2709.843049 2641.874455 4299.629661 4988.614537 2915.357591 4317.425784 2913.601471 1993.436713 2245.321537 1164.580183 926.7411169 362.6522508 851.9551727 1015.830636 1285.486468 1063.773438 493.2914058 421.4906442 535.6665632
(E)-1-Propenyl sec-butyl disulfide 355.4364219 15.47234279 104.3988176 30.10844886 85.51581666 220.4414147 35.96276179 142.4889223 220.3797677 186.7139416 184.2288862 145.6611724 552.7189525 516.3384896 1327.485121 526.4768827 341.4364044 343.8415884 5661.754824 6080.864934 5415.726805 8001.412302 5587.201364 8353.808263
(9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid 633.4400213 55.98511245 439.7263426 60.94588168 222.7901204 307.6714099 435.1347852 317.812833 463.7097126 903.7608404 126.9704745 743.7217894 6745.745358 7388.078875 6045.632264 7302.207161 6988.633225 6671.023952 13396.80528 12081.4974 13708.75931 13697.55656 12938.9521 14220.31461
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid 1919.640927 1750.677714 1824.506743 577.1306253 1480.534237 1676.2158 1881.565952 1757.755554 1534.210514 1618.921878 2074.775148 1824.516806 9594.807419 10159.45014 8627.498808 8251.586298 11180.96698 9983.088724 49711.85899 49568.53492 58137.80288 54339.85289 53647.65368 63313.29256
(9.Xi.,17alpha,22S)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 3422.897219 5687.570931 2739.900921 1891.833134 3608.457085 4069.6844 9491.419607 13013.00646 12343.62338 12993.30556 7783.742536 11134.94282
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic Acid 13981.21997 14715.95792 18703.39182 19643.16871 16601.47318 16100.72875 19171.81027 17114.30153 16698.02792 16730.61126 20232.03674 20024.43815 14025.55401 16091.6394 15457.59053 17208.2824 16712.14654 11821.28643 14840.80108 13370.37168 13145.11215 13549.95225 11671.46105 11976.99505
(7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside 318.8798321 975.0273962 1219.830392 92.82519183 418.4415695 614.0992963 372.7564551 550.0400598 291.578961 635.010747 135.9612727 204.3957403 12734.62552 13009.80685 13711.04274 11950.79927 12904.86317 12736.31948 13630.98722 12723.52026 10609.87587 14935.39726 13397.38341 14909.7893
(7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-11,13,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-2-olate 165.5219078 135.2608146 55.85494542 285.789709 197.1473744 23.54834786 126.5468484 236.6216061 129.9592935 211.6626647 182.7899523 167.386803 1245.757457 1011.932294 1212.910189 975.3575627 1051.264554 1078.809409 492.5367523 513.3544576 251.6340958 601.0402607 424.5624433 307.6986421
(7E,7'R,8'R)-e-Viniferin 3',5'-diglucoside 194068.9018 192794.4839 179830.9282 189708.8006 186155.6056 182867.7254 180412.467 179446.1153 167676.4668 155364.144 143028.5751 146182.2901 60255.94349 60640.76129 24265.34237 28036.72457 756.1881204 66335.7256 10570.68295 13096.73376 13599.49137 9020.765121 13671.20672 13950.73682
(6aR,12aS)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one 456.7701094 364.9264929 2214.123099 722.1786593 803.1515555 349.6791452 1661.575581 2765.102671 2504.113153 2953.772281 1574.865546 2425.672069 5679.169929 1898.927113 3055.661221 2538.44834 1449.688455 1501.097382 9816.499722 8755.746374 9519.725178 10034.479 10275.58496 9714.675582
(6R,7R)-7-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2179.492937 2013.854148 1963.065593 2584.92041 1551.903355 2525.315844 885.6074549 761.4809911 2198.012015 1295.627534 692.7409751 1922.27565 55207.02415 53120.95001 51876.49839 54412.42322 52145.25065 55469.98405 8167.531207 7197.713888 8458.594009 10077.8734 8665.320124 9004.669732
(6R)-6-[(3S,10S,13R,14R,15R,17R)-12-acetyloxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid 1509.290172 1353.491049 1176.157046 1217.718646 988.4103154 1047.583269 513.7526167 968.9224642 557.1818164 517.7401015 584.4196604 536.30097 5838.579492 5878.174678 5961.497337 5735.071963 4635.881977 5193.141188 1327.765447 543.221382 1806.48492 522.8473412 1606.307568 1217.631589
(6E,8E,10S,11R,12E)-13-bromo-10,11-dichloro-7,11-dimethyl-3-methylene-4-oxotrideca-6,8,12-trienoic acid 344.9295273 277.0287242 2404.48634 2202.973869 1238.532379 1358.546061 2918.765467 248.8903578 1963.970929 1589.339073 1835.740186 264.6079798 1902.077031 2583.238021 2311.594647 2629.11675 2652.600891 2127.77468 3269.16657 4252.860081 4667.954536 3954.553181 3618.509165 4055.257719
(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt 154.627917 110.8791467 70.26400593 12.29309982 56.88572088 308.4117392 579.5795343 285.1649872 565.6788573 110.7577391 242.1256195 408.1627355 7337.389113 6801.488259 6586.084127 7163.872645 7446.833594 6021.720968 10710.52769 10170.03838 9755.473679 11055.13926 11317.59682 9271.126229
(5Z)-1-phenyl-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 1102.030112 780.6629046 1086.857226 1165.669024 976.3589606 886.4946204 603.105995 488.6828887 272.7477617 538.783934 104.1056937 358.3234838 7737.249948 6882.927224 5767.278863 6766.012925 7227.906486 8327.88178 8787.778315 9091.811275 10085.46707 10675.67044 9508.304508 10016.80238
(5R,6E)-3-[(E)-2-acetamidoethenyl]sulfinyl-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 3542.59823 1581441.118 1522679.196 1554517.708 1467079.02 1526359.214 1684048.678 1710182.417 1666917.053 1692768.338 1779188.153 1700005.008 8843.990004 2958.24331 7306.343868 8739.419606 1248751.13 1283644.806 18656.50969 19157.85975 20661.53185 977445.4786 958025.2796 1605.203137
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxofuran-2-olate 3790.418808 2226.672443 3465.568326 4609.720777 3946.033792 3111.846387 2285.414888 1691.023121 1692.467983 1900.812235 1778.013334 2053.22373 1650.252871 1561.407844 2260.637915 898.0244268 1672.674203 1987.361718 241.4908068 762.024771 212.0345748 292.2661197 464.5354084 835.8563994
(5-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl)oxidanesulfonic acid 33902.45389 27544.87725 34809.24152 36079.3977 32366.40114 30432.02589 36607.9392 43823.54727 49906.07228 43922.61427 48150.57019 35906.63112 139788.8887 135586.6774 128085.3568 125867.3837 118714.7471 118698.0137 142784.2856 144030.704 141507.1972 137158.3756 139183.9841 137780.4204
(5-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 181666.7709 179524.2354 179659.4844 176473.6013 209353.0607 183364.8339 53559.65279 45430.77228 22683.8234 50674.6886 37338.47937 109971.0645 36.39127903 5374.491846 6852.511956 5296.023566 6839.549857 5052.477933 3900.445841 5369.59718 4687.138659 6511.889026 3607.726372 5268.545268
(5-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 116581.1424 100083.2085 120896.6846 138322.2924 105830.3333 132230.7651 55334.57133 62747.06856 44231.53638 57604.64623 70812.60708 61349.46054 8487.254562 7959.827959 9281.337948 11878.18772 10073.18274 11330.99043 661.3761699 114.9418446 200.9169572 375.1786543 355.8955089 111.8609896
(5-{8-[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 964.9658048 573.7118776 422.9590446 305.049101 87.92696008 266.1407852 346.823593 551.1424887 552.4892346 598.1200244 148.565807 482.0790068 14009.90264 12593.67573 13753.59901 13213.07847 14974.26331 12537.1599 11957.25103 10105.38197 11776.62481 12026.81471 9970.609632 12185.27226
(5-{6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 126167.1146 129558.8714 126054.0718 114406.8404 121157.0883 113549.4548 104690.3121 107639.3362 135267.3784 106099.6725 93189.97594 106922.5319 1480.404017 4422.060937 4045.566985 291.6610605 232.364168 569.308625 3996.79346 5344.597402 432.2273284 371.1056416 5040.020278 372.1118341
(5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 32601.15789 37471.86163 31905.05622 39332.87953 35899.22219 37469.41774 44184.35252 44950.13684 30038.69116 44259.05579 45886.06147 22300.35336 28905.84542 34269.08073 28277.9677 17493.12505 36099.73673 33313.56593 30341.70788 20936.79784 28602.12673 26880.06752 22348.21656 23213.94469
(5-{5,7-dihydroxy-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-methoxyphenyl)oxidanesulfonic acid 5820.253054 5861.126562 3415.445709 2586.267439 5412.540815 4801.271665 1170.425028 4438.979353 3692.967415 1549.305111 4548.488095 1884.134891 237.0885767 179.0704988 503.6035723 645.8073062 121.0260125 153.8345878 202.0447244 335.8479518 113.4224593 447.9624686 341.0171004 130.4392571
(5-{5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 23133.23045 20657.20599 19804.88457 19275.16257 19513.05202 18862.21685 14106.52838 13387.92846 16899.72289 14861.81002 12370.82241 13423.14872 33778.93688 27589.53726 25427.24571 23106.64399 23776.45305 22679.06105 6570.899497 8062.913312 8392.000465 8057.403128 7706.274104 7871.950432
(5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 51016.29761 63124.3014 57575.13067 57929.48378 53965.43578 52572.97844 54457.00905 56101.27149 50243.41648 46718.89073 59662.29314 51862.56376 7913.700407 3861.453448 2685.337836 2531.766249 705.4742261 3662.00374 709.6870755 1028.454127 2780.215737 420.6760385 916.3079252 1079.554678
(5-Oxo-1,7-diphenylheptan-2-yl) hydrogen sulate 7707.392067 6116.703184 6739.799136 7588.084723 4501.935592 6448.112202 3519.763988 2808.062402 1816.557491 1958.294073 4844.29723 2792.386166 496.7629296 536.7646166 165.2273402 228.2252733 360.8396976 158.5639404 564.9303483 613.1213843 506.6031445 536.699532 679.4380242 429.9530944
(4S,4aS,5aR,6S,11aS,12aR)-4-(dimethylamino)-3,6,10,11a,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide 29241.8129 30862.343 28282.69225 30006.13494 28400.93298 5338.459383 120309.1009 2536.899119 851.5241088 1106.446935 4248.040198 120644.7314 89880.91362 92153.6827 91820.9646 95720.8904 89212.34948 91705.19747 68700.86954 66659.09118 70838.52452 69829.9329 3194.023091 70680.49709
(4S,10aS)-3-(Ethoxymethyl)-4beta,6beta,10alpha-triacetoxy-6,9alpha-dimethyl-6aalpha,9-dihydroxy-4,5,6,6a,7,8,9,10-octahydro-2H-naphtho[8a,1-b]furan-2-one 2919738.575 2921618.796 2813168.594 2873415.936 2710302.526 2819348.249 3111144.073 3155306.674 3078485.789 3126787.534 3284969.54 3119823.34 2324283.612 2383056.493 2374452.536 2475303.02 2306994.818 2371458.846 521310.8469 571254.4447 548043.6372 589289.8503 605134.6711 551682.3367
(4S)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one 228.9575696 2636.559985 320.9314124 1686.98488 1637.878586 1473.330024 826.1746255 2080.864133 370.5074088 494.7591341 434.4518883 2458.115742 1915.105908 4139.509702 2520.358844 2268.679878 4774.592631 3349.05458 15827.01283 12668.01366 12137.02307 14106.72702 7892.116676 13498.48422
(4S)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium 452.616005 349.9970656 87.8857247 299.4917952 132.6833012 265.9577243 2733.100357 2015.611494 1786.422905 1010.275071 2451.090667 2444.764882 178.2733565 184.1798382 122.3006649 458.1386363 510.0923621 218.4128359 118.8149939 118.9327352 483.1723324 118.4327186 223.2165401 22.22155915
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium 8976.677443 5776.958603 7235.501071 5638.773927 9809.517036 7192.292633 4459.015079 4098.366789 5464.711436 2129.173513 470.9391814 627.1168431 91118.25328 86366.79621 97698.72106 98277.02361 90684.48611 109212.5973 92316.67667 84688.55407 92777.15324 81207.99665 84646.51501 88396.9652
(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-7-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl)oxidanesulfonic acid 117518.4569 145297.6674 152070.4445 129411.0361 140095.8922 112361.7539 201828.3313 234551.1281 176863.7098 212556.4862 217728.1251 197836.6431 4503.336926 177.0800631 1949.362212 2006.316655 3394.334826 5697.442271 91.03404944 1289.525914 101.945621 116.5983945 369.4697638 483.384536
(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl}-7-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl)oxidanesulfonic acid 212.3488535 355.4041441 128.1448799 318.2969607 139.8285697 300.8939147 295.9208851 197.3948424 373.487371 134.361311 365.6486672 349.927792 1161.111393 2994.21058 2534.01053 2960.4813 4314.707993 4107.268418 159.5457198 659.3445759 457.0553761 452.6942851 441.3138021 413.8935544
(4-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 76242.55979 124633.6804 7684.754075 20941.22348 66514.14456 119273.745 183313.9307 84852.3188 103000.1161 77394.20362 51165.85948 80799.74158 10066.48885 11715.94499 13351.19085 12951.12744 7270.028304 12890.13454 5071.906305 7552.121963 6683.538215 5896.507423 6759.788525 5187.990771
(4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid 61157.61032 63368.04011 64595.28999 72951.98438 58987.39819 59919.46968 100519.5135 104327.5268 104595.2132 97548.9344 102354.0858 101647.6476 31750.62043 39432.42555 39532.14499 39060.9736 31123.39154 38670.83256 17818.42461 22924.2371 25059.44645 19248.02811 23560.28903 20866.04564
(4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid 77278.9305 80813.89619 72096.87156 75423.24528 70704.66223 71785.62725 59102.15161 56120.9033 61030.20971 61965.23759 59859.91331 62177.03936 1749.094889 3665.193186 2052.010926 4331.910627 27.55503768 2308.414966 1690.362593 2434.829883 1408.006009 1603.040971 1947.947583 1428.179817
(4-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}phenyl)oxidanesulfonic acid 1834.292163 999.6128785 2217.434492 2323.091371 2952.975666 977.5859394 201.601867 177.8489698 124.2804165 214.6714321 160.6549427 158.5183798 217.743176 121.8954433 61.93372466 184.706349 153.0517139 112.254699 125.5228758 34.33740204 83.71000286 39.35616095 73.29381843 31.30616579
(4,8-Dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-14-yl) hydrogen sulate 2922.674566 4135.139888 3281.3402 3127.737487 3110.009143 3046.002772 58.83808265 76.74906566 97.47705096 71.71295275 75.09678111 37.503304 2.372750063 15.5879992 60.30128066 20.82416939 10.35196013 44.16066466 36.91241472 4.403963575 2.56296209 2.066038044 13.16525019 9.50668263
(3b,24x)-Cycloartane-3-oxo-24,25-diol 10.58405105 1605.803622 346.1097313 1188.875346 3395.098705 2995.784284 4525.818036 4726.855243 3538.980976 3742.824051 3688.888578 2296.001449 3476.020409 48.68654989 1820.950982 21.16809544 1.53216801 359.1854735 8.467221316 108.6646159 2.116806574 454.6256332 355.9419882 194.1783074
(3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-bismethylene-8alpha,9beta-dihydroxy-9-(chloromethyl)-4beta-[[(R)-3-chloro-2-hydroxy-2-methylpropanoyl]oxy]azuleno[4,5-b]furan-2(3H)-one 2774.793522 5715.668323 261.2014566 2074.228497 689.026214 2095.892527 1766.286742 91.22385795 2243.984673 2090.59663 802.4714883 7878.921959 4881.761517 20388.47648 7447.577347 10768.69185 14972.91308 12706.00362 2320.305159 8061.906101 11114.30708 6064.298393 4172.079183 12938.2529
(3S)-3,8,9-trihydroxy-6-methoxy-3-methyl-10-[(2S)-2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-2,4-dihydroanthracen-1-one 13075.63227 13790.28147 13081.76037 14459.59739 15362.07912 14358.36212 14921.18764 16533.52395 14848.25372 13638.81675 13181.78949 12844.14722 5769.637352 5514.196962 6130.066386 5082.899777 5048.847413 6702.206242 3597.707157 927.6711972 1928.603402 3286.890285 2213.196886 1738.497138
(3R)-hydroxy-undecanoyl-CoA 4804.098832 15387.20848 3725.436375 4765.152229 3906.327704 12545.15838 1176.842827 1282.81108 1522.721216 1571.216 1168.360732 1851.688633 1117.950706 365.216165 2012.88506 466.6729318 309.4642104 629.5289971 1374.751668 1079.539899 1167.69226 849.9222478 1506.478416 1278.200963
(3R)-7-[[4-[[(1S)-4-[2-[4-[[5-(azaniumylmethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxylato-4-oxobutyl]amino]-1-carboxylato-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylate 1476.472553 2047.691719 1783.717566 2001.064072 2045.673231 1073.331344 1182.529118 1465.029285 1056.11252 1686.607148 1444.695363 2139.359274 23025.5455 24214.53939 22522.08532 22964.76452 22920.84718 24252.19618 25694.35581 27514.35091 26269.07064 23115.11466 24265.00867 22498.90138
(3R)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid 29912.43012 27668.3705 26842.90112 26928.05146 25681.58897 23864.02573 29743.73283 29733.53721 29300.58056 27125.89599 26212.30675 27050.38956 7211.964681 22054.93001 24377.83288 21241.78713 21889.29475 20939.7443 36028.5405 33115.1311 34481.77166 35211.94159 35980.92647 35483.08068
(31R)-8,12-diethylbacteriochlorophyllide c 2854.781892 3480.203162 7670.524987 4210.27234 2342.136085 2614.514858 3562.631747 3067.689722 3621.642863 5944.098921 3189.711663 3417.738643 86.38827546 98.26686251 504.3889862 39.59473216 520.552659 186.4550313 341.2533156 142.7812687 424.5839773 60.8318103 387.0622 61.55193501
(3-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 2049.314961 2862.678086 2808.060522 1537.330062 2100.457822 1583.489544 1264.874169 421.6647161 1453.286351 291.0119113 89.99662509 80.40181379 314.7545181 149.2141551 432.7221721 592.1183914 296.6647315 924.3139843 4314.093541 4222.693856 4335.929303 1954.941223 6418.924902 5896.785591
(3-{8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 12.54389691 7.413444597 9.657512935 6.172806118 6.613479704 9.060888184 0.525417005 4.223685434 1.306758799 24.82964093 4.559250515 22.22920983 0.50168707 15.37469202 17.06897557 2.949094797 1.067780682 0.725411208 0.320333865 17.99756502 0.549143989 0.800836692 15.54240174 23.54774651
(3-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid 2085.24391 1247.063744 7933.757501 3180.086812 2673.256586 2122.275342 782.7993174 2686.817361 2523.177872 997.0804076 4675.564142 1902.880242 16921.5085 22912.83207 21104.83595 19713.87536 27278.25508 25702.47313 35011.36537 38618.81163 37348.41201 41142.89772 39714.9548 38490.41068
(3-{5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-2-yl}phenyl)oxidanesulfonic acid 15692.37884 15260.95985 15644.95818 12367.91867 14232.94374 14808.10005 5210.686319 9006.284989 10124.6032 7277.767775 5469.366751 4563.016322 95119.21846 104146.6488 98206.86865 111534.5492 131045.4656 130202.5515 71481.7713 66218.27388 76612.99683 71859.75756 72705.55399 81289.03772
(3-{4-[5,13-bis(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 28508.16735 50437.42901 1570.224467 32991.22661 2629.437084 79313.5376 115119.6674 125903.372 112449.4436 141112.6735 149876.4056 139131.324 3952.435409 4080.067189 3570.740805 3739.686109 3540.522847 3066.094396 3651.699632 2547.702478 3416.730841 3363.567184 3155.606536 3737.145812
(3-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 7156.673939 5773.144452 3493.167253 7490.750289 7292.524595 5610.537287 7998.849673 7369.506489 6959.198058 5300.146799 6322.493602 3319.413864 803.8247851 781.2662317 888.0312788 640.4654836 892.4377603 520.8899532 278.6614889 486.590287 526.4958829 396.1038438 26.42487319 152.1435374
(3-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}phenyl)oxidanesulfonic acid 87.33766574 62.30244248 81.87239746 201.3749869 39.07962043 55.14231509 184.9503186 71.93992471 183.5881148 298.128735 179.0723326 192.945944 3480.813495 3603.687261 3239.350203 4116.395123 4855.948838 4185.086323 65.80010116 23.86739146 17.95637969 27.66759191 87.94349419 30.48062638
(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1(2),]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid 54276.96529 48469.31803 46642.85219 49305.4095 40934.58375 48567.1476 55569.94453 58189.14704 48741.48195 60989.91764 53657.81584 59998.0851 214961.4533 212585.4924 196155.1784 213929.8639 208004.3212 207685.8754 189037.2346 187625.1213 202893.887 191975.3416 195203.7577 205268.7314
(3-Phenylpropoxy)sulfonic acid 1104764.95 1068240.957 1051199.345 1040045.697 1063603.871 1070381.844 938348.8075 922470.6156 942238.9111 934903.2927 897430.7271 906891.7514 371601.0987 372868.8407 362933.9376 376466.7304 361465.7119 372410.4069 150112.9237 145021.7623 163236.8303 166537.3629 155881.0357 29167.16419
(3-Ethoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone 57647.20855 64996.8555 57295.36752 63156.40607 59800.42157 59316.10821 45104.46022 40892.58882 37492.49485 42239.45915 40097.61144 39157.92353 5098.521181 2397.423264 3465.639089 2047.867934 5311.937808 2906.541598 1311.848939 1958.146589 1575.597522 1134.586506 3295.344245 4029.119847
(3'S,4'R)-3',4',5'-trihydroxy-8-oxospiro[6,7-dihydronaphthalene-5,2'-oxolane]-2-carboxylic acid 61895.85386 63976.12807 61277.71505 65865.17589 63238.62511 60852.03015 60266.4438 58615.92388 61920.06331 54513.37397 59655.7156 59279.31246 104119.6983 99136.19356 99216.45719 97910.12492 96899.23061 101321.7844 17482.54944 16195.47616 16252.21553 19310.72216 17757.15038 24064.88215
(2z)-5-(4-Chlorophenyl)-3-Phenylpent-2-Enoic Acid 2025.687421 2645.446702 1871.351993 2076.904913 2893.767378 2331.924975 1103.846302 705.4062082 504.8748414 429.2784272 1101.852482 983.3933541 500.9411002 433.3096214 609.26796 756.9139518 877.4297813 580.3682309 760.453741 616.2453324 1067.586424 637.9693675 653.6984974 511.3766464
(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoate 4799.367643 4816.99413 2419.58404 5662.035636 3360.000539 1961.857698 3112.569974 3655.755394 5015.853588 2549.492857 2811.145974 2623.580912 28060.73929 27158.23648 26638.78003 29780.9116 27008.9595 30409.61487 17340.80868 16766.42711 14938.50844 16970.9539 18073.34061 13891.55189
(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene 58571.70296 54385.43667 53082.38837 85141.8707 46239.27146 54767.48901 76533.68012 64215.52107 70988.62545 79479.42478 83271.13255 87945.75417 4302.305831 239.7179888 620.6641196 187.5946688 1071.830222 1248.447979 14836.97186 13469.32169 11563.69524 13375.16838 13104.3845 13653.07311
(2S,3S,4S,5S,6R)-6-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylate 613.9822021 997.9176262 1852.822793 107.2184951 919.8702517 596.1636937 548.3078409 1167.783897 428.7901495 441.0117155 125.1132264 585.6761741 1488.825165 2032.36637 2123.457581 3517.418956 1417.154935 2646.714133 12771.63198 6072.419845 6792.273563 6537.40762 5956.933497 6186.234313
(2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-6-carboxylato-2-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate 739.5937489 748.9794331 294.9535742 794.8441208 619.6433929 690.6424943 64.62711352 111.2751707 233.2391096 251.1719948 252.5843353 51.02127655 42.5664624 192.7155334 55.97778146 56.26916272 55.72419031 26.82263357 15.77564735 29.91932856 13.99440772 49.95258592 63.7322842 9.475592833
(2S,3S,4R,5R,6S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid 726.6105997 1059.437819 1022.58048 2268.086806 2953.064427 1126.250365 1549.57378 2494.211192 3534.431904 1027.770854 1649.542263 962.5362885 2864.055026 5138.717178 3498.413469 5093.471959 3264.630868 5039.508406 3109.648505 3549.219624 3129.07992 1880.024159 2217.705521 3176.022112
(2S,3S)-versiconal hemiacetal acetate 11073.58062 12563.0719 11509.76198 11253.05907 12724.00802 10764.68751 14829.42476 14562.17017 15676.91498 13616.04797 17324.3684 14211.69439 15499.93292 13986.05179 16263.07159 16876.77498 19087.51465 17379.23243 58998.24279 50214.50508 53948.38147 50257.36442 50563.81145 91105.93258
(2S,3R,4S,5S,6R)-2-[2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 126072.3698 88206.3383 80071.7396 81308.22323 84301.37761 105754.8754 74799.26106 102948.3065 74291.29161 99065.22162 98210.66117 68355.5823 64587.6395 61903.73675 62145.24455 63891.15684 62870.24886 61433.45968 88315.00276 320060.5729 131311.5753 321029.9799 83765.3919 87294.74364
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 3436.916653 4464.904256 2755.86408 3758.551637 2638.706937 3246.399617 3651.144817 4152.412014 3901.384686 2904.010773 2411.699543 2322.06073 1539.891199 883.86162 680.2168896 485.3819064 1098.961624 306.3212504 649.7182022 174.1958032 530.8694629 379.0222848 711.5123026 1101.180578
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-5,6-dihydroxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate 8716.52939 4664.573953 7067.159293 8722.694823 6481.665026 9359.814459 1442.9281 849.8859338 121.7498911 765.2441193 428.3478553 967.0455357 38.35939871 248.8018521 83.11220157 144.2897844 379.1447079 221.2944176 388.6528179 132.8686154 20.70855128 121.749633 270.4735621 59.76289747
(2S,3R,4R,5S,6R)-4-hydroxy-3-methoxy-6-{[(2S,3R,4S,5S,6R)-6-methoxy-4-oxido-5-[(sulfooxy)amino]-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylate 3815.882792 3709.824453 3352.388792 2932.228119 2695.164149 3696.573257 14190.13554 17507.29281 21153.68673 17917.39981 23399.23246 22498.60059 6532.193075 6216.569879 9458.516586 11625.23205 9438.939435 11715.16417 504.8902969 1213.991672 496.142431 633.3188725 15.79589878 1013.244314
(2S,3R,4R,5R,6S)-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxane-3,4,5-triol 38744.07269 40435.50184 52289.88727 40309.55481 37977.88544 26444.89698 18697.44308 32759.97904 33198.32161 31604.11407 34454.03709 27862.08649 5346.12434 5435.870564 348.6263658 4131.908951 1722.195342 1173.992275 1282.508174 1627.501915 2385.046121 1489.866972 2487.476449 1953.636591
(2S,3R,4R,5R,6S)-2-[(2R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azoniahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol 147.4136775 155.7298872 105.994697 47.9417479 165.8393928 120.6709936 13.69769806 151.3273428 154.7503402 81.69697484 169.2637834 105.6669884 3450.199112 3936.674208 1495.050226 1796.345025 1952.558745 4222.442884 1795.854112 394.7855053 891.976734 1649.744814 796.251912 1362.587264
(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan 275.3020722 429.3358135 1342.067648 395.1926503 1206.14585 150.35997 553.6662235 74.72059114 297.7812584 234.3695436 95.39111877 364.1088486 10142.5159 7591.474449 8751.482148 8358.719158 10216.34603 8691.356611 4895.876903 3862.26351 4526.872464 3226.331745 5466.75719 6221.775032
(2S)-dihydrotricetin 5429.79119 3531.192007 6206.127455 2616.388646 7175.546599 6922.220035 7418.286671 8617.756051 2527.032038 5548.176501 10883.44876 9352.769386 28452.39704 27812.67427 22692.52735 18231.97146 21366.11497 24699.1051 24579.10461 24821.40792 28127.50542 27513.5915 24854.53004 23943.81896
(2S)-6-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 2310.092062 2305.389838 2135.630723 2781.757772 2594.333347 2376.570166 3703.014637 3735.662197 3846.169116 3703.857916 3837.389329 3472.783842
(2S)-2-amino-3-[[(2R)-3-docosanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid 2231.934477 2558.818244 1348.803164 1677.351005 1176.595808 3766.365091 3011.033607 2650.456756 1566.87357 3016.851042 1735.188529 723.1357985 67.92999203 224.7845989 341.6381851 33.34162667 475.6332777 263.6717429 133.5648247 336.223598 80.35788814 158.4891312 26.91807873 124.2759111
(2S)-2-amino-3-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid 106.731407 111.0816721 138.6244983 159.8186459 30.55245846 168.7096115 186.2628999 527.6120542 796.4603345 643.2631321 257.7983924 208.1865915 3069.60761 3006.326718 2287.321061 3606.336426 1999.10195 2510.233435 110.3223694 135.3103584 109.224764 84.20625273 195.5726811 97.89235998
(2S)-2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxypropanoate 50069.26169 50499.90197 49616.6391 56523.48993 47923.47848 46640.94112 28597.49049 30505.27163 24938.97146 25349.55404 43576.49333 27468.83106 6724.634738 61.21044849 41.24838964 5611.742308 5891.513796 8667.524671 19.29458925 3195.501183 59.08116424 37.52426669 3136.12917 74.56077362
(2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl]amino]pentanedioate 45059.81668 46408.75298 41405.1481 24604.51161 38921.44189 43599.41121 21895.39415 28183.76556 28213.8066 25015.84272 19675.69928 23993.06468 2738.949236 4361.857922 2847.128077 2697.363371 3335.739648 2392.892089 47.68416112 97.05085466 125.96737 253.1770046 53.61367363 165.0603436
(2S)-2-[[(4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,6-dihydroxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-6-amino-heptanedioic acid 359.1309683 268.5382396 256.0521983 64.38634297 64.38628132 100.1127557 404.6060164 287.3470173 344.7615895 31.40801888 81.26774109 356.671829 4087.68112 3767.974016 4528.676054 2456.59907 6097.335821 2592.133066 6831.134036 7040.915692 6613.738972 6870.207355 6340.265772 6867.396903
(2S)-2-[[(2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(6S,6aR)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-carboxylatobutanoyl]amino]pentanedioate 229.0102832 280.488102 560.977563 1378.373478 739.2625179 289.8477047 428.7631635 406.6931913 1361.076525 1059.596515 1106.547482 1222.874588 15991.93243 15281.20068 17317.69253 12688.74434 3611.775131 13457.82587 11419.82422 6029.425332 10422.74458 9905.985749 10514.83171 14526.48985
(2R,5S,7R,10S,11R,15R,17S)-7,15-dihydroxy-2,10,11,20,21-pentamethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),3(8),13,19-tetraen-9-one 1004.256954 3184.625017 2156.970007 1338.5411 1118.317179 1468.862822 3446.542919 3422.72571 5062.511431 8277.399594 7062.215711 2484.733004 25763.61584 24658.53384 26065.74387 27354.40676 24803.30286 25864.12008 14374.97874 13796.99061 16199.72297 15065.65241 14480.56169 15867.52692
(2R,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 59676.17697 47915.53775 46406.05317 55401.9543 48450.8793 35926.24023 81455.24557 82611.50045 80600.19402 81864.819 86006.30325 81682.48412 60853.84926 62392.62697 62167.36026 64807.80402 60401.19808 62088.98016 46513.9059 45131.5204 47961.20465 47278.33796 46339.42763 47854.21223
(2R,3S,5R,6S)-4-{[amino(iminio)methyl]amino}-2,3,5,6-tetrahydroxycyclohexyl phosphate 33503.70414 35094.34004 33214.70592 34045.70051 35284.32826 29743.9411 27447.06373 29762.36136 29415.36832 27842.85519 32243.96547 26309.68933 112.713008 612.4903165 221.4720619 706.4866786 815.544791 535.2235293 388.8938675 606.2465627 965.478819 362.3635669 58.00485074 279.5585271
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[[(3S,4S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]oxane-3,4,5-triol 1229.863415 280.4187057 806.886234 772.5502022 917.0255476 330.3692705 986.9545632 475.8892336 387.6561846 571.247103 188.8000646 678.4713798 7751.491602 6432.20595 9490.877371 5376.176786 6075.238102 7579.463398 724.0443419 6276.733263 5288.281676 3027.135645 4339.689031 3155.45879
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4aS,5S,8R,8aR)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 841.565398 381.7408083 547.8724921 298.98384 357.2116729 567.6387622 450.5518023 799.5022274 1177.33538 710.1633866 834.8482113 687.7774565 2172.87038 3547.137429 2459.387999 3125.749025 2873.102832 2852.51899 4462.035937 3343.649909 3905.032647 4330.4648 3355.854777 3966.392511
(2R,3R,4S,5S,6R)-2-[3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 1101.403882 547.9423298 893.0602814 207.681526 639.2613402 642.4809004 1062.079081 839.1408424 523.581938 547.6910173 1040.2804 666.6169865 3973.365538 3391.039167 3256.170325 3036.354305 2949.933614 3618.984481 56251.11923 49752.8085 54913.04146 53151.31936 53487.34062 55943.36728
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 5807.877588 4164.756482 3734.046115 4829.607677 6447.459469 3654.758545 6146.726126 7841.968449 5488.798936 7122.720984 8204.986459 8345.083321 3197.614872 1022.017045 2311.451486 2396.276268 5074.234611 2318.877168 5009.789141 1524.631232 4302.516626 4558.085702 5947.147839 3963.626589
(2R,3R,4S,5S,6R)-2-[2-[(1R,5R)-5-hydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 1500.310128 1130.085008 1327.414916 2053.297074 1150.849465 20.55376417 920.6889412 1136.791265 1142.466113 965.2629529 1123.683056 1298.774198 27753.74521 27240.01011 28051.99221 26580.96411 28257.39808 28476.1212 24356.53396 22695.40981 25372.81453 23721.97281 22878.74903 24412.94118
(2R,3R,4S,5R,10S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2S)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-6-methoxy-2,5-methano-7,8-methylenedioxy-1-benzoxepin-5,10-diol 1996.524684 661.6540402 738.4230443 695.8999692 584.7453317 1558.376617 11107.92802 17897.85708 24293.84244 12257.20909 26108.53583 22173.47469 3828.561083 2821.635449 4147.127552 2739.070602 1847.081881 2939.02595 45446.16668 42797.80947 47634.4981 45949.30629 43799.44092 45320.41705
(2R,2'R)-3,3'-disulfanediylbis(2-acetamidopropanoic acid) 2386.66888 3660.546099 4128.348446 3973.015534 4075.262366 3556.610902 16271.10298 13891.26101 14001.01759 13078.48514 15744.22354 17310.45841 444.2960018 5.146032853 644.4397594 1.210824485 897.8370233 883.0358344 1113.827391 1204.690652 712.5073398 560.8049883 696.0088296 806.051169
(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetic acid 70429.06943 62892.1757 62318.29524 62926.41281 58578.94169 53466.52644 52462.96104 53603.29252 51572.12913 57081.4527 54061.63564 54090.6874 316.3490108 134.3114201 128.7460928 112.6178482 15.56276012 24.05145277 60.9683822 839.46977 47.08468029 95.21614877 459.8860765 45.87720798
(2R)-2-azaniumyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}sulfinyl)propanoate 3822.826128 4028.384682 4110.135172 4292.767092 3825.985633 3691.95085 3347.5367 2579.187498 2903.952404 3278.129224 3107.817612 3161.03561 3601.440479 3413.122883 3703.768747 3497.77243 3788.373863 5991.20706 3811.21452 4465.512718 1460.632767 2106.806817 3656.833206 2312.092335
(2R)-2-amino-4-{4-[(1E)-{[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl}(hydroxyimino)methyl]phenoxy}butanoate 12101.81204 14547.42182 7952.529666 40814.32998 2577.100478 7116.761762 77895.85855 88716.92672 51660.07218 80545.57175 106167.7429 102328.283 253848.8251 222223.6912 227081.8487 227984.2494 193874.8078 226743.6748 138988.1262 145907.0845 149351.6972 190146.3398 131637.1028 135414.7422
(2R)-2-amino-3-[1-[7-[1-[(2R)-2-amino-2-carboxyethyl]sulfanylethyl]-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethylsulfanyl]propanoic acid;iron(2+) 73773.75977 62799.45496 62774.45405 82835.37196 55856.03398 54145.25864 74559.67955 77014.65916 68042.78793 80691.35181 80293.48327 81389.07666 620.4775716 2959.218011 2669.445957 1968.687197 21176.82111 2834.030866 1111.839543 615.0066208 5634.868652 2837.610325 2715.599867 1451.466923
(2R)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxypentanedioate 190856.6406 193973.8436 191717.1551 213622.9326 195529.8225 181212.378 183559.5352 172987.7423 171881.2266 175786.1802 176715.8734 170289.9407 407103.0163 417166.3571 411061.4514 420048.4713 413979.3904 421735.332 133093.4501 127587.0322 140857.4658 143953.8769 129635.5932 136433.1307
(2R)-2-[(3aS,4R,7S,7aR)-3a,7a-dimethyl-1,3-dioxo-4,5,6,7-tetrahydro-4,7-epoxyisoindol-2-yl]-6-aminohexanoic acid 36.40427506 415.3898867 49.72483566 268.1858498 279.3584314 355.3564826 675.0687764 402.711419 372.2375818 363.5307778 457.8964722 306.8797953 4398.841686 5524.343717 4874.022869 4473.109168 5151.999464 4567.025294 8100.816394 7773.963744 7852.317111 7281.463244 7618.475227 7841.982653
(2R)-1-[(2E)-2-(6-carboxy-2-carboxylato-2,3-dihydro-1H-pyridin-1-ium-4-ylidene)ethylidene]-6-oxido-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate 60.03246769 73.59227345 56.22345874 121.2107576 73.21025744 77.52525907 11.07644332 7.97709469 15.17256222 8.199341189 28.50937487 19.68903698 9.593132566 13.33626467 8.102390653 19.62248134 6.10937705 38.74253648 14.15587133 35.08244344 13.49471795 26.84032563 10.65419066 12.73825784
(2E,4E)-8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid 1-beta-D-glucopyranosyl ester 158.5951509 67.3650452 259.4018579 281.1906412 304.1109763 180.2625261 54.55391063 112.3547298 192.425419 306.9964753 105.2008973 63.8810391 4273.165366 3682.501524 4063.853208 3889.07986 4527.663388 4011.366819 665.6452896 175.7839704 215.5681926 205.7174611 678.2906252 214.1061704
(2E)-4-[(1S,3aR,5S,12aR,14S)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5-methoxy-8-hydroxy-3,3a,4,5-tetrahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid methyl ester 282.2679877 283.3662947 129.8870439 145.3945387 132.3670908 159.880772 304.8532864 324.9200089 363.6797859 472.759997 210.0712177 26.55866414 527.2859972 711.0476545 1041.15847 706.6788023 163.1072802 1050.399635 2348.546206 1969.92053 1992.476232 2760.803891 1926.783873 2170.351303
(2E)-4-[(1S,3aR,12aR,14S)-1-(Methoxycarbonyl)-9-(3-methyl-2-butenyl)-3,3,13,13,14-pentamethyl-8-hydroxy-3,3a,4,5-tetrahydro-10,11-(epoxyethano)-5,7-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid 514.6117254 178.4163937 4039.431305 616.6869153 5120.743393 129.207383 2438.357844 2370.301531 2003.372961 2201.507275 2015.22081 4197.386394 44685.23305 47305.08815 41649.38316 53290.59832 51568.35452 49334.56318 76818.80555 69146.15542 67679.39974 69565.72001 77206.33147 73908.32439
(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoate 3714.954312 137.6419916 1919.066598 46.94469987 2335.530115 176.5386156 211.7835339 4176.98712 141.1888928 37.13009783 458.3725255 253.163044 89855.02386 137648.634 92694.93265 115016.359 115574.5107 108271.0428 135694.206 122676.3616 136033.8969 121385.8164 117450.9019 124958.2938
(20Z)-4,6,23-trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol 4881.534936 8182.530569 2311.034748 3694.555322 3332.796576 4033.530457 4802.808395 8968.643105 4121.041249 4455.708518 2366.329607 6053.530417 107.842646 435.9354424 38.21878993 320.8615028 68.60511223 421.3540338 14.16546994 45.48605774 30.55294315 420.8673761 506.2761873 522.6655099
(20S)-2beta,4beta-Diacetoxy-3beta-(tigloylamino)-20-(methylamino)-16alpha,17alpha-epoxy-5alpha-pregnane 43095.48767 43797.95043 43464.69027 45482.05677 44171.36564 45696.91663 33609.68317 36455.70146 35600.70039 35863.19675 36202.17714 35453.37051 28773.47548 22069.56525 24538.40415 24589.07053 23279.90712 22154.46979 18960.11989 17636.70159 18858.24683 19731.67693 19834.52681 19782.84218
(20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione 1119.141201 769.8296021 857.0044984 646.7620115 333.8608574 1213.348703 305.9664524 753.4619437 222.9032411 343.7971444 123.1411525 90.46540638 4931.125459 5579.874878 6250.479017 6195.18668 6275.790669 5461.364961 7651.544601 9062.97237 7643.576178 7920.761208 8252.837958 7951.822993
(2-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxidanesulfonic acid 122694.3725 126380.0687 121756.3416 118894.9155 116224.3092 125558.0186 68100.1889 85383.4768 72705.20078 80580.26516 92530.20971 83018.76572 170845.6063 160759.4401 175796.3361 165658.3746 165214.2083 164571.7368 36982.10824 37975.74331 36635.85552 33601.99152 35845.49177 23472.14618
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid 315.3597966 187.22139 398.2971329 352.2406208 444.1627455 430.8982234 215.7961168 521.7020005 144.1124086 657.3451503 420.8298037 392.4047963 30222.43547 32245.28023 32834.40418 34497.12851 37021.70381 36114.02112 64840.64498 69862.22896 68239.85013 75768.97671 76794.42435 74771.81983
(2-hydroxy-5-{5-hydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid 172.5330834 175.9898401 278.0035104 85.31851155 233.022046 79.05825824 111.2008733 281.2352687 2387.469567 41.6647753 253.8843231 74.77823475 1005.081059 371.444741 128.702814 162.8052578 187.0159657 358.1740805 6999.042243 7141.23729 7115.666066 7448.230708 7028.204208 7273.526054
(2-hydroxy-5-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 431242.8278 360432.2546 348253.6669 352530.0743 348995.6663 318630.9488 294353.4584 267507.2994 257495.0861 269456.7618 260434.9487 244031.1061 16054.89833 12854.55741 10648.26839 15363.25511 12366.86437 12002.56636 220.1677541 104.0208544 1283.422943 157.6979372 94.82573069 5586.734558
(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid 1688.882125 1566.711813 502.8701353 7999.301793 8470.982181 1105.647307 3103.881234 1178.611148 2276.4314 1928.110816 839.0493124 4331.024346 64408.44364 86818.70506 76485.45826 71958.49608 64083.81575 65774.92764 28331.94065 153193.4588 162337.4159 144138.9995 159139.4023 152733.6315
(2-hydroxy-1,2-diphenylethoxy)sulfonic acid 194.6754929 237.7925173 352.994978 251.6117478 191.2806308 255.1184928 283.0636791 456.6185209 488.4755397 596.433283 613.447113 275.7937207 1973.482764 3286.036557 2151.367023 3160.290564 3796.17013 2546.660344 4101.737054 2912.827828 4140.052498 3107.446089 3132.943131 4149.799178
(2-amino-4-oxo-6-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methyl phosphate 6547.339773 2029.132888 3500.548982 3793.958871 4318.869332 2532.717474 7840.035887 4197.229928 8807.927232 6041.751065 6861.136791 4836.392641 3723.963339 7717.378199 10610.60452 12285.92836 15356.92543 16148.17599 3978.030762 7936.751656 4359.979173 5049.897437 5674.296937 2210.960476
(2-Hydroxy-12-methoxy-18-methyl-11,17-dioxo-5-oxa-13,14,15,16-tetrathia-10,18-diazatetracyclo[10.4.2.01,10.03,9]octadeca-3,6-dien-8-yl) 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate 7304.048679 9646.419827 8908.332097 8974.742265 7127.609502 8508.196355 1115.707183 1056.886495 619.4146697 814.670163 850.9766837 544.450168 3.457775362 98.83428326 98.09475264 87.0973328 122.4307768 89.02758591 139.2124883 331.28902 664.3870049 71.01723971 324.039968 83.89664964
(2,4-dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone 447547.005 430337.0224 437152.7392 429389.6548 415102.2237 431497.5486 98080.43743 100543.279 97879.91973 95624.45134 93693.85772 87754.90031 17367.41764 384.2849466 23522.10877 480.6379837 21424.16124 25547.61271 9287.363429 6400.344891 7996.16071 11646.85588 11828.06777 10963.41708
(2,3-Dihydroxy-4-oxo-5-phosphonatooxypentyl) phosphate 2492.458848 2786.345794 2751.71243 2526.811609 2506.398924 2814.594742 2743.039265 2504.69058 3178.598654 3325.68603 2625.157436 2941.244862 3429.961156 3260.143171 3377.859298 3907.419183 4003.278308 4449.538376 4290.405928 4393.88258 4632.173506 4415.55131 4303.878071 4915.684101
(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,5,6,7-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate 1073.095127 178.0128888 300.1133263 227.8227412 529.6248539 302.0792136 118.4494152 163.6649879 255.2030701 151.1137093 458.246604 71.54745391 13650.39577 14629.07225 17067.47939 18671.76842 16661.67154 21114.55704 6788.135369 7687.80614 9450.996098 8657.830625 5615.818409 6701.283403
(2'S)-Deoxymyxol 2'-alpha-L-fucoside 195.3195777 312.7568242 529.4207692 404.3136468 342.1733128 54.69239216 699.8426672 460.7104025 369.4411435 568.1410904 71.32902053 333.6335475 7320.793081 7181.395985 7469.419571 7648.090336 7295.602606 7545.635339 11939.70964 11093.35923 11852.42297 12338.97693 12350.78252 12808.30884
(1S,6S,7R)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 6427.524753 4126.041799 6128.699621 17178.27163 1707.106315 6426.360325 9770.20477 7941.534513 21114.42268 8542.509713 229.23823 10857.63813 17236.15448 438791.024 432902.9216 453746.0276 411679.3016 461372.3695 788801.9206 810158.3884 889314.8838 845854.0459 846278.9229 890164.6865
(1S,5R,7S,13S,20S)-11-hydroxy-5,10,13,14,15-pentamethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-3,9,11,14,17-pentaen-16-one 1120.935271 1963.003479 979.3012267 1251.542335 1026.578384 1388.665483 547.0966861 621.4168529 298.6877236 382.1244736 916.1389919 289.1719834 328.5369974 1399.881315 695.0352202 766.6468778 269.7401321 180.7947367 2699.209637 1548.121711 878.132066 1760.993901 1261.339846 2152.410104
(1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside 3865.944998 3036.171784 4648.528971 4958.509578 2981.980632 3702.898393 2983.083587 3234.311446 2323.273299 2701.863561 2855.169149 2020.973103 21433.40699 20373.08204 38270.76709 22322.50708 20680.58839 23423.64459 185234.4657 108470.5397 117690.8186 110475.4683 112820.252 117067.2232
(1S,2S,4R,8R)-2-(beta-D-Glucopyranosyloxy)-p-menthane-1,8,9-triol 82829.58397 82882.92366 79806.31769 81515.46465 76888.12712 79981.62732 88259.53509 89512.37668 87333.05759 88703.32187 93190.76122 88505.75581 812.1582047 826.0952769 744.3163337 76.5749078 1392.282773 575.14304 3189.711368 2243.972781 3144.293694 4075.002092 3431.132946 3036.332436
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-arsonato-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside 20436.46414 21092.96855 17317.89489 19761.08934 18340.25253 21431.11427 24026.83076 24444.45079 20660.7611 22825.32122 24946.94621 25105.12052 15896.07131 15546.336 19230.21263 18119.61271 19089.57863 19621.28458 5404.340544 5924.770988 6343.245778 5707.443261 6576.394322 7639.274309
(1S,12R,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione 8717.341024 4227.201782 3420.324468 3560.949725 4261.5024 6179.774721 10061.86337 9662.463236 9398.397957 5291.512072 9596.969114 8303.758246 939.3559991 1749.599259 2616.254725 1164.024831 770.6792218 1069.554285 744.0888979 603.3022931 1347.936918 864.5910923 566.5683483 1083.502504
(1S)-5alpha,7beta,9alpha,13alpha-Tetraacetoxy-2alpha,10beta-bis(benzoyloxy)-11,15-seco-1,11-cyclotaxa-4(20),11-dien-15-ol 162.2185642 64.67670011 88.93551377 102.7120909 126.8587353 158.1061354 126.7845793 90.73663427 75.17284217 109.2879091 241.1500201 75.48497804 1852.958483 2011.836546 1587.935538 1475.467435 1474.628749 1224.714412 74.43695254 30.87114916 202.0359748 17.31095327 78.90893931 93.28673451
(1R,2R,5R,8R,9S,10R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 43.90811384 52.30130663 35.38401384 9.260246574 37.30303387 51.40701205 9.279462863 3.48366682 7.757277147 4.435489394 4.581931021 1.664751145 2.042416539 2.100202109 6.357224031 0.685941514 1.350136682 2.547210945 1.304714184 0.578038241 0.421143395 1.356470932 0.508676182 14.75501217
(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione 2359.649658 3919.303529 3454.747843 1033.447008 3161.631124 2770.925606 5748.160455 3098.028511 3051.276365 5880.271904 4898.190843 4519.351649 27521.81406 19894.33864 26962.86234 23506.49502 21261.75881 25237.62436 17783.60194 17713.49056 20762.62653 31022.46802 34177.22963 19765.13879
(1R,2R)-N-((S)-1-(4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide 43231.99972 43372.62586 38381.02766 37152.3363 37947.93471 34868.63798 58774.79733 56014.11468 47168.18322 50100.2874 48759.327 50111.35825 199.7737327 10.57328637 1220.793657 77.20267209 49.18072592 42.31840776 1328.789853 95.12084544 1132.704223 1049.086271 1460.015984 1199.767584
(1R)-2,3,3a,8b-Tetrahydro-8bbeta-ethoxy-1alpha-hydroxy-6,8-dimethoxy-3abeta-(3-hydroxy-4-methoxyphenyl)-N-methyl-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxamide 5068.14683 7379.151019 6060.82403 4832.393611 4613.422741 5782.077088 6149.840708 5770.1871 5838.062683 5661.651839 6188.86626 5393.989193 65118.6661 69760.34465 62696.48072 68186.2251 64768.19071 61908.8851 89041.50208 81912.46203 87611.03053 87918.65899 82535.45509 88272.56761
(16R,17S)-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione 13362.88379 13690.27835 11531.02092 13957.50806 10554.99869 12881.39219 15215.8775 15925.66972 16215.41831 13250.48669 16388.7668 15026.45572 2846.629767 3622.547966 752.3562982 4512.847596 5439.130532 2376.883713 2549.22022 6814.141463 1413.193621 966.8990455 4562.688813 3277.109854
(15S,16R,17S)-16-ethenyl-17-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxa-10,13-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-3(11),4,6,8,19-pentaen-14-one 140.7792077 436.6881532 374.0216332 172.9430272 242.2641468 8615.750546 11968.27543 14190.31711 17100.52061 13079.33005 224.4047156 90.05900057 228038.6828 219988.6514 227109.6949 224139.8109 202485.1873 235303.2027 74347.2146 65342.20947 72023.95076 76098.75923 199256.2739 205836.9211
(1-(4-fluorobenzyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone 8183.160495 7875.38403 6977.264145 7315.251086 7022.7884 7650.150941 3195.61811 3726.736988 3602.555675 4814.730467 6022.212347 4518.169102 244.5081121 160.7661842 227.510992 195.9295433 406.3627246 313.6569662 240.5149886 301.9212991 31.85398158 95.29430552 246.828104 181.3088409
(-)-Maackiain-3-O-glucosyl-6''-O-malonate 1695502.554 1664584.55 1672233.264 1578761.699 1523086.554 1653096.623 1623452.468 1618282.752 1672276.112 1659069.487 1774151.679 1337488.806 11207.24816 5986.050054 5724.484769 8277.431064 1573.407413 6332.894813 5282.883768 768.1528506 1774.003217 1729.995449 6802.448913 5049.535152
(-)-Filiformin 31013.09669 39526.02889 29557.37361 31817.47506 28844.9113 32221.47016 35605.72635 34926.23767 30458.81482 36430.25092 37779.50974 36976.54506 154644.2076 150601.0281 143887.8714 148986.4801 140636.3015 141022.4936 92816.92873 90509.91829 94560.55562 87975.972 86155.65458 86879.36077
"(-)-Epigallocatechin 3-gallate 7-glucoside 4""""-glucuronide" 25.87620101 11.43073904 24.93411888 68.38944893 32.32437454 58.01201007 41.48707677 80.79684313 132.5693826 51.64091462 525.4583451 158.5673662 20.25849928 45.58326415 44.2991571 8.778869185 24.61219981 36.2599384 64.4040637 46.57420941 52.95244909 105.8634223 28.03241508 25.57924058
(+/-)-Bocconarborine A 175659.458 171260.5413 174969.3094 161333.3405 158830.8933 157761.5682 164272.9453 157977.5176 164024.4076 157336.0315 153732.8506 143377.2542 128.4773391 9479.013463 8691.930755 12018.91935 10942.95161 58.84461279 828.562661 61.29625399 1107.910442 1773.787719 524.043358 675.4331154
(+/-)-6-Acetonyldihydrosanguinarine 33601.99522 31303.95207 32501.70309 37334.45739 34384.06035 33361.57731 27256.58175 28254.18658 26182.98903 26580.26859 27936.00203 29346.58758 157.03608 517.196803 607.5112638 50.87652885 840.4191465 552.5297747 456.6262386 363.424018 206.9100582 78.41778491 797.5178953 77.87702477
(+)-Lyoniresinol 9-glucoside 4571.992753 2820.294852 2182.536611 2956.121761 1922.67719 2435.520803 1724.59357 5353.477258 3892.755795 4488.921254 4050.997267 4433.585664 19574.39121 23038.15964 20018.63232 19733.24475 22085.5219 19022.38325 22739.22975 22271.7514 24284.33601 24240.85674 22265.27196 23171.42492
(+)-Chebulic acid 5830.545203 3534.170996 5678.500891 5914.116298 6201.858299 7846.364621 7200.058235 8167.291487 7171.943954 7864.232434 6295.400634 8972.927573 367.1704277 288.5960768 87.96366191 39.20453871 56.00632778 486.7991318 60.60037695 171.0795007 218.5714837 51.88837949 214.4712712 289.9162039
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name Mass (g/mol) RT (min) Adduct Pubchem CID cpd_ID kegg_map
Arginyl-glycyl-aspartic acid 346.1600826 3.5416 M+CH3COO 104802 - --
Nudicauline 710.3414607 4.9517 M-H-C6H8O6 441750 C08702 --
Isofenphos-methyl 331.100716 4.813 2M-H 127394 - --
Kazinol A 394.2144096 3.977 M+Cl 442414 C09760 --
(15S,16S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid 453.1324708 5.3071 2M-H 9846716 - --
Stypandrol 430.1416386 8.7191 M-H 188516 C09971 --
Venlafaxine hydrochloride 313.180857 11.4215 M-H 62923 - --
4-Hydroxybenzoic acid 138.0316941 1.2134 M-H 135 C00156 ko00130,ko00790,ko01100,ko01110,ko01240
Trehalose 342.1162117 0.7852 M+CH3COO 7427 C01083 ko00500,ko01100,ko01110,ko02010
Allantoic acid 176.0545548 0.738 M-H 203 C00499 ko00230,ko01100
3,5-Dihydroxybenzoic acid 154.0266087 2.2422 M-H 7424 - --
Pseudolaric acid B-O-beta-D-glucopyranoside 594.2312415 4.906 M-H-COCH2 10031398 - --
Fosthiazate 283.0465719 6.7874 M+CH3COO 91758 C18402 --
Cefpirome sulfate 612.0766886 2.7472 M-H-C6H10O5 11954008 - --
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphate 488.1073318 1.7658 M-H2O-H 11583971 - --
Adenosine triphosphate disodium 550.9596321 2.1543 M-H 13803 - --
Betamethasone acetate 434.2104671 3.6033 M+K-2H 443967 - --
Mallotochromene 442.162768 1.6507 3M-2H 126969 C09013 --
Urdamycin A 844.3517507 5.1727 M+Cl+NaCOOH 443819 - --
Cyclohexanecarboxylic acid 128.0837297 5.675 M+HCOO 7413 C09822 ko01100
Pyroglutamic acid 129.0425931 1.1524 M-H 7405 C01879 ko00480,ko01100
2-Thiophenecarboxaldehyde 111.9982855 9.1088 M+Cl 7364 - --
Haploperoside E 646.2109 5.3526 M+Cl 21607628 - --
S-adenosyl-L-homocysteine 384.1215886 6.2641 M-H 439155 C00021 ko00270,ko01100,ko01230,ko01240
2-(2-Methyl-1H-imidazol-1-YL)-1-propanol 140.0949631 1.4129 M+Cl 109508 - --
Epiandrosterone sulfate 370.1813949 3.2801 M+F 9929317 - --
Ceftibuten 410.0354757 2.7778 M+Cl 5282242 C08117 --
[4-[[(2S)-2-acetamidopropanoyl]-[(1S)-1-carboxyethyl]amino]-3-amino-4-oxobutyl]-(hydroxymethyl)-oxophosphanium 364.1273622 6.125 M-H 6337983 - --
Dinobuton 326.111401 8.1705 3M-H 13783 C18721 --
Cinnamtannin D1 864.1901646 3.234 M-H 46173958 C17632 --
(2R)-2-[(3R,8S,9R,10R,13R,14S,16R,17R)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-16-hydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-5-propan-2-ylfuran-3-one 762.4190424 3.2954 M+Cl 91884878 - --
Elloramycin 660.2054207 7.1382 M-H 10009567 C12381 ko01100,ko01110
9(S),12(S),13(S)-TriHOME 330.2406243 5.846 M-H 9858729 C14833 ko00591
Allantoin 158.0439901 4.4438 M+Cl 204 C01551 --
Carvyl propionate 208.14633 4.7514 2M-2H+K 7336 - --
Acetarsol 274.9774917 1.497 M- 1985 - --
Normetanephrine 183.0895433 1.3824 M+Cl+NH3 1237 C05589 ko00350,ko01100
4-O-Caffeoyl-3-O-feruloylquinic acid 530.1424265 8.0197 M-H 131751357 - --
Chryso-obtusin glucoside 520.1580765 9.9689 M-H 442730 C10313 --
Fisetinidol-4beta-ol 290.0790383 3.8782 M-H 442398 C09736 ko00941
1-(4-Iodophenyl)piperazine 288.0123465 1.0207 2M-2H+Na 4147845 - --
Thenylchlor 323.0746773 4.3206 M- 443036 - --
2'-Deoxyuridine 5'-monophosphate 308.0409525 5.551 2M-H 65063 C00365 ko00240,ko01100,ko01232
Demoxepam 286.0509054 2.6559 M-H 13756 - --
DOPA sulfate 277.0256225 1.4586 M-H 178810 - --
4,8,12,16-Tetramethylheptadecan-4-olide 324.3028307 5.1535 2M-H 567149 - --
Isoliquiritigenin 256.0735589 5.6469 M-H2O-H 638278 C08650 ko00941,ko01100,ko01110
Desethylamiodarone hydrochloride 652.9690675 0.8919 M-H 178801 - --
Vortioxetine hydrobromide 380.0745698 3.1425 M-H+CF3COOH 56843850 - --
Vaniqa 236.0739266 1.7505 3M-2H+Na 441361 - --
Extracellular Death Factor 660.2615876 4.8595 M+Cl 25006558 - --
N-Acetylvaline 159.0895433 2.3649 M-H 66789 - --
2,4-Di-tert-butylphenol 206.1670654 9.5924 M-H 7311 - --
Pterostilbene Phosphate 336.0762754 4.4438 2M-H - - --
Rhamnalpinogenin 328.0583028 7.3375 M+Cl 91476522 - --
2-(3-Bromophenyl)-5-ethyl-1,3,4-oxadiazole 251.989824 1.0298 M+Cl 26967004 - --
Pulcherriminic acid 256.1423072 3.1122 M-2H+K 3083664 C20515 --
2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol 372.1447072 2.3494 M+Cl+CF3COOH 17754438 - --
Corynebactin 882.2555588 5.169 M-H 125349 - --
2-O-Feruloyltartronic acid 296.0532175 5.49 2M-H 131751352 - --
Ganoderic acid C1 514.2930539 4.7667 M+Cl 471004 - --
Aurasperone E 588.1631619 6.9099 M-H 188114 - --
Fonsecinone B 588.1631619 8.3534 M+HCOO 101301306 - --
Calmidazolium 650.9915049 0.8919 M-H-CH2 2531 - --
Mephosfolan 269.0309219 2.059 M- 13707 - --
1,2,4-Trimethylbenzene 120.0939004 0.738 M-H-NH3 7247 C14533 --
Nbd-ceramide 575.3682845 5.971 M+Cl 16219783 - --
4'-Carbamoyl-[1,1'-biphenyl]-4-yl methyl(3-(pyridin-4-yl)benzyl)carbamate 437.1739417 2.3649 M+Cl+CF3COOH 17759121 - --
1,4,6-Trigalloyl-beta-D-glucopyranose 636.0962642 8.8871 M+CH3COO 14284610 - --
Decernotinib 392.157244 9.577 M-H 59422203 - --
Kaempferol 3-(3'',6''-diacetyl-2'',4''-di-p-coumaroylrhamnoside) 824.19525 6.8181 M-H 131750881 - --
5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide 357.0767858 3.1881 M-H 16038374 - --
Pavoninin-1 661.4189827 9.9839 M-H 21725054 - --
Ser-Gln 233.1011707 8.3382 M+Cl+HCOOH 7016082 - --
1,3-Dimethyluric acid 196.0596402 3.7563 M+CH3COO 70346 - --
Apigenin 7-O-(2''-O-acetylglucoside) 474.1162117 5.9855 M+HCOO 73829943 - --
3,5-Dihydroxyphenyl 1-O-(6-O-galloyl-beta-D-glucopyranoside) 440.0954763 2.4577 M-H 131752603 - --
Nonoxynol-9 iodine 870.2275944 4.6441 M+Cl 3081622 C18612 --
4-Methoxycinnamic acid 178.0629942 5.4748 M-H 699414 - --
5-[2-(Trifluoromethyl)phenyl]furan-2-carbaldehyde 240.0398142 3.8632 3M+Cl 688280 - --
[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 770.2633296 1.6507 M-H 6442411 - --
Chlorpropamide 276.0335408 5.6438 M-H 2727 - --
Rebeccamycin 569.0756556 2.2805 M-2H+K 73110 C19701 ko01100,ko01110
Isochamaejasmin 542.1212971 3.2646 M-H 390361 C09758 --
Neurodazine 456.1240703 6.8819 M-H 16112820 - --
Pyrazosulfuron-ethyl 414.0957678 5.5059 M-H 91750 C18444 --
Arginyl-glycyl-glutamyl-serine 447.2077611 1.2519 M-H-C2H4 121927 - --
Leucocianidol 306.0739529 4.0155 M-H2O-H 440833 C05906 ko00941,ko01100,ko01110
Glucoliquiritin 580.1792059 5.5973 M+F 46869260 - --
Asperlicin 535.2219545 0.7852 M-H-H2O 3035433 - --
Asticolorin C 568.1733327 6.7721 M-H 101982328 - --
Fosphenytoin 362.0667733 3.7716 M+Na-2H 56339 C07840 --
6,16,24-Trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one 536.1835034 3.6645 M-H 131750964 - --
Nelumboside 640.1275643 3.6339 M+CH3COO 11968794 - --
Enrofloxacin 359.1645199 1.8427 M+Cl 71188 D02473 --
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile 342.1150466 0.8003 2M+Cl 16267445 - --
N-Nitroso-pyrrolidine 100.0636629 3.418 3M+2Cl 13591 C19285 --
Thionalide 217.0561347 5.0604 M+NH4-2H 66733 - --
Umbelliferone 162.0316941 2.5097 M-H 5281426 C09315 ko00999,ko01110
1-((4-Bromophenyl)sulfonyl)piperidin-4-one 318.9700894 0.9379 M-H-C6H8O6 24706412 - --
Maclurin 3-C-(2'',3'',6''-trigalloylglucoside) 880.1334376 4.4746 M-H 131751270 - --
3-Glucosyl-2,3',4,4',6-pentahydroxybenzophenone 424.1005616 2.0129 M+CH3COO 75169766 - --
Mangiferin 6'-gallate 574.0958702 10.5417 M-2H+Na 131752602 - --
Coumestan base + 2O, O-Hex 430.0899969 6.6112 M+CH3COO 74977392 - --
2,6-Difluoro-3-sulfamoylbenzoic acid 236.9907348 0.754 M-H 16775984 - --
Tetrahydromethanopterin 776.2629667 5.551 M+Cl 135398665 C01217 ko00790,ko01100,ko01200,ko01240
Rebeprazole sulfone N-oxide 391.1201916 0.8072 M-H 16095901 - --
Ureidosuccinic acid 176.0433214 2.5336 M+Cl+NH3 279 - --
Dianhydroaurasperone C 556.1369471 5.49 3M-H+Cl 146357 - --
Phosphocreatine sodium 254.9996928 1.9047 M+Na-2H 71588 - --
6-Phosphogluconic acid 276.0246338 8.4619 2M-H 91493 C00345 ko00030,ko01100,ko01110,ko01200
D-Cysteine 121.0197492 2.839 2M-H 92851 C00793 ko00270,ko00470,ko01100
Prolyl-Histidine 252.1222405 1.7044 M+CH3COO 9856353 - --
Pyronine Y 302.118591 2.2575 M+Cl 7085 - --
Pinobanksin 5-[galactosyl-(1->4)-glucoside] 596.1741206 4.2591 M+K-2H 131752199 C09826 ko00941
D-Myo-inositol-2,4,5-triphosphate 419.962381 0.386 M+CH3COO 122195 - --
Bromfenac 333.0000544 2.4422 M+Cl+CF3COOH 60726 - --
2-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide 384.0867812 5.0758 M-H-C3H2O3 11973722 - --
2-({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid 407.1434256 5.49 M+HCOO 24816385 - --
Tert-butyl 2-(5-chloro-2,2'-dioxospiro[indole-3,3'-pyrrolidine]-1-yl)acetate 350.1033349 4.813 M-H 24828731 - --
{5-Chloro-1'-[(5-chloro-2-fluorophenyl)methyl]-2,2',5'-trioxospiro[indole-3,3'-pyrrolidin]-1(2H)-yl}acetic acid 450.0185553 1.8199 M-H 15949395 - --
6-Chloro-2-(2-chloroethyl)-1H-benzimidazole 214.0064537 11.4445 2M-2H+Na 16767313 - --
Glycyl-H 1152 dihydrochloride 448.1102669 2.7261 M+Cl 56972177 - --
Cl-amidine 310.1196537 8.1553 M-H 24970878 - --
Brexpiprazole 433.1823979 3.741 M+NH4-2H 11978813 - --
Benzo[b]thiophene-2-carboxamide,3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]- 489.164161 2.4113 M+Cl 5284330 - --
Pyrrolidino PAF C-16 549.3794404 9.0702 M+F 57545133 - --
Antazoline 265.1578977 5.7218 M+Cl+NaCOOH 2200 - --
Coumarin 146.0367795 2.7472 M+HCOO 323 C05851 ko00999,ko01110
Diphenylmethanol 184.0888151 3.0513 2M-2H+Na 7037 - --
Valyl-Hydroxyproline 230.1266572 2.9219 3M-2H 10242944 - --
3-Methyl-1-(4-nitrophenyl)-1H-pyrazol-5-ol 219.0643912 7.4287 M-H-CH2 721996 - --
Thr-Met 250.0987279 3.3566 M-H 7020165 - --
Neochlorogenic acid 354.0950823 2.3187 M-H 5280633 C17147 --
Pevonedistat 443.1627251 0.7686 M+Cl 16720766 - --
4',8-Dimethylgossypetin 3-glucoside 508.121691 3.4953 M+CH3COO 131752227 - --
5-methoxy-1H-indazole-3-carboxylic Acid 192.0534922 1.3594 M+Cl 10375306 - --
O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose 748.2749569 0.9762 M+Cl 22833581 - --
Bicalutamide 430.0610406 3.8174 M+HCOO 2375 C08160 --
(2Z)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-5,6-dioxonaphthalen-2-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid 650.0696555 8.5518 M-H 131751403 - --
Gossypol 518.1940681 5.9389 M- 3503 C07667 ko00909,ko01110
Amylose - 1.5355 M-H 53477771 C00718 ko00500,ko01100,ko01110
Polyvinyl chloride 61.99232783 1.1066 M+Cl 6338 C19508 --
Lobeline 337.2041792 1.2289 M+K-2H 101616 C07475 ko00960,ko01110
Mandelic acid 152.0473442 3.193 M-H 1292 - --
Pseudobaptigenin 282.0528235 6.1261 M-H 5281805 C10522 ko00943,ko01110
1-Naphthol 144.0575149 6.5346 M+HCOO 7005 C11714 --
Methyl 3,4,6-tri-O-galloyl-beta-D-glucopyranoside 650.1119143 9.88 M-H 13270027 - --
(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid 182.0579089 6.4963 M+F 440177 C03964 ko00130,ko00350,ko01100,ko01110
Perrotetin F 442.1780241 4.3822 M-H 11953464 - --
9S-HOTrE 294.2194949 8.4144 M-H 6439873 - --
[2-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(4-hydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone 632.2410183 11.3602 M+Cl 118886998 - --
Kuwanon R 662.251583 4.5514 M-2H+Na 72547804 - --
Kuwanon V 646.2566684 4.8285 3M-2H 72550349 - --
Hypoxylone 332.0684736 2.9903 2M-H 442747 C10355 --
LPE(18:1/ 0:0) 479.30119 8.7498 M-H 9547071 - --
2-Phloroeckol 496.0641761 5.169 M+Cl+HCOOH 5320532 - --
1,3-Dichloro-5-ethyl-5-methylhydantoin 209.996283 1.3364 M+Cl 62299 - --
Anthemis glycoside B 735.2374491 2.3341 M-H-C2H4 11953899 C08327 --
5-[4-(4-Hydroxyphenyl)phenyl]benzene-1,3-diol 278.0942944 1.6935 M-H 11630507 - --
Theasinensin C 610.1322557 6.8792 M-H 467317 - --
Epigallocatechin 3,3',-di-O-gallate 610.0958702 7.8529 M+CH3COO 467300 - --
2'-Deoxyinosine 252.0858549 3.7104 M+Cl 135398593 C05512 ko00230,ko01100,ko01232,ko02010
Erythorbic acid 176.0320881 0.4608 M+HCOO 54675810 C20364 --
Kandelin A-1 740.1741206 3.1881 M-H 442686 - --
8-Hydroxy-2'-deoxyguanosine 283.0916686 4.9212 2M-H 135440064 - --
Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside 498.1009556 2.3649 M+HCOO 73157785 - --
4,6-Dibromo-3-benzoyl-5-hydroxybenzofuran 395.8820486 0.754 M-H-C2H4 1207797 - --
Kuwanon L 626.178812 1.3058 M+CH3COO 184877 - --
Beraprost sodium 420.1912669 3.9847 M-H+HCOOH 23663404 - --
(4'-Fluoro[1,1'-biphenyl]-2-YL)methanamine 201.0953776 3.257 M-H+NH3 3770185 - --
2-Benzylsuccinic acid 208.0735589 2.5789 M-H2O-H 3858 - --
(D-Pen2,D-Pen5)-Enkephalin 645.2290902 10.8612 M+Cl+NH3 104787 C20164 --
ent-Fisetinidol-(4beta->8)-catechin-(6->4beta)-ent-fisetinidol 834.2159854 6.6955 M-H 442680 C10225 --
2-(5-amino-1H-tetrazol-1-yl)acetohydrazide 157.0712079 4.7514 M+Cl 16765167 - --
Ciceritol 518.1846853 10.9615 M+Cl 10142653 - --
cyanidin 3,3',5-tri-O-glucoside 773.2140337 4.1076 M+Cl 441681 C08629 --
Tomelukast 318.1691907 9.101 M+Cl+HCOOH 3969 - --
6,6'-Bieckol 742.0806141 0.9149 M-2H+K 137388 - --
GW 6471 619.2657914 5.9855 M-H+NaCOOH 446738 - --
Dinoseb 240.0746216 6.6648 M-H 6950 C14302 --
2-Furoic acid 112.016044 1.1524 3M-2H 6919 C01546 ko01100
Indole-3-acetamide 174.079313 2.3494 M-H+HCOOH 397 C02693 ko00380,ko01100
Desmethylsertraline 291.058155 9.8789 2M-H 114743 - --
Acrivastine 348.1837781 5.7062 M-H 5284514 - --
Fostriecin 430.1392696 7.4437 2M-2H+Na 6913994 - --
F-Amidine (trifluoroacetate salt) 408.1420681 5.0448 2M-H 11589583 - --
2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 582.2312415 3.8933 M-H 14521083 - --
alpha-Bag Cell Peptide (1-7) 921.518471 0.7221 M-H 349928632 - --
Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-catechin 882.2007293 5.7375 M+CH3COO 131752348 - --
Gallocatechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin 914.1905586 4.7056 M-H 71664720 - --
Myricatin 552.0209907 1.1373 M-H 73829914 - --
5-(1h-Pyrrolo[2,3-B]pyridin-3-Ylmethyl)-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine 382.1405313 1.643 M-H-C5H8O4 11545419 - --
Ivacaftor 392.2099929 3.5262 M-H 16220172 - --
Trametinib 615.0778806 3.7716 M+Cl+NH3 11707110 - --
Tyr-Asp 296.1008363 6.5116 M+CH3COO 9817652 - --
Albanol B 558.1314678 3.7716 M-H 480819 - --
Bis-5,5-nortrachelogenin 746.2574563 3.4798 M-H+NaCOOH 11542274 - --
Idelalisib 415.1556865 3.036 M+Cl 11625818 - --
L-Arabinose 150.0528235 0.738 M+HCOO 439195 C00259 ko00040,ko00053,ko00520,ko01100,ko01250,ko02010
1,2,3-Trihydroxybenzene 126.0316941 2.1193 2M-H 1057 C01108 --
Phthalide 134.0367795 2.5942 M+CH3COO 6885 - --
Isosorbide dinitrate 236.0280653 3.8327 2M+Cl 6883 C07456 --
Homotropine 275.1521436 1.7581 2M+Cl 3623 - --
Diderroside 464.1529912 5.6361 M+Cl 23760099 - --
Sodium pantothenate 241.0926154 2.3676 3M-H 23679004 - --
3,4-Di-O-galloylquinic acid 496.0853055 2.3129 2M-H 460895 - --
Prodelphinidin B 610.1322557 4.2744 M-H 5089687 - --
Artonin K 382.105253 5.2172 M+CH3COO 15340661 - --
3,3',5-Trihydroxybibenzyl 230.0942944 4.0155 M+HCOO 21574990 - --
Imibenconazole 411.9898264 2.5942 M-H2O-H 93483 C18468 --
Apigenin 7-(6''-malonylglucoside) 518.106041 5.5371 M+Na-2H 5281602 C10020 --
2-(2-bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone 385.08668 8.3534 M-H-CO2 44397335 - --
Dasatinib monohydrate 505.1662863 8.673 M-H-CH3 11540687 - --
4-Desmethoxy-4-chloroomeprazole 349.0651752 5.0139 M+Cl 20695566 - --
HMB-Val-Ser-Leu-VE 505.2788008 7.1536 M+CH3COO 11752486 - --
1-Naphthoic acid 172.0524295 3.9541 M+CH3COO 6847 - --
Inosine diphosphate 428.0134314 6.7721 M-H 135398651 C00104 ko00230,ko01100,ko01232
Robinetinidol-(4alpha->8)-catechin-(6->4alpha)-robinetinidol 866.2058147 3.6492 M-H 442689 - --
Lenvatinib mesylate 522.0975976 5.0061 M+Cl+HCOOH 11237762 - --
7-Hydroxy-3-methoxy-1-primeverosyloxyxanthone 552.1479058 4.7514 M+Cl+CF3COOH 14162678 - --
4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 8-chloro-6-(2-chlorophenyl)-1-((methylthio)methyl)- 388.0316226 8.445 3M+2Cl 1032812 - --
Temozolomide 194.0552235 5.0139 M-H-C2H4 5394 - --
(+)-Ostodin 602.3090979 9.0547 M-H-CO 73852570 - --
Poly(galactosylglycerol phosphate) 334.0664986 3.1729 M+Cl 440418 C04641 --
Ajicef 692.0971253 4.5359 M-H 443996 - --
3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione 277.9916759 0.9073 M+Cl 2817752 - --
3-O-alpha-D-Glucopyranuronosyl-D-xylose 326.0849116 0.8461 M+K-2H 131752710 - --
5-{[2-(Trifluoromethyl)phenyl]amino}-1,3,4-thiadiazole-2-thiol 276.9955233 0.9379 M+Cl+CF3COOH 4962083 - --
(Z)-7-[(2E,5S)-5-Hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid 334.2144096 5.0295 M+K-2H 9945613 - --
(1R,14R)-14-(ethylsulfanyl)-1-fluoro-17-hydroxy-2,15-dimethyl-14-(methylsulfanyl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one 410.17495 9.5157 M-H 55320 - --
1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide 390.237939 10.5173 M-H-CH4 4860011 - --
cinchonain Ib 452.1107324 2.8237 2M-H 442675 - --
Guanosine-5'-monophosphate 363.0579995 1.643 M-H 135398631 C00144 ko00230,ko01100,ko01232
Clomeprop 323.0479842 1.1373 M-H+CF3COOH 93482 - --
Flumipropyn 347.0724494 2.3804 M+Cl+CF3COOH 158434 C10993 --
N-(2-aminoethyl)isoquinoline-5-sulfonamide 251.0728474 4.7208 M-H+HCOOH 3544 - --
2-[3-[(4-Fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid 416.1206062 3.0913 M+F 11384493 - --
3'',4''-Diacetylcosmosiin 516.1267764 7.2609 M+Cl+NH3 74977525 - --
(2,4-Dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone 580.1733327 7.1002 M-H 72549442 - --
Albafuran A 378.1831094 2.1652 M+Cl 5281297 C08732 --
2-[(6S,6aR,10aR)-1-hydroxy-3-(6-hydroxy-1-benzofuran-2-yl)-7,7,9-trimethyl-6,6a,8,10a-tetrahydrobenzo[c]chromen-6-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol 616.2097182 9.0547 M-H 102150173 - --
Enoxacin Sesquihydrate 694.2886315 3.0819 M+Cl+CF3COOH 24840537 - --
Raclopride 346.085098 2.2728 M-H 3033769 - --
Gerberinol 364.0946883 2.1806 2M-H 54714260 - --
2-(Morpholin-4-yl)ethyl 2,4-dihydroxybenzoate 267.1106727 2.7931 M-H 824673 - --
Enobosarm 389.098726 3.0207 M-H 11326715 - --
(4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate 299.0072238 0.386 M- 217 C04752 ko00730,ko01100,ko01240
Menadiol diphosphate 334.0007415 0.386 M-H2O-H 8556 - --
Trimeprazine 298.1503695 2.8539 M+Cl 5574 C07172 --
4-Methoxy-1-naphthol 174.0680796 6.8193 M-H 66542 - --
Bis(2-hydroxyethyl) phthalate 254.0790383 2.8839 M+Cl+NaCOOH 66539 C76700 --
Cytidine 3'-monophosphate 323.0518515 3.3107 M-H 66535 C05822 ko00240,ko01100
Rutaecarpine 287.1058621 5.7218 M-H 65752 C09238 --
3'-Aenylic Acid 347.0630849 1.7504 M-H - C01367 ko00230,ko01100
Dienestrol diacetate 350.1518093 1.9047 M-H-C6H8O6 5805243 - --
Mometasone furoate 520.1419443 10.6905 M-H 441336 C07817 --
Prunus inhibitor b 560.1318618 2.0129 M-H 14586216 - --
7-chloro-3-hydroxy-3-(2-oxo-2-thiophen-2-ylethyl)-1H-indol-2-one 307.0069917 0.5746 M-H+CF3COOH 339267 - --
Daphneticin 386.1001677 4.9984 2M-H 158341 C09924 --
4-Methoxyglucobrassicin 478.0715865 2.3649 M-H 656563 C08423 --
1,3,7,8-Tetramethylxanthine 208.0960257 9.9539 M+Cl 64115 - --
Teflubenzuron 379.9742458 0.9838 M-H+CH3CN 91734 C18437 --
Sultamicillin tosylate 766.164835 8.4297 M+Cl+NaCOOH 444021 - --
Epigallocatechin 3-O-(3-O-methyl)gallate 472.1005616 5.1535 2M-H 9804842 - --
Tricin 7-diglucuronoside 682.138129 8.5518 M-H-C6H8O6 131752191 - --
Indole-3-propionic acid 189.0789786 6.0165 2M-H 3744 - --
3-Cresotinic acid 152.0473442 4.9722 M-H 6738 C14088 --
2,4,6-Trihydroxybenzoic acid 170.0215234 2.3494 M-H 66520 - --
Pindone 230.0942944 6.3417 M-H 6732 C19141 --
(3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate 480.0903909 2.8007 M-H 14464334 C17520 --
Echinacoside 786.2582442 2.9751 M+Cl 5281771 - --
Benzofenap 430.085098 5.49 M+CH3COO 94686 C18555 --
28-Homobrassinolide 494.3607395 7.7921 M-H 11038340 - --
Trimethylsilyl nonanoate 230.1702073 10.3362 M+Cl 522774 - --
Furan-2,5-dicarbaldehyde 124.016044 1.7811 3M-2H 69980 C20899 --
Methyl 10-acetyloxy-3,4-dihydroxy-1,16-dimethyl-11,19-dioxo-6,12,20-trioxahexacyclo[13.7.0.02,8.05,9.08,13.017,21]docosa-17,21-diene-5-carboxylate 504.1631619 7.3069 M+2Cl 5201 - --
Tetracenomycin A2 422.1001677 5.4748 M+CH3COO 134024 - --
Lumefantrine 529.152548 9.8639 M-H 6437380 - --
Epalrestat 319.0336847 0.754 M+Cl 1549120 - --
Amflutizole 288.0180329 7.2915 3M+2Cl 54833 - --
Ephedrannin A 556.1005616 4.8595 M-H+CH3CN 21676348 - --
Buclizine 432.2332269 9.1783 M-H 6729 C07777 --
8-Anilino-1-naphthalenesulfonic acid 299.061614 1.9665 M-H 1369 C11326 --
Rottlerin 516.178418 1.1676 M-H 5281847 - --
Lancerin 406.0899969 4.7208 2M-H 5281645 C10075 --
2-Methyl-3-(pyrimidin-2-YL)propanoic acid 166.0742276 4.336 M-H 42614418 - --
Melitin 902.2692029 8.5419 M-H+NaCOOH 5488723 - --
Clomazone 239.0713065 11.0688 2M-H 54778 C11095 --
3'-N-Acetylneuraminyl-N-acetyllactosamine sodium salt 696.2201201 4.9212 M+Cl 102601300 - --
Ketoleucine 130.0629942 2.4268 M+CH3COO 70 C00233 ko00280,ko00290,ko00966,ko01100,ko01110,ko01210,ko01230
1,2,4,5,7-Pentathiocane 201.9073037 0.754 3M-2H+K 522753 - --
Sedoheptulose 1,7-bisphosphate 370.0066148 4.813 M-H 164735 C00447 ko00710,ko01100,ko01200
Dihydroartemisinin 284.162374 3.741 M-H 456410 - --
6,8-Di-C-glucopyranosylnaringenin 596.1741206 8.065 M-H 14427359 - --
Fluroxypyr-meptyl 366.0913263 3.8327 2M-2H+Na 54745 - --
Acetylvalerenolic acid 292.1674594 8.9779 M+Na-2H 6439585 - --
Imazaquin 311.1269915 6.7415 M- 54739 C05076 --
Patellamide C 762.2981728 4.6596 M+CH3COO 9767970 - --
Cisapride 465.1830625 9.4297 M+Cl+HCOOH 2769 C06910 --
Pravastatin 424.2461037 6.4193 M-H 54687 C01844 --
Gossypetin 8-glucuronide 3-sulfate 574.02647 3.8021 M-H 73829986 - --
gamma-Tomatine 739.4506768 8.9932 M-H 57341159 - --
Phenolphthalin 320.1048591 7.8073 3M-2H+Na 66494 - --
Red Violet 2RN Acid Anthraquinone 343.084458 4.6441 2M-H 222169 - --
1,4-Diamino-2,3-dichloroanthraquinone 305.996283 0.7852 M-H 65731 - --
Roxadustat 352.1059217 3.3218 M-H 11256664 - --
Kaempferol 3-sophorotrioside 772.2062086 7.8529 M-2H+Na 5282156 C12635 ko00944,ko01110
3,3',4',5,7-Pentahydroxyflavan(4->8)-3,4',5,7-tetrahydroxyflavan 562.1475118 3.2954 M-H 14015946 - --
5-O-Methylvisamminol 290.1154238 6.049 2M+Cl 441970 C09016 --
Sanggenone C 708.2206768 2.5942 M-H 442458 C09834 --
Grossamide 624.2471663 5.9855 M-H 5322012 - --
Nitrovin 360.0818322 2.9192 2M-H 6252910 C19487 --
Turgorin 411.0233364 6.125 M-H 442990 C10837 --
Quinoline Yellow 273.0789786 3.1729 M-H 6731 - --
1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose 788.1072228 3.4489 M-H 73178 C04516 --
rac-trans-Sertraline 305.073805 6.9252 3M-2H+Na 9882979 C90546 --
Tellimagradin I 786.0915728 7.032 M+HCOO 73179 - --
Sceptrin 620.0431501 5.4755 M-H 157394 C17166 --
Etobenzanid 339.0428989 9.0547 M-H 12771065 C18500 --
Leukotriene E3 441.2548942 8.6577 M-H 6440643 - --
15,18-Ethano-3,25-methano-16,4-benzoxaazacyclotricosine-1,5,17,21,26(4H,18H)-pentone, 10,11,12,13,14,15-hexahydro-11,13,22,24,27-pentahydroxy-6,10,12,14,20,23,28-heptamethyl-, (10S,11S,12R,13S,14S)- 651.2679614 5.9855 M-H-C2H4 6451082 - --
Z-Ala-asp-OH 338.111401 5.0913 M-H 6993141 - --
4-Phenyl-2-(piperazin-1-yl)quinazoline 290.1531466 0.754 M-H+NaCOOH 3763388 - --
3''-O-Caffeoylcosmosiin 594.1373411 5.846 M-H 131752171 - --
Cefixime 453.0412893 2.3187 M-H+CH3CN 5362065 C06881 --
Gallocatechin-(4alpha->8)-epicatechin 594.1373411 2.0129 M-H 11527214 - --
Latinone 360.0997737 2.5789 2M-H 10021410 - --
[Gallocatechin-(4alpha->8)]2-catechin 898.1956439 5.7232 M-H 14890508 - --
Pyrroloquinoline quinol 332.0280653 3.588 M-H 135398668 C01359 --
Gallocatechin-(4alpha->8)-catechin-(4alpha->8)-catechin 882.2007293 6.5882 M+CH3COO 131752347 - --
Chamissonolide 324.1572886 2.1713 M+Cl 10019140 - --
4-methyl-N-(4-nitrophenyl)piperazine-1-carbothioamide 280.0993965 2.3187 3M+Cl 2896320 - --
Plantagoside 466.1111263 2.6476 M-H 174157 C17531 --
Iresinin I 870.217836 5.138 M+Cl 11953907 C08550 --
3-Oxododecanoyl-CoA 963.26154 5.9389 M-H-C5H8O4 440604 C05263 ko00062,ko00071,ko01100,ko01212
Ginsenoside Rh2 622.4444692 11.2066 M-H 119307 C22128 --
Tribufos 314.0961647 2.227 2M+Cl 5125 - --
Dioxathion 456.0087455 8.216 M+Cl 6531 C17877 --
Epigallocatechin-(4beta->8)-catechin 594.1373411 3.2801 M-H 13831061 - --
Doxazosin mesylate 547.1736838 2.9449 M+Cl 62978 C76492 --
Gilvocarcin V 494.1576826 8.0045 M-2H+Na 334288 - --
Dihydromacarpine 393.1212374 4.6596 M+CH3COO 440631 C05316 ko00950,ko01100,ko01110
Occidentoside 704.1741206 3.9389 M-H 6440594 - --
Rheinanthrone 270.0528235 8.1856 M+Cl 119396 - --
3,5-bis(difluoromethyl)-1H-pyrazole 168.031061 3.588 M+Cl 7019433 - --
3-(2,6-Dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carboxylic acid 299.0115987 5.1923 M+Cl 64157417 - --
2-Hydroxy-3-(trifluoromethoxy)benzoic acid 222.0139934 2.0437 2M-3H 12179655 - --
Wairol 312.0633882 7.3069 M-H 5488650 - --
Methyl 4-bromo-2-(methylsulfonyl)benzoate 293.9384444 0.738 3M-2H 53393139 - --
(2S,3S,4S,5R,6S)-6-[[(4S,4aS,7aR,12bS)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 477.1634962 4.8751 M+Cl 71751422 - --
5'-Methoxybilobetin 582.1162117 9.2398 M-H 5319411 - --
Citric acid 192.0270027 0.8461 M-H 311 C00158 ko00020,ko00250,ko00630,ko01100,ko01110,ko01200,ko01210,ko01230,ko01240
Methsuximide 203.0946287 4.3515 M-H 6476 - --
Phenolphthalein 318.089209 3.152 M+F 4764 - --
1-N-Boc-4-(4-Bromophenyl)piperidine 339.0833901 6.6341 M-H-COCH2 27281782 - --
Ddhads 570.1867299 4.0616 M-H+CF3COOH 23685777 - --
Beiwutine 647.2941761 0.6435 3M-2H 21627927 C08663 --
Pelargonidin 271.0606485 6.4503 M- 440832 C05904 ko00941,ko00942,ko01100,ko01110
Camptothecin 348.1110071 2.1961 M-H2O-H 24360 C01897 ko00996
2-deoxy-5-O-phosphono-D-erythro-pentose 214.0242398 4.7821 M+CH3COO 150629 - --
Thymonin 360.0845176 4.7208 M-H 442662 C10191 --
Cyclic guanosine monophosphate 345.0474348 6.6495 M-H 135398570 C00942 ko00230,ko01100
Divalproex sodium 310.2120023 7.7692 2M-2H+K 23663956 C76453 --
Chalcomoracin 648.2359329 3.5571 M-H-NH3 434768 - --
1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione 406.086445 0.3318 M-H-C4H8 9887588 - --
Dihexylphosphinic acid 234.1748672 4.9828 M-H+CF3COOH 82097 - --
3-Methylbutyl glucosinolate 389.0814229 1.982 M+NH4-2H 131752360 - --
Gambiriin C 562.1475118 6.1095 M-H2O-H 156680 - --
Dehydroxymethylflazine 278.0691422 2.96 3M-H 5488120 - --
All-trans-heptaprenyl diphosphate 654.3814285 8.5064 M-H 5280658 C04216 ko00900,ko01110
Nigerone 570.1525972 2.5428 M-H 149547 - --
Triamcinolone acetonide 434.2104671 4.5978 M+Cl 6436 C08183 --
11-Hydroxycanthin-6-one 236.0585775 2.7931 M+Cl 337601 C09212 --
alpha-Ketoisovaleric acid 116.0473442 1.7965 M-H 49 C00141 ko00280,ko00290,ko00770,ko00966,ko01100,ko01110,ko01210,ko01230,ko01240
Auriculoside 450.1525972 5.5051 2M-2H+K 442260 C09478 --
2,5-Difluorobenzyl alcohol 144.0386713 5.1069 3M-H+Cl 522599 - --
Enalapril 376.1998221 4.8906 M-H 5388962 C06977 --
leukotriene E4 439.2392441 1.2596 M+Cl 5280879 C05952 ko00590,ko01100
Leflunomide 270.0616122 6.7874 2M-H 3899 C07905 --
10-Acetoxytoxol 276.0997737 1.3824 M+F 131750993 - --
2-Methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene 314.1306799 4.7975 M-H+CF3COOH 235616 - --
Kuwanon G 692.2257622 5.2076 M-H 5281667 - --
Chaetochromin 546.1525972 0.9838 M-H 53277 - --
Regorafenib 482.076881 6.094 M+Cl+CF3COOH 11167602 - --
beta-Nicotinamide ribose monophosphate 335.0644276 1.122 M+F 14181 C00455 ko00760,ko01100
Alpha-Phosphoribosylpyrophosphoric Acid 389.9518163 1.1066 M-H 7339 C00119 ko00030,ko00230,ko00240,ko00340,ko00400,ko00790,ko01100,ko01110,ko01200,ko01230,ko01232,ko01240
phenylacetyl-CoA 885.1570749 3.7104 M+CH3COO 165620 C00582 ko00360,ko01100
7-Hydroxy-6-methoxyisoflavone 268.0735589 6.3192 M- 21676187 - --
Xanthorhamnin 770.2269441 2.3005 M-H 5351495 - --
Manoalide 416.2562744 9.2302 2M-H 6437368 C17156 --
Dimethyl sulfide 62.01902091 0.4458 M-H 1068 C00580 ko00920,ko01100
2-(2,4-Dichlorophenyl)-3-(4-(dimethylamino)phenyl)acrylonitrile 316.0534039 4.8285 M-H+Cl 901346 - --
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyhexanethioate 881.1832897 2.4732 M-H 440609 - --
Cefpiramide sodium 634.1028793 3.4953 M-H+HCOOH 23663969 - --
4-Acetamidobutanoyl-CoA 894.1785386 3.8532 M-2H+K 194623 C03357 --
CID 23679441 576.0279998 4.0924 M-H 23679441 - --
Aloeresin A 540.1631619 4.7975 M-H 5317657 C17781 --
6-(Methylsulfonyl)hexyl glucosinolate 481.074623 3.8933 M-H 131752359 - --
Metadoxine 298.1164864 5.675 M-H 115198 - --
1D-myo-inositol 1,4-bisphosphate 339.9960501 8.065 M+HCOO 439444 C01220 ko00562,ko01100,ko04070
D-Inositol 1,4-diphosphate 339.9960501 1.1373 M+F 439444 C01220 ko00562,ko01100,ko04070
Platelet activating factor 523.3637903 10.8227 M-H 108156 - --
Cefotetan disodium 618.9660288 1.122 M-H 53024 - --
Triptophenolide 312.1725447 10.2092 M-H 173273 - --
3-Chloro-L-tyrosine 215.034921 2.4577 2M-H 110992 - --
PDK1 inhibitor AR-12 460.151096 8.11 M-H 10027278 - --
Uplandicine 357.1787524 4.8906 M-H 156778 C10412 --
7,3'-Di-O-methylisoorientin 476.1318618 5.1224 M-H 25002956 - --
Bisdethiobis(methylthio)gliotoxin 356.0864486 5.3071 M-H 194564 - --
Bissalicyl fumarate 356.0532175 3.7869 M-H+CH3CN 16667734 - --
Protoporphyrinogen 568.3049559 8.3079 M-H2O-H 121893 C01079 ko00860,ko01100,ko01110,ko01240
Loquatoside 438.1162117 3.1729 2M-H 156269 - --
O-phospho-D-serine 185.0089241 6.6648 M-H+CH3CN 439747 C02532 --
2-[(5-Chloro-1,3-benzothiazol-2-yl)sulfanyl]acetic acid 258.9528476 1.0681 M-H+HCOOH 746048 - --
Meclocycline sulfosalicylate 694.0871522 10.2321 M-H 54676538 - --
2H-Azepin-2-one, 1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro- 356.1736074 1.5432 M-H 81857 - --
Relugolix 623.1762442 1.6277 M+Cl+CF3COOH 10348973 - --
Granatin A 784.0759227 7.8403 M-H 131752596 - --
(E)-Ethyl 3-(4-hydroxyphenyl)acrylate 192.0786443 3.1881 M+CH3COO 676946 - --
Mevalonate 5-phosphate 228.0398899 1.7274 2M-H 439400 C01107 ko00900,ko01100,ko01110
7-Acetyllycopsamine 341.1838377 4.3269 M-H 156006 - --
Corymboside 564.1479058 3.3107 M-H 13644660 - --
alpha-Dimorphecolic acid 296.235145 8.8674 M-H 5312830 C14767 ko00591
(+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione 322.0841236 4.5206 2M-H 160887 - --
Quercetin 7-(rhamnosylglucoside) 610.1533851 6.1406 M+HCOO 5488542 - --
Manniflavanone 590.106041 11.2374 M-H 198549 C09763 --
4-amino-5-tert-butyl-4H-1,2,4-triazole-3-thiol 172.0782671 1.1373 M-H-C2H4 2393252 - --
cis-Moxifloxacin acyl-beta-D-glucuronide 577.2071726 1.8273 M+Cl 46782402 - --
Dihydralazine sulfate 288.0640737 10.6463 M-H 81764 C76337 --
Melatonin 232.1211778 2.7319 M+Cl+HCOOH 896 C01598 ko00380,ko01100,ko01110
L-Tryptophan 204.0898777 2.3341 M-H 6305 C00078 ko00260,ko00380,ko00400,ko00901,ko00966,ko00970,ko00996,ko01100,ko01110,ko01210,ko01230,ko01240
Pyrroloquinoline quinone 330.0124153 0.5982 M+NH4-2H 1024 C00113 --
Uridine diphosphate-N-acetylgalactosamine 607.0815707 1.1373 M-H+HCOOH 1167 - --
L-Sorbose 180.0633882 0.8155 M-H2O-H 439192 C00247 ko00051,ko01100
Ubiquinone-1 250.1205092 5.8926 2M-2H+Na 4462 C00399 ko00190,ko01100,ko01240
Bactobolin 382.0698419 2.6865 M-H 54676871 - --
Dantrolene 314.0651195 2.839 M-H 6914273 C06939 --
CID 21723007 482.1212971 4.9517 M-H 21723007 - --
Felodipine 383.0691136 6.396 M+HCOO 3333 - --
Oenin 493.1346014 4.1381 M-H 443652 C12140 ko00942
Tyr-Pro-Phe 425.1950711 3.4399 M-H+CF3COOH 4670740 - --
Phe-gly 222.1004424 2.4518 M+Cl 6992304 - --
(1-methyl-1H-pyrazol-5-yl)boronic acid 126.0601393 4.7514 M+Cl 11182610 - --
Spiro(5.5)undec-3-en-1-one, 4,8-dibromo-9-chloro-2,5,5,9-tetramethyl-, (2R,6S,8R,9R)-rel-(+)- 411.96265 7.9292 M-H 156247 C17181 --
Henryoside 584.1741206 4.336 M+Cl 14311135 - --
Leiocarposide 614.1846853 7.3835 M+Cl 156073 - --
11beta-Chloromethylestradiol 320.1543079 6.6188 M-H 67088 - --
Nafcillin sodium monohydrate 454.11745 6.9252 M+CH3COO 23704143 - --
17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate 440.3402788 9.6988 M-H+HCOOH 252290 - --
1-O-(4-Coumaroyl)-beta-D-glucose 326.1001677 2.4268 2M-H 14158117 - --
6''-O-Acetyldaidzin 458.1212971 4.9673 M- 156155 - --
L-Histidine 155.0694766 0.7061 M-H 6274 C00135 ko00340,ko00410,ko00470,ko00970,ko01100,ko01110,ko01230,ko02010
(3S)-versiconol acetate 402.0950823 1.2519 M+Na-2H 71296147 C20506 ko00254,ko01110
luteolin-7-O-gentiobioside 610.1533851 4.0309 M+F 14032967 - --
Troxerutin 742.2320294 5.2918 M+Cl 5486699 - --
Chicoric acid 474.0798262 4.5514 M-H2O-H 5281764 C10437 --
Silandrin 466.1263824 2.6406 2M-H 441663 C08600 --
(+)-Silymonin 466.1263824 5.0139 2M-2H+Na 156051 - --
N-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamine 246.0923762 5.9002 M-H 254197 - --
(R)-1-(tert-Butoxycarbonyl)-2-(4-fluorobenzyl)pyrrolidine-2-carboxylic acid 323.1532865 2.7778 M+Cl 2761832 - --
Laserpitin 450.2617537 7.1689 M-H 5281524 C09697 --
Sudachiin A 522.1373411 3.6492 M-H 73829938 - --
3'-Hydroxyflavone 238.0629942 2.0052 2M-H 229015 C20871 --
Pefloxacin mesylate 429.1369845 8.7191 M-H 119525 - --
N-[3-[[5-Iodo-4-[[3-[(2-thienylcarbonyl)amino]propyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide 591.0913419 3.588 3M-2H 10077147 - --
Sciadonic acid 306.2558805 10.8382 M+CH3COO 445084 - --
Glutathione 307.0838061 1.1373 M-H2O-H 124886 C00051 ko00270,ko00480,ko01100,ko01240,ko02010
Trifluridine 296.0620062 3.5107 M-H+CH3CN 6256 - --
Petunidin 3-glucoside 479.1189514 4.7361 2M-H 443651 C12139 ko00942
Fusidic acid 516.3450895 7.7768 M+CH3COO 3000226 C06694 --
Swertiajaponin 462.1162117 5.551 M-H 442659 C10187 --
Kasugamycin 379.1590796 4.3051 M-H 65174 C17968 --
1-Octadecanoyl-sn-glycero-3-phosphoethanolamine 481.3168401 8.7191 M-H 9547068 - --
Cefotetan 575.0021434 1.6737 M-H+NH3 53025 C06886 --
6-(2-Chloroallylthio)purine 226.0079947 1.6891 2M-H 3247797 - --
2-(4-Ethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one 386.1365532 3.418 M+Cl 249699 - --
3-[(2,4-Dichlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one 367.0166841 0.7697 M-H 249679 - --
2',3'-Dideoxyinosine 236.0909403 0.7697 M- 135398739 C06953 --
Benzenesulfonamide, 4-amino-N-(4-iodophenyl)- 373.9585963 0.8766 M+Cl 247908 - --
5,6,7,8,3',4',5'-Heptamethoxyflavone 432.1420325 5.846 M-H 72815 - --
Quercetin 3-(2-galloylglucoside) 616.1064349 3.9693 M-H 13889202 - --
Estra-1,3,5(10),16-tetraen-3-ol benzoate 358.1932802 3.2801 M-H-H2O 248015 - --
Thymopentin 679.3653244 8.1553 M-H2O-H 451417 - --
Afplef-OH 722.3639274 7.6401 M-H-CO2 121235584 - --
1,7-Dimethylguanosine 311.1229688 1.8892 M-H-CH2 160130 - --
1-[(2-Aminoethyl)sulfanyl]-4-bromobenzene 232.9696259 0.4533 M-H-COCH2 420615 C78402 --
Pentitol 152.0684736 1.1676 M-H2O-H 827 - --
Ethyl 4-(benzoylcarbamothioylamino)benzoate 328.0881632 1.6584 M+Cl 708478 - --
Malic acid 134.0215234 0.8531 M+Na-2H 525 C00711 | C03668 --
5-(dithiolan-3-yl)-N-[3-[5-(dithiolan-3-yl)pentanoylamino]propyl]pentanamide 450.1503113 5.9881 2M+Cl 10433927 - --
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid 298.0477381 6.0165 M-H 14379528 - --
4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)- 256.0735589 4.2133 M-H 1889 - --
Creatinolfosfate 197.0565429 6.3417 2M-H 23342 - --
Xanthine 152.0334254 1.1981 M-H 1188 C00385 ko00230,ko00232,ko01100,ko01110,ko01232
Ampicillin 349.1096269 11.3525 2M-H 6249 C06574 --
7-Deazaadenosine 266.101505 8.065 M-H2O-H 6245 - --
DL-Glutamine 146.0691422 0.738 M+Cl+NaCOOH 738 C00303 --
Gallocatechin-(4alpha->8)-epigallocatechin 610.1322557 4.336 M- 442682 - --
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide 273.0935829 1.1373 M-H 2539471 - --
alpha-Phocaecholic acid 424.2824892 5.9079 M+Cl 193429 C17651 --
9-Fluoro-11-oxotestololactone 332.1423875 2.6097 M-2H+Na 253326 - --
Kolaflavanone 588.1267764 4.7667 M-H 155169 C09761 --
PX-478 free base 320.069448 1.4099 M-H-CH2 11234795 - --
3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea 363.125277 5.2918 M+CH3COO 2810413 - --
Cilostamide 342.1943428 3.3413 M+Cl 2753 - --
mollicellin F 432.0611954 11.2253 M-H 152841 - --
Edulone A 414.1314678 0.9379 M+K-2H 13894316 - --
Ceftizoxime 383.03581 1.1828 M+Cl+NaCOOH 6533629 C06890 --
Amlexanox 298.095357 3.2646 M-H 2161 - --
Zonisamide 212.0255629 1.7274 M+CH3COO 5734 C07504 --
Lonchocarpol A 408.1936741 10.8074 M-H 124035 C09724 --
GW4869 dihydrochloride 576.1807298 1.122 M-H+NaCOOH 16078967 - --
Delamanid 534.1726193 1.7734 M+Cl+HCOOH 6480466 - --
Versicolorin A 338.0426528 0.8461 2M-H 638297 C20583 ko00254,ko01100,ko01110
s-(p-Nitrobenzyl)glutathione 442.1158345 4.7056 2M-H 97538 - --
Oxazepam glucuronide 462.0829934 4.1076 2M-H 160870 - --
N-Acetylproline 157.0738933 4.0924 M-H 66141 - --
(-)-Gallocatechin gallate 458.0849116 3.4644 M-H2O-H 199472 - --
Aurantio-obtusin 330.0739529 4.906 M+CH3COO 155011 C17670 --
Epicatechin-(4beta->8)-gallocatechin 594.1373411 2.7016 M- 14284599 - --
cis-3-Hexenal 98.07316498 3.8174 M+Na-2H 643941 C16310 ko00592,ko01110
Caftaric acid 312.0481321 3.1803 M-H+CH3CN 6440397 - --
7,3',4',5'-Tetrahydroxyflavone 286.0477381 2.9751 M-H 5393164 - --
Neocretanin 468.0903909 3.3413 M-H+CH3CN 131752605 - --
Bevenopran 386.1954054 2.9751 M+Cl 10452732 - --
13(S)-Hydroperoxylinolenic acid 310.2144096 10.6539 M-H 5497123 C04785 ko00592,ko01100,ko01110
benzoyl-coenzyme A 871.1414248 5.0295 M-H-C3H2O3 439248 - --
nutlin-3A 580.164411 5.1224 M+HCOO 11433190 - --
Xanthohumol 354.1467239 8.491 M-H 639665 C16417 ko00941
2-Piperidinone 99.06841395 4.1076 2M-H+Cl 12665 - --
4-Hydroxy-6-methyl-2-pyrone 126.0316941 2.4762 2M-H 54675757 C02752 --
D-phenylalanine 165.0789786 1.9047 M-H 71567 C02265 ko00360,ko00470,ko01100
Madlongiside C 636.3873483 10.5323 M-H+Cl 21628395 - --
Fenoldopam 305.0818712 3.6339 M-H 3341 C07693 --
L-Homoserine 119.0582432 2.7625 M- 12647 C00263 ko00260,ko00270,ko00300,ko00920,ko01100,ko01110,ko01230
Fluperlapine 309.1641259 4.9364 M-H 49381 C10967 --
Triamcinolone diacetate 478.2002963 3.4953 M+Cl+HCOOH 6216 C08184 --
2-dehydro-D-gluconic acid 194.0426528 4.3546 2M-H 3035456 C06473 ko00030,ko01100
Ammiol 276.0633882 3.1578 2M-3H 621572 - --
Diosbulbinoside F 538.2050268 4.1381 M-H-C4H8 181842 - --
Diguanosine-5'-triphosphate 788.0717653 0.6129 M+Cl 135450902 - --
1,8-Diazabicyclo[5.4.0]undec-7-ene 152.1313486 1.8737 M+Cl 81184 - --
Beta-Cortol 368.2562744 6.7874 M+Cl 246164 - --
6-Hydroxyflavone 238.0629942 2.059 M+F 72279 - --
(1S,3R,4S,9R,13S,14R)-3-[(2S,5S)-5-(2,4-dibromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-13-hydroxy-9-[(1R)-1-hydroxyethyl]-4,14,16,16-tetramethyl-2,6,10,17-tetraoxatricyclo[11.3.1.1(1,5)]octadecane-7,11-dione 750.1440706 5.6469 M-H 46173824 - --
Ketorolac 255.0895433 3.0971 M+K-2H 3826 C07062 --
2-((2,4-dichlorophenyl)amino)-N-((tetrahydro-2H-pyran-4-yl)methyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide 448.068066 3.2034 M-H 10253143 - --
Dihydrorotenone 396.1572886 4.7975 M+Cl 243725 - --
Sennoside 862.1956439 1.1373 M-H 656822 - --
Forskolin 410.2304536 10.6539 M-H2O-H 47936 C09076 --
Cinitapride 402.2267056 7.6553 M-H-COCH2 68867 - --
FD And C Green No. 1 668.2014784 2.0437 M-H 73226 - --
Alendronic acid 249.0167259 3.7869 2M-H 2088 C07752 --
Ranitidine hydrochloride 350.1179391 7.8251 M+Cl 3033332 - --
Lancifodilactone D 526.2202829 9.5004 M+Cl+HCOOH 12080814 - --
Cefotiam dihydrochloride 597.056868 0.9826 M-H+CF3COOH 47896 - --
Ser-Ser 192.0746216 3.2646 M-H 7019105 - --
Proglumide 334.1892574 4.6287 M-H+NaCOOH 4922 - --
Pimelea factor P2 638.3454834 3.1425 M+Cl 442073 C09161 --
(E)-N-[(2S,3R,4R,5R)-2-[(3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-14-methylpentadec-2-enamide 844.4317323 7.5946 M-H-C5H8O4 45359165 - --
S-2-Octenoyl CoA 891.2040251 3.234 M+Cl 5118245 - --
5-Aminopentanoic acid 117.0789786 4.0924 M-H2O-H 138 C00431 ko00310,ko00330,ko00470,ko01100
Psoralen 186.0316941 4.5514 M+CH3COO 6199 C09305 ko00999,ko01110
Dicumarol 336.0633882 2.9903 M+F 54676038 C00796 --
Uracil mustard 251.0228321 3.6645 M+Cl+NH3 6194 C11686 --
N-[4-(ethylsulfonylamino)phenyl]ethanesulfonamide 292.0551485 4.7056 2M+Cl 305616 - --
Lactupicrin 410.1365532 5.4441 M+Cl+NH3 174880 C09490 --
Silymarin 482.1212971 5.1224 M+CH3COO 5213 C07610 --
4'-Demethylepipodophyllotoxin 400.1158177 5.4461 M-H 122797 C21185 --
Glafenine hydrochloride 408.0643626 3.0207 M+Cl 3085326 - --
Sitagliptin phosphate monohydrate 523.1055398 3.5416 M- 11591741 - --
7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid 276.0534922 5.97 M-H+HCOOH 72574 - --
Sirohydrochlorin 862.2908817 2.69 M-H-CH4 196427 C05778 ko00860,ko01100,ko01110,ko01240
Gossypin 480.0903909 3.1881 M-H 5281621 C10051 --
Arg-Arg-Lys-Ala-Ser-Gly-Pro 770.4511197 7.4587 M+Cl 22461943 - --
5,6-Dimethoxysterigmatocystin 384.0845176 6.7721 M-H 5284386 - --
7-Hydroxyflavanone 240.0786443 1.2134 2M-H 1890 - --
Cefmenoxime 511.0514769 0.5823 M-H-C6H10O5 9570757 - --
Koparin 300.0633882 4.3977 M-H 5318834 - --
Spinatoside 522.1009556 2.9903 M-H+CH3CN 21722022 - --
Cytidine-5'-triphosphate 482.9845134 1.122 M+Cl+CF3COOH 6176 C00063 ko00240,ko00515,ko01100,ko01232,ko01240
Cytidine 243.0855206 3.1881 M+Cl+NH3 6175 C00475 ko00240,ko01100,ko01232,ko02010
[Ala2] Met-Enkephalin,amide 586.2573538 8.4144 M+Cl 10371137 - --
Latamoxef 520.1012471 2.059 M-H 47499 C07231 --
Pentoxifylline 278.1378905 2.3341 3M-H+Cl 4740 C07424 --
Butoconazole 412.0150181 1.9047 M-H 47472 C08065 --
Benzeneacetic acid, 3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,6,8-trimethyl-1-((2-methyl-1-oxobutoxy)methy)-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester 608.2985332 8.095 M+Cl 198485 - --
Isoswertisin 2''-rhamnoside 592.1792059 2.5186 M-H+CF3COOH 443901 - --
Captopril disulfide 432.1388782 5.8615 M-H-H2O 10002934 - --
Kanokoside D 624.2629356 4.4746 M-H 46173908 C17431 --
Kanokoside C 638.2422002 2.227 M+Cl 46173907 C17430 --
Demethylwedelolactone 300.0270027 4.1684 M-H 5489605 - --
Bufotenine O-glucoside 366.1790867 8.9932 M-H 74039123 - --
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol 278.1055278 4.0309 3M-2H+K 727028 - --
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 638.1846853 7.6856 M+Cl 5464499 - --
Sofalcone 450.2042388 9.4084 M-H 5282219 - --
Nicotinic acid adenine dinucleotide 665.1009634 0.9894 M-2H+K 165491 C00857 ko00760,ko01100,ko01240
Guanethidine sulfate 296.1518261 5.4747 M+Cl 86471 - --
Tolmetin sodium dihydrate 315.1082655 3.234 M-H 23677829 - --
aclacinomycin S 699.2890908 8.6423 M+Cl+HCOOH 152639 C18635 ko01110
Benzoyl disulfide 274.012221 3.3107 M-H-C6H8O6 12569 - --
6-Sialyllactosamine 674.2381774 4.1833 M+Cl+NaCOOH 125128 C04886 --
8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one 592.1792059 1.4357 M+Cl 45360149 - --
Oxiconazole 428.9784844 1.7504 M-H 5353853 C08074 --
1,2-Dihydroaceanthrylene 204.0939004 8.8264 M+Cl 160539 C19401 --
1-(4-Fluorophenyl)piperazine dihydrochloride 252.0596322 2.1345 M-2H 16211916 - --
16,16-Dimethyl-pgd2 380.2562744 6.7415 M-H-C4H8 5283053 - --
2,4-Heptadecanedione 268.2402304 11.2219 M-H-CH2 116363 - --
Morpholine, 4-(3,4,5-trimethoxybenzoyl)-thio- 297.1034789 6.7721 2M+Cl 116301 - --
2-[(2-Amino-3-hydroxypropanoyl)amino]pentanedioic acid 234.0851863 4.336 M-H2O-H 3613616 - --
Traumatic acid 228.1361592 5.8615 M-H 5283028 C16308 ko00592,ko01110
Phenethylamine 121.0891494 1.9047 M+HCOO 1001 C05332 ko00360,ko01100
4,5-Dihydroxyphthalic acid 198.016438 1.7965 M-H 45746 C03233 ko01100
Dioxinodehydroeckol 370.032482 4.8595 M+Cl+NH3 10429214 - --
Diethyl (4-Fluorobenzyl)phosphonate 246.0821097 6.3727 M-H+HCOOH 11064685 - --
7-hydroxy-3-(2-methoxyphenyl)-4H-chromen-4-one 268.0735589 6.5728 M-H 5397276 - --
Triphenyltin chloride 385.9880635 10.3674 M+Cl 12540 - --
Tridecanoic acid 214.1932802 9.5847 M-H 12530 C17076 --
Chartreusin 640.1792059 1.8737 M-H 5281394 C09181 --
Dimethyl 4-(3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate 303.1106727 3.7104 2M+Cl 674174 - --
2-(Dimethylamino)ethanesulfonic acid 153.045964 4.9517 3M-2H+K 237042 - --
D-Malic acid 134.0215234 0.8155 M-H 92824 C00497 ko00650,ko01100
Clitidine 270.0851863 8.673 2M-2H+Na 182378 C19977 --
Epithienamycin A 314.0936425 7.9292 M+K-2H 11370435 C17372 --
4-chloro-3-{5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-2-furyl}benzoic acid 360.0149138 7.8073 M-H-CO2 1348982 - --
Resorufin 213.0425931 4.2133 2M-H 69462 - --
Isochromophilone IX 475.1761656 2.816 M-H 23789027 - --
2-Phthalimidoglutaric acid 277.0586372 6.481 M-H 92225 - --
Saphenamycin 402.1215718 3.9188 M-H-C4H8 134184 - --
Isolariciresinol 9-O-beta-D-glucoside 522.2101121 3.9722 M-H 85210374 - --
3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 444.105647 4.7667 M-H 3085261 - --
Bromethalin 576.7918802 3.4953 M-H 44465 C18697 --
(8R,8'R)-Secoisolariciresinol 9-glucoside 524.2257622 10.5248 M-H 14704357 - --
S-(2-boronoethyl)-L-cysteine 193.0581176 4.9828 M+Cl+NH3 9877608 - --
2-Chloro-3-(phenethylamino)naphthalene-1,4-dione 311.0713065 2.5186 M-H 237490 - --
Cyanidin 3-(6''-malonylsophoroside)-5-glucoside 859.2144276 3.8327 M+Cl+HCOOH 126455742 - --
Phenylalanine 165.0789786 1.9047 2M-H 6140 C00079 ko00360,ko00400,ko00460,ko00470,ko00940,ko00960,ko00966,ko00970,ko00996,ko00999,ko01100,ko01110,ko01210,ko01230,ko02010
Methionine 149.0510493 1.1524 M-H 6137 C00073 ko00270,ko00470,ko00966,ko00970,ko00999,ko01100,ko01110,ko01210,ko01230,ko01240
3-O-Feruloylquinic acid 368.1107324 3.1881 M-H 9799386 C02572 --
Cefoperazone 645.1424004 2.2115 M-H 44187 C06883 --
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 478.1111263 5.846 M-H 14704553 - --
Rhodamine 123 380.0927702 6.7568 2M-2H+K 9929799 C16107 --
7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine 328.1171551 9.5157 M+K-2H 22641 - --
Gastrodin 286.105253 2.1345 M+HCOO 115067 C16964 --
Filiforminol 310.056841 8.3633 M-H 11056026 C17135 --
Artemidinol 216.0786443 7.1078 M-H 23264915 - --
2-Methyl-2-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxamido)methyl)phenoxy)propanoic acid 478.1174126 4.5206 M+Cl 9956726 - --
(+)-alpha-Viniferin 678.1889827 2.7472 M-H 375682 - --
4-nitro-1H-pyrazole-3,5-dicarboxylic acid 201.0021849 2.0643 M+Cl 1415500 - --
Edetic acid 292.0906656 3.5107 M-H 6049 C00284 --
Dihydroergotamine mesylate 679.2675842 5.9855 M+Cl 71171 - --
3-(1,1-Dimethylallyl)-8-hydroxy-7-methoxycoumarin 260.1048591 7.9894 M-H 51136412 - --
N-(2-fluorophenyl)-2-phenoxypropanamide 259.100857 3.1729 3M-2H+Na 2889924 - --
Malvidin 3-sophoroside 5-glucoside 817.2402484 3.741 M+Cl 74977114 - --
Melilotoside 326.1001677 2.4268 M+CH3COO 5280759 C05158 ko00999,ko01110
2',5-Dichloro-2-hydroxybenzophenone 265.990135 3.5262 M-H 2735995 - --
Fluvoxamine maleate 434.1664713 7.9517 M-H 9560989 - --
DL-Aspartic acid 133.0375078 2.5036 M- 424 - --
Cefotiam 525.1035124 5.6128 3M-H+Cl 43708 - --
4-Methylumbelliferyl glucuronide 352.0794322 5.784 M-H 91553 C11584 --
DL-Ornithine 132.0898777 1.5355 M-H 389 C01602 --
2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine 313.0675016 1.1904 M-H+CH3CN 5462266 C04640 ko00230,ko01100,ko01110
Mebhydrolin napadisilate 840.3015269 3.7257 M-2H+Na 22529 C75885 --
Quinacrine dihydrochloride dihydrate 509.1796508 3.9617 M+Cl+CF3COOH 2725002 - --
3-O-Acetylepisamarcandin 442.235539 3.4798 M+Cl 3095106 - --
Naphthofluorescein 432.0997737 1.94 M+CH3COO 3124834 - --
Watasenia luciferin 583.0719208 4.6132 M+Cl+NH3 135398685 C02894 --
D-Saccharic Acid 1,4-lactone (hydrate) 192.0270027 1.5355 M-H2O-H 20055579 - --
Acteoside 624.2054207 3.1729 M+Na-2H 5281800 - --
Catheduline E2 700.2632103 8.1553 M+Cl 442517 C09935 --
Naphthylmercaptobenzoquinone 360.0223074 3.591 M+Cl 191592 - --
4,4'-Dihydroxybenzophenone 214.0629942 5.0758 M-H 69150 - --
Cyclic diguanosine monophosphate (sodium salt) 690.0948697 0.8385 M+Cl+NaCOOH 135440063 C16463 --
Thr-Ser 206.0902716 1.2443 M-H 7016065 - --
Zoxazolamine 168.0090405 1.7965 M-H 6103 - --
Sultiame 290.0394984 5.5818 2M-H 5356 - --
Adenosine monophosphate 347.0630849 1.8737 M+Cl+NH3 6083 C00020 ko00230,ko00908,ko01100,ko01110,ko01232,ko01240
Gonyautoxin 1 411.080846 2.1499 M-H 104848 C16855 --
Uroporphyrin I 830.2282814 5.5838 M-H 72424 - --
Cyclo(-D-Tyr-Arg-Arg-Nal-Gly-) 729.3710784 8.3382 M-H-HCOOH 5275843 - --
2-methyl citric acid 206.0426528 3.234 2M-H 90470055 - --
2-Hydroxyisophthalic acid 182.0215234 1.2134 M-H 11812 - --
Ethyl 6,7-dichloro-3-hydroxyquinoxaline-2-carboxylate 285.9911976 2.3958 M+Cl 6320212 - --
Furmecyclox 251.1521436 9.7665 M-H 43359 C18912 --
Cyclophosphamide monohydrate 278.0353849 0.7927 3M-H+Cl 22420 C06933 --
6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine 289.1538749 3.0942 M-H 616267 - --
(-)-Oleoside 11-methyl ester 404.1318618 7.8836 M-H 131753164 - --
Met-Trp 335.1303623 9.4851 M- 3080870 - --
Neurotensin (8-13) 816.4970073 11.0687 M+Cl+NH3 5311318 - --
Oxazepam 286.0509054 4.6903 M-H 4616 C07359 --
Eur 2 694.2625417 4.3977 M+Cl+NH3 133564728 - --
Alatolin 756.2781917 2.7778 M+Cl 57509354 - --
Almotriptan N-Oxide 380.1518261 4.4438 M+Cl 90474979 - --
3'-O-Methylepicatechin 7-O-glucuronide 480.1267764 8.8721 M+HCOO 101190386 - --
3'-O-methyltricetin 316.0583028 4.7208 M-H2O-H 11267045 C19739 --
Tamarixetin 316.0583028 4.7514 M-H 5281699 - --
Medermycin 457.173667 1.9357 M+Cl+NH3 12967404 C12437 --
Atrovent Hfa 332.2225689 8.8721 M+Cl 3746 - --
3-Benzoyl-6-phenyl-pyran-2,4-dione 292.0735589 9.0702 M-H 221786 - --
Ethylmalonic acid 132.0422588 1.8426 M-H 11756 - --
2-Hydroxybutyric acid 104.0473442 4.077 M+Na-2H 11266 - --
Cyclic AMP 329.0525202 2.6347 M+NH4-2H 6076 C00575 ko00230,ko01100
Phloretin 274.0841236 5.3071 M-H 4788 C00774 ko00941,ko01110
Phlorizin 436.1369471 4.3051 M-H 6072 C01604 ko00941,ko01110
Tetracycline 444.1532659 11.1912 M-H 54675776 C06570 ko01100,ko01110
FFA(18:2) 280.2402304 11.0994 M-H 5280450 C01595 ko00591,ko01040,ko01100
Sulindac sulfone 372.083158 4.896 M-H 5472495 - --
Gentiobiose 342.1162117 4.8285 M+Cl 441422 C08240 --
Sulfasalazine 398.0684903 6.094 M+HCOO 5339 C07316 --
Glabridin 324.1361592 2.2391 2M-H 124052 - --
Camostat mesylate 494.1471347 1.2134 M-H 5284360 - --
2,2-Dimethylsuccinic acid 146.0579089 1.9047 M+HCOO 11701 - --
Glu-Leu 260.1372219 2.4422 M-H 9856500 - --
beta-Lactose 342.1162117 1.474 M+Cl 6134 C01970 --
L-Menthyl acetoacetate 240.1725447 6.8487 M-H 43045 - --
Karwinskione 528.2148035 3.4489 M+Cl 442524 C09944 --
Mexicanin E 232.1099445 1.7888 M-H-H2O 22226 C09503 --
Eudistomin N 245.9792593 2.6406 M-H 162883 C17169 --
5-Amino-3-(Methylsulfanyl)-1-Phenyl-1h-Pyrazole-4-Carbonitrile 230.0626171 5.169 3M-H 736776 - --
Lindleyin 478.1475118 6.2024 3M-2H 42994 - --
Menthyl lactate 228.1725447 6.527 M-H 62151 - --
Gravacridonediol glucoside 503.1791463 2.7508 M-H-C6H10O5 131750850 - --
Phorbol caprate, tiglate 600.3662189 10.8227 M-H 5281391 C09157 --
Ingenol 3,20-dibenzoate 556.2461037 4.2744 M+Cl 442043 C09113 --
Sulpyrine 351.0864842 6.0785 M-2H+K 23674183 - --
2-Methyl-6-(furfurylthio)pyrazine 206.0513837 2.1652 2M-H 101005 - --
Phenoxybenzamine 303.1389921 0.6903 M-2H+Na 4768 C07435 --
Nitrofurazone 198.0389047 1.4129 M+Cl+NH3 5447130 C08042 --
Sulfaquinoxaline 300.0680964 3.3719 M-H 5338 - --
(4R,6R)-6-[2-[(1S,2S,8aR)-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one 290.1881948 6.0165 M-2H+K 173650 - --
2-(2,4-Difluorophenoxy)propanohydrazide 216.0710341 1.5738 M-H+NH3 5199890 - --
Glutamylvaline 246.1215718 1.7504 M-H 6992567 - --
Butorphanol 327.2198293 10.5323 M+Cl 5361092 C06863 --
Dichamanetin 468.1572886 3.1652 M-H-CH2 181193 - --
gamma-Glutamylalanine 218.0902716 8.8111 M-H 440103 C03740 ko00480,ko01100
Licochalcone B 286.0841236 6.2024 M-H 5318999 - --
Licochalcone a 338.1518093 2.7625 M-H 5318998 - --
Nomegestrol acetate 370.2144096 8.3837 M+Cl+NaCOOH 91668 - --
cis-3,4',5-Trimethoxy-3'-hydroxystilbene 286.1205092 0.7061 M+NH4-2H 10108048 - --
Carboprost tromethamine 489.3301677 5.2305 M-H 5281074 - --
Schisantherin A 536.2046328 3.3719 M+Cl 151529 - --
2-undecyl-1H-benzimidazole 272.225249 8.0349 M-H-C2H4 459455 - --
Maltitol 344.1318618 3.5262 M+HCOO 493591 - --
cis-Aconitic acid 174.016438 3.9541 M+F 643757 C00417 ko00020,ko00630,ko00660,ko01100,ko01110,ko01210
Uvaretin 378.1467239 10.5627 3M-H+Cl 73447 C09978 --
4-(4-Amino-3-nitrophenyl)phthalazin-1-ol 282.0752902 2.5036 M-H 3099471 - --
Adenosine tetraphosphate 586.9620777 1.6661 M-H 14003 C03483 ko00230,ko01100
D-Erythrose 120.0422588 0.6745 M+K-2H 94176 C01796 --
Nicotinuric acid 180.0534922 1.7504 2M-H 68499 C05380 ko00760
1,6-Dioxacyclohexadecane-7,16-dione 256.1674594 3.9541 M+Cl 94013 - --
Isomaltulose 342.1162117 3.1729 M+K-2H 439559 C01742 --
4,6-dimethyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyridine-3-carbonitrile 308.0844151 8.1705 2M+Cl 714295 - --
Pyrazolynate 438.0207832 6.1095 M-H 42619 - --
Matairesinol 358.1416386 8.9779 M-H 119205 C10682 ko00999,ko01100,ko01110
3-Phenylphenol 170.073165 5.753 M+HCOO 11381 - --
Uridine 244.0695362 1.2289 M-H 6029 C00299 ko00240,ko01100,ko01232,ko02010
Adenosine 267.096754 1.8273 M+CH3COO 60961 C00212 ko00230,ko01100,ko01232,ko02010
Chlordiazepoxide 299.0825398 4.9673 M+F 2712 - --
D-Allose 180.0633882 0.738 M+Cl 439507 C01487 ko00051,ko01100,ko02010
7-Methylguanine 165.0650599 3.0666 2M-H 135398679 C02242 | C75717 --
Cosmosiin 432.105647 4.5053 M+Cl 5280704 C04608 ko00944
m-Chlorohippuric acid 213.0192709 2.1806 2M-H 448 - --
4,5-Dimethoxyphthalic acid 226.0477381 2.839 2M-H 290988 - --
Asterric acid 348.0845176 2.7778 M-H 3080568 - --
Kansuinine B 722.2574563 4.6596 M+Cl 442050 C09122 --
Mancinellin 612.3662189 6.6955 M+Cl 5281378 C09127 --
Biocytin 372.1831262 9.5617 M-H 83814 C05552 ko00780,ko01100
Maritimetin 286.0477381 5.753 M-H 5281292 C08720 --
Eleganin 434.1576826 0.9992 M+K-2H 5281440 C09401 --
Isocromadurine 309.157623 4.6897 M-H 442726 C10304 --
8-O-Acetyl shanzhiside methyl ester 448.1580765 5.7218 M-H-C4H8 162823 - --
Phthalocyanine 514.1654426 10.6234 M-H 86280045 - --
4-Hydrazinyl-8-(trifluoromethyl)quinoline 227.0670319 7.8149 M-H 15151238 - --
Benzo(a)pyrene-9,10-diol 284.0837297 6.6341 M+Na-2H 107679 C18278 --
Congo red 696.0837594 2.96 M-H 11313 - --
O-Formylcefamandole 490.0729238 3.4573 M+Cl+NaCOOH 5284527 - --
Avicularin 434.0849116 4.0309 2M-H 5490064 - --
Norstictic acid 372.0481321 3.3872 M+CH3COO 5379540 - --
Hymenoxon 282.1467239 3.2724 2M-2H+Na 42295 C09482 --
Avatrombopag 648.1510859 4.2739 M-H-CH4 9852519 - --
Homovanillin 166.0629942 3.6951 M-H 151276 C05581 ko00350,ko01100
Sulfamethazine 278.0837465 3.418 M-H 5327 C19530 --
Chlortetracycline 478.1142936 4.1833 2M-H 54675777 C06571 ko01100,ko01110
FFA(18:0) 284.2715305 10.8535 M-H 5281 C01530 ko00061,ko01040,ko01100
Nepitrin 478.1111263 8.8721 M+HCOO 120742 - --
Apigenin 7-sulfate 350.0096381 5.5973 M-H 14016776 - --
alpha-Peltatin 400.1158177 4.0463 M+CH3COO 92129 - --
Vestitol 272.1048591 4.9212 M-H+CH3CN 92503 - --
1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[G]pteridin-1-ID-10(5H)-YL)-5-O-phosphonato-D-ribitol 458.1202655 5.97 M-H-C5H8O4 445395 C01847 ko00740,ko01100,ko01240
Steppogenin 288.0633882 3.2646 2M-H 21596130 - --
Flurprimidol 312.1085624 2.1652 M+Cl 73668 C18465 --
Ergocornine 561.2951195 8.7498 M-H 73453 C09162 --
Doxycycline 444.1532659 8.3991 M-H 54671203 C06973 --
Helichrysoside 610.1322557 4.844 M-H 5317991 - --
5,6-Dihydrouridine 246.0851863 5.8615 2M-2H+Na 94312 - --
N-((4-(Acetylamino)phenyl)sulphonyl)acetamide 256.0517776 3.9541 M-H+CH3CN 101240 - --
(R)-2,3-Dihydroxy-3-methylvalerate 148.0735589 2.1345 M+Na-2H 448154 C06007 ko00290,ko01100,ko01110,ko01210,ko01230
Cefazedone 546.9612362 1.951 M-2H+Na 71736 - --
Heptethylene glycol 326.1940681 3.8174 M+Cl 79718 - --
Sucralose 396.0145509 5.2918 M-H 71485 - --
L-cystathionine 222.0674277 1.7811 M+HCOO 439258 C02291 ko00260,ko00270,ko01100,ko01110,ko01230,ko01240
L-Lysine 146.1055278 0.6588 M-H 5962 C00047 ko00300,ko00310,ko00470,ko00780,ko00960,ko00970,ko01100,ko01110,ko01210,ko01230,ko02010
Glutamine 146.0691422 0.738 M-H 5961 C00064 ko00220,ko00230,ko00240,ko00250,ko00470,ko00630,ko00750,ko00910,ko00970,ko01100,ko01230,ko01232,ko01240,ko02010
L-Aspartic acid 133.0375078 0.7221 M-H 5960 C00049 ko00220,ko00250,ko00260,ko00261,ko00270,ko00300,ko00340,ko00410,ko00460,ko00470,ko00710,ko00760,ko00770,ko00970,ko00999,ko01100,ko01110,ko01200,ko01210,ko01230,ko01240,ko02010
Glycerol 92.04734417 1.3364 M-H2O-H 753 C00116 ko00040,ko00052,ko00561,ko01100,ko02010
Chloramphenicol 322.012327 5.4135 M-H 5959 C00918 --
Glycine 75.03202844 1.5046 M+CH3COO 750 C00037 ko00230,ko00260,ko00310,ko00440,ko00460,ko00470,ko00480,ko00630,ko00730,ko00860,ko00970,ko01100,ko01110,ko01200,ko01230,ko01240,ko02010
3,3'-Dihydroxyflavone 254.0579089 3.7257 2M-H 676295 - --
Thr-His 256.1171551 6.8946 M-H 9943049 - --
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate 222.0350649 5.551 2M-H 62106 - --
Maleamic acid 115.0269431 4.9364 M+Cl 5280451 C01596 ko00760,ko01100
N2-(2-((4-(2,4-Dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine 485.0882263 5.138 3M-2H 9957049 C75613 --
Acesulfame potassium 200.9498108 1.0758 M-H 11074431 - --
Mascaroside 524.2257622 3.9541 M-H 442057 C09132 --
Diadenosine tetraphosphate 836.048267 2.059 M-2H+K 21706 C01260 ko00230,ko01100
beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate) 423.0327581 2.2575 M+NH4-2H 9548622 C08411 --
Glucocheirolin 439.0276728 1.7811 M+F 656531 - --
Methazolamide 236.0037816 4.4746 M-H 4100 C07764 --
Linamarin 247.1055874 2.1896 M-H+CH3CN 11128 C01594 ko00460,ko01100,ko01110
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-nitrophenoxy)acetamide 374.0281193 3.8021 M-H-H2O 1543681 - --
Beclomethasone dipropionate 520.2227814 11.151 M+Cl+CF3COOH 21700 C07813 --
Tiamulin (fumarate) 609.3335385 7.1689 M+Cl 86280312 - --
Kefurox 424.0688843 2.5186 M+Cl 5361202 - --
Davercin 759.4405061 10.1479 M-H-C2H4 10033072 - --
Salsalate 258.0528235 5.0758 M-H 5161 - --
Daidzin 416.1107324 5.6438 M-H2O-H 107971 C10216 ko00943
Rhamnazin 330.0739529 2.4268 M+F 5320945 - --
Kaempferol 3-sophoroside-7-glucoside 772.2062086 7.8682 M-H 12960460 - --
Liquiritin 418.1263824 3.7563 M-H 503737 C16989 --
Dinoprost 354.2406243 10.9305 M-H2O-H 5280363 C00639 ko00590,ko01100
Levothroid 798.6686426 0.7216 M+Cl 23666112 C08212 --
Epinephrine glucuronide 359.1216314 0.754 M+Cl+NH3 53480450 - --
C.I. Natural Red 20 288.0997737 6.7721 2M-2H+K 5208 - --
4-Methyloctanoic acid 158.1306799 7.6704 M-H 62089 - --
Lys-Phe-Lys 421.2689048 6.0165 M-H+CF3COOH 9209271 - --
Quercetin-3-D-xyloside 434.0849116 4.3206 M-H-C3H2O3 5320863 - --
5-(Tetradecyloxy)-2-furoic acid 324.2300596 11.1452 M-H 115175 - --
Gyrophoric acid 468.105647 2.4577 M-H 135728 - --
Galangin 270.0528235 5.2764 M-H 5281616 C10044 ko00941
Oxycanthine 608.2886372 9.3931 M+CH3COO 371257 C09598 --
Hypericin 504.0845176 7.9292 M+CH3COO 3663 C07606 --
Sulfadiazine sodium 272.034389 3.8021 2M-2H+Na 15899898 - --
2-Cyano-3-(3-hydroxyphenyl)acrylic Acid 189.0425931 2.6559 M-H 2101 - --
3,4-Bis(benzyloxy)benzaldehyde 318.1255945 3.0666 M+Cl+NaCOOH 79526 - --
Cyclic di-AMP 658.1050404 9.1783 M+Cl 11158091 C20565 --
5'-Methoxyhydnocarpin 494.1212971 7.8836 M+CH3COO 5281879 C11162 --
Gln-Gln 274.1277198 1.7351 M+Na-2H 7010588 - --
FFA(14:0) 228.2089302 10.6539 M-H 11005 C06424 ko00061,ko01100
Taurocyamine 167.0364619 4.2744 2M-H 68340 C01959 ko00430
1,3,7-Trimethyluric acid 210.0752902 1.9357 M-H 79437 C16361 ko00232
Flecainide 414.1378119 2.8237 3M-2H 3356 C07001 --
Dodecamethylcyclohexasiloxane 444.1127516 0.9379 M-2H+Na 10911 - --
Ethyl sulfate 125.9986794 1.2134 M+CH3COO 6004 - --
Pyridoxal phosphate 247.0245741 1.9357 M-H 1051 C00018 ko00730,ko00750,ko01100,ko01240
5-Hydroxyindoleacetic acid 191.0582432 3.326 M-H+CH3CN 1826 C05635 ko00380,ko01100
N-butyl-1,1-dioxo-1,2-benzothiazol-3-amine 238.0775985 2.9827 3M-H 135402409 - --
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone 380.0289337 5.2918 M-H 220852 - --
Nummularine A 647.3682845 4.9364 M-H 131750852 C10011 --
2',5'-Dichloro-2-hydroxybiphenyl 237.9952204 4.4746 M-H 92347 - --
2',5'-Dichlorobiphenyl-3-ol 237.9952204 0.5669 M-H 92346 - --
2,4,6-Triethyl-1,3,5-oxadithiane 206.0799067 6.4348 3M-2H+K 131752465 - --
LysoPE 16:0 453.28554 8.627 M-H 9547069 - --
Isorutarin 424.1369471 4.5206 M+F 185756 - --
Zuclopenthixol 400.1376119 7.4437 M+HCOO 5311507 - --
Caffeoylmalic Acid 296.0532175 2.5036 M+CH3COO 6124299 - --
Bruceantinol 606.2312415 5.0604 M-H 5281305 C08750 --
Carprofen 273.0556564 6.7721 M+CH3COO 2581 C18364 --
Ferulic acid 194.0579089 4.0463 M-H 445858 C01494 ko00940,ko01100,ko01110
Pterostilbene 256.1099445 4.906 M+HCOO 5281727 - --
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-chloro-4-fluorophenyl)acetamide 351.9907103 3.6951 M-H 1041316 - --
Digallic acid 322.032482 1.7658 M+CH3COO 341 C01572 --
Iodoresiniferatoxin 754.163881 3.1122 M-H 6324614 - --
Sennidin C 524.1107324 3.2187 M-H 5321255 C16797 --
Trichotomine 532.1382845 8.0045 M-H 442120 C09247 --
Lotaustralin 261.1212374 1.951 M+Na-2H 441467 C08334 ko00460,ko01110
N,N,N-Trimethyl-Histidine 198.1242518 6.5575 M-H 440727 C05575 ko00340,ko01100
3,3-Bis(4-(dimethylamino)phenyl)phthalide 372.1837781 2.4422 M+Cl 79281 - --
Isovitexin 2''-O-arabinoside 564.1479058 1.4129 M-H2O-H 44468060 - --
Ribonolactone 148.0371734 2.3958 M+Cl+NH3 111064 C02674 --
7-[Phenyl(phenylamino)methyl]quinolin-8-ol 326.1419133 7.6553 2M-2H+Na 219561 - --
Tribenzoyl d-1,6-galactosan 474.1314678 8.8721 M-H+NaCOOH 219726 - --
Acemetacin 415.0822651 6.6648 M-H 1981 - --
Austidiol 236.0684736 4.4285 2M-H 40604 - --
Caffeoyl-coa 929.1469042 2.2982 M+Cl+NH3 11966126 C00323 ko00940,ko00941,ko00945,ko00996,ko00999,ko01100,ko01110
Flufenamic acid 281.0663633 11.0611 M-H 3371 C13038 --
Syringic acid 198.0528235 3.2746 M-H 10742 C10833 --
D-Mannose 180.0633882 0.4159 M+K-2H 18950 C00159 ko00051,ko00052,ko00520,ko01100,ko01250,ko02010
Picein 298.105253 1.2443 2M-2H+K 92123 - --
Indomethacin 357.0767858 3.1881 2M-H 3715 C01926 --
Nicotinamide-Adenine-Dinucleotide 664.1169478 4.3822 M+NH4-2H 5893 C00003 ko00190,ko00730,ko00760,ko01100,ko01240
NAD+ 663.1091228 9.774 M-H+NH3 5892 C00003 ko00190,ko00730,ko00760,ko01100,ko01240
Promazine hydrochloride 320.1113972 8.3534 M+Cl 5887 - --
Methylprednisolone acetate 416.2198889 4.8751 M+F 5877 C08179 --
Dihydrodigoxin 782.4452571 9.9389 M-H 92217 - --
Pyridoxamine phosphate 248.0562086 4.3051 2M-H 1053 C00647 ko00750,ko01100
Euxanthone 228.0422588 2.5942 M-H 5281631 C10061 --
Genistin 432.105647 3.5262 M+CH3COO 5281377 C09126 ko00943
Naringenin-7-O-glucoside 434.1212971 3.741 M-H 9910767 - --
Sakuranin 448.1369471 10.538 2M-H 73607 C17391 --
(2,5-Dihydroxy-4-methoxyphenyl)-phenylmethanone 244.0735589 6.8882 M-H 3938139 - --
Fisetin 286.0477381 3.2313 M-H 5281614 C10041 --
Magnolol 266.1306799 1.9357 M+CH3COO 72300 C10651 --
2-Fluorophenethylamine 139.0797276 5.815 M+Cl 643357 - --
Copper gluconate 453.0305545 1.7044 M-H 10692 - --
Deoxyrubroskyrin 558.1162117 3.0513 M-H 85372397 - --
Galactaric acid 210.0375674 0.7061 M-H 3037582 C00879 ko00053,ko01100
2-Keto-L-gulonic acid 194.0426528 4.7208 2M-H 102424 - --
Tryptophol 161.084064 2.3393 M-H2O-H 10685 C00955 ko00380
Ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate 250.0775985 5.123 3M-2H+K 334460 - --
Peonidin 3-arabinoside 468.0823248 2.7625 2M+Cl 91810651 - --
N-γ-Acetyl-N-2-Formyl-5-Methoxykynurenamine 264.1110071 3.1425 M+CH3COO 171161 C05642 ko00380
1-(4-Hydroxyphenyl)-5-mercaptotetrazole 194.0262315 1.3441 M-2H+K 3034725 - --
N-Hydroxyphthalimide 163.0269431 3.5726 M-H 10665 - --
Wedelolactone 314.0426528 4.7514 M-H 5281813 - --
N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine 244.0872725 7.4137 M+K-2H 11644425 C75450 --
Estramustine phosphate sodium 563.0983157 11.0688 M-2H+Na 444000 - --
Fosfestrol 428.0789918 1.3978 M-H+CH3CN 3032325 C08145 --
Quercitrin 448.1005616 4.1684 M-H 5280459 C01750 ko00944
SIS3 free base 453.2052418 3.2801 M-H+NaCOOH 10138988 - --
Ala-Arg-Gly 302.1702533 9.6077 2M-H 148559 - --
Cefsulodin sodium 554.0541978 1.6858 M+Cl 656644 - --
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol 366.1806648 11.4675 M-H 252291 - --
Xanthommatin 423.0702645 1.6584 2M-2H+Na 98312 C01969 --
Vulpinic acid 322.0841236 2.7472 2M-H 54690323 - --
Sciadopitysin 580.1369471 7.2915 M-H 5281696 - --
Apigenin 270.0528235 7.4587 M-H 5280443 C01477 ko00941,ko00943,ko00944,ko01100,ko01110
Diosmetin 300.0633882 3.9389 M-H 5281612 C10038 --
Hesperetin 302.0790383 4.8906 M+CH3COO 72281 C01709 ko00941
Tricin 330.0739529 6.094 M+F 5281702 - --
Tricetin 302.0426528 4.7514 M+F 5281701 C10192 ko00941
Norartocarpetin 286.0477381 3.9847 M-H 5481970 - --
Methylatropine nitrate 366.1790867 9.0239 M-H-C3H2O3 657381 - --
Verapamil 454.2831579 9.5004 M+CH3COO 2520 C07188 --
Atromentin 324.0633882 2.1193 M-2H+K 99148 - --
2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate 422.2457097 4.8906 M+Cl 255271 - --
4-Hydroxybenzo[h]quinoline-3-carboxylic acid 239.0582432 0.9838 M-H+CH3CN 308815 - --
Shikonin 288.0997737 6.313 M-H 479503 C15906 | C17412 --
Sennidin B 538.0899969 2.7931 M-H 10459879 - --
Sennosides 862.1956439 3.234 M-H 5199 - --
Methylmalonic acid 118.0266087 1.3058 3M-2H+K 487 C02170 ko00240,ko00280,ko00640,ko01100
2-Hydroxy-2-phenylpropanoic acid 166.0629942 3.0054 M-H 1303 - --
Homomoschatoline 321.100108 2.4577 2M+Cl 145779 - --
2-(Ethylsulfonyl)ethanol 138.0350649 1.9202 3M+Cl 10549 - --
Ethyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate 355.001428 1.3978 M-H2O-H 443064 C11068 --
3',4,4'-Trihydroxypulvinone 312.0633882 5.4441 M+CH3COO 131751048 - --
Apigenin 7,4'-dimethyl ether 298.0841236 1.3824 M-H2O-H 5281601 C10019 --
Gallocatechin gallate 458.0849116 3.3633 M+HCOO 5276890 - --
Amsacrine 393.1147123 5.2918 M+Cl+NaCOOH 2179 C01553 --
Pridinol 295.1936145 6.8181 M+Cl+HCOOH 4904 - --
Ergocristine 609.2951195 5.6438 M+Cl+NH3 31116 C09164 --
Hydrindantin 322.0477381 5.784 M-H-C2H4 21183 - --
Amcinonide 502.2366819 1.9357 M-H+NH3 443958 - --
Norethindrone acetate 340.2038449 0.3394 M-H 5832 C08152 --
Homatropine hydrobromide 355.0783048 7.4362 M-H+HCOOH 6419941 - --
CID 12000883 524.1529912 3.3872 M+Cl+NaCOOH 12000883 - --
1-Heptadecanoyl-sn-glycero-3-phosphocholine 509.3481402 9.3165 M+CH3COO 24779463 C04230 ko00564
1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)- 316.1211778 3.0054 2M-2H+Na 68183 - --
2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one 418.1263824 5.6128 2M-H 5320102 - --
Irilone 4'-glucoside 460.1005616 4.4132 M+CH3COO 131751493 - --
Purine, 6-(o-nitrobenzylthio)- 287.0476953 0.754 3M-2H+Na 95844 - --
Caryoptin 492.2359329 10.5882 M+Cl 442010 C09070 --
{[4-Phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-thio}acetic acid 314.0336829 3.0054 M-H-COCH2 801748 - --
Coelenteramide 411.1582916 5.0604 2M-H 448487 - --
Hexanoyl-coenzyme a 865.188375 3.4953 M-H 449118 C05270 ko00062,ko00071,ko01100,ko01212
9-Octadecynoic acid 280.2402304 10.5323 M-H 68167 C08459 --
Suberic acid 174.089209 3.3872 M+HCOO 10457 C08278 --
isorhamnetin-3-O-glucoside 478.1111263 3.4438 M-H 5318645 - --
Isoliquiritin 418.1263824 3.326 M-H 5318591 C16978 --
Kaempferol 3-O-alpha-L-rhamnofuranoside 432.105647 2.9296 M- 14078178 - --
1-Bromo-2-ethoxynaphthalene 249.9993261 2.6097 M+Cl 10966944 - --
Hydroxypropionic acid 90.0316941 0.8461 M+Na-2H 68152 C01013 ko00240,ko00410,ko00640,ko01100,ko01200
2-[3-(Trifluoromethyl)phenyl]benzonitrile 247.0608839 6.4963 M-H-COCH2 1392264 - --
4-Hydroxycinnamic acid 164.0473442 3.8021 M-H 637542 C00811 ko00130,ko00350,ko00940,ko00950,ko01100,ko01110
1-Methylhistamine 125.0952974 1.1524 M+Cl+NH3 3614 C05127 ko00340,ko01100
Caffeic acid 180.0422588 3.1729 M-H 689043 C01481 --
Rhapontigenin 258.089209 5.675 M-H 5320954 - --
Floxuridine 246.0651998 2.3435 M+CH3COO 5790 C11736 --
Ascorbic acid 176.0320881 6.3417 2M-H 54670067 C00072 ko00053,ko00480,ko01100,ko01110,ko01240
Reserpine 608.2733811 5.8228 M+Cl 5770 C06539 --
Chlorpromazine 318.0957471 2.0129 2M-2H+K 2726 C06906 --
Imipramine 280.1939488 9.4851 M+Cl+NaCOOH 3696 C07049 --
Thalidomide 258.0640569 4.9364 M+HCOO 5426 C07910 --
Phenylbutazone 308.152478 3.3872 M-H 4781 C07440 --
Mitomycin 334.1277198 10.4723 M-H 5746 C06681 --
Phenobarbital 232.0847923 3.3872 2M-H 4763 C07434 --
4-Hydroxy-3-methylbenzoic acid 152.0473442 3.7563 2M-H 68138 - --
Gluconasturtiin 423.0657728 0.8461 M+NH4-2H 656555 C08417 ko00966,ko01110,ko01210
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate 409.0501227 2.1193 M- 656498 C02153 ko00966,ko01110,ko01210
Levoglucosan 162.0528235 0.8155 M+CH3COO 2724705 - --
Alpha-Trisaccharide 515.2214051 2.1042 M-H 53477862 - --
Metixene 309.1551205 2.3494 M+Cl+HCOOH 4167 - --
Aspulvinone E 296.0684736 1.8737 M+F 54675753 C02006 --
(2S)-2-Isopropylmalate 176.0684736 2.6347 M-H 5280523 C02504 ko00290,ko00620,ko01100,ko01110,ko01210,ko01230
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone 194.0579089 5.0139 M-H 439309 C00779 --
5-bromo-N-cyclopropylthiophene-2-carboxamide 246.9489029 1.5355 M-H 4186509 - --
Nodakenetin 246.089209 5.0448 M-H 26305 C09278 --
Gentisyl alcohol 140.0473442 1.982 M+NH4-2H 188287 - --
8-Chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-benzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide 490.0911645 4.0309 M+CH3COO 10435654 - --
C.I. Pigment Red 149 598.1892574 6.7721 M-H 62555 - --
3-[(Aminocarbonyl)amino]-5-[4-(4-morpholinylmethyl)phenyl]-2-thiophenecarboxamide 360.1256113 1.9202 M-2H 9968854 - --
Glucovanillin 314.1001677 2.227 M-H 6452133 C19808 | C75308 --
Urea, 1-benzoyl-3-(4-chlorophenyl)-2-thio- 290.0280614 0.9671 M+Cl+HCOOH 701011 - --
Butin 272.0684736 6.3417 M+Na-2H 92775 C09614 ko00941
3,7-Dihydroxyflavone 254.0579089 8.8721 M- 5393152 - --
5-Ureidoimidazole-4-carboxylic acid 170.0439901 4.2591 M+Cl 155 C05515 ko00230,ko01100
Iridin 522.1373411 3.2647 M-H 5281777 C10465 --
Emodin anthrone 256.0735589 6.2177 M-H 122635 - --
Phloroglucide 234.0528235 3.2646 3M-H 248349 - --
Fisetinidol 274.0841236 4.2654 M-H 442397 C09735 --
(-)-Epicatechin 290.0790383 3.1881 M-H 72276 C09727 ko00941,ko01100,ko01110
Robinetin 302.0426528 4.7056 M-H 5281692 - --
Protocetraric acid 374.0637822 2.9143 M-2H+K 5489486 - --
Arabinonic acid 166.0477381 3.5601 2M-H 122045 C00878 ko00053,ko01100
Butein 272.0684736 5.7995 M+Na-2H 5281222 C08578 ko00941
Ochratoxin C 431.1135653 2.7931 M+Cl 20997 - --
Ononin 430.1263824 4.5359 M+HCOO 442813 C10509 ko00943
Bergaptol 202.0266087 6.032 M+CH3COO 5280371 C00758 ko00999,ko01110
Daphnetin 178.0266087 2.4732 M-H 5280569 C03093 --
Procyanidin B4 578.1424265 3.7257 M-H 147299 C10238 --
Adenosine-5'-phosphosulfate 427.0198995 1.6891 M+NH4-2H 10238 C00224 ko00230,ko00261,ko00920,ko01100,ko01110
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one 272.1048591 7.2762 M-H 821428 - --
Osthenol 230.0942944 5.3981 M+CH3COO 5320318 C18080 ko00999,ko01110
3,3-Dimethylglutaric acid 160.0735589 2.5336 M+HCOO 20984 - --
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 384.105647 2.6404 3M-2H 5318566 - --
N-Phthalyl-L-tryptophan 334.095357 6.3107 M-H 702558 - --
Dalbergin 268.0735589 7.2915 M- 442768 - --
Imperatorin 270.089209 5.0448 3M-H+Cl 10212 C09269 --
Kaempferitrin 578.1635559 4.0463 M+Cl 5486199 C16981 --
Isoquercitrin 464.0954763 3.8174 2M-H 5280804 C05623 ko00944,ko01100,ko01110
Chrysophanol 254.0579089 9.0547 M-H 10208 C10315 --
Aloe emodin 270.0528235 3.3719 2M-H 10207 C10294 --
Ginkgetin 566.1212971 2.7319 M-H 5271805 C10048 --
Juglone 174.0316941 3.7104 M+CH3COO 3806 C03840 --
Santonin 246.1255945 6.0165 M+Cl+NH3 221071 C02206 --
Lecanoric acid 318.0739529 2.1193 M-H 99613 C02868 --
Acacetin 284.0684736 4.2437 2M-H 5280442 C01470 ko00944
Chrysin 254.0579089 2.1193 2M-H 5281607 C10028 ko00941
Taxifolin 304.0583028 3.7716 M+Na-2H 439533 C01617 ko00941,ko01100,ko01110
Aucubin 346.1263824 2.8512 M+Na-2H 91458 C09771 --
Artemetin 388.1158177 5.49 M-H 5320351 - --
C.I. Basic Red 9 287.1422476 2.1345 M-H-C2H4 11293 - --
Thelephoric acid 352.0219173 3.9847 M-H 135464206 - --
Indirubin 262.0742276 8.065 M-H 10177 - --
Coumestrol 268.0371734 4.7208 M+CH3COO 5281707 C10205 ko00943,ko01110
Rhein 284.0320881 5.551 M-H 10168 C10401 --
Lucidin 270.0528235 8.445 M+Cl 10163 - --
Nobiletin 402.1314678 7.032 M+Na-2H 72344 C10112 --
Demethylalangiside 491.1791463 2.3187 M+Cl 443418 C11813 ko00950
Talampicillin 481.1307563 3.82 M-H-CH3 71447 - --
3-Pyridinebutanoic acid 165.0789786 1.9095 3M-2H+Na 114 - --
alpha-CEHC glucuronide 454.1838974 4.2897 M-H 134819285 - --
Bergenin 328.0794322 1.9665 M-H 66065 C09919 --
Podofilox 414.1314678 1.6277 M+Cl 10607 C10874 ko00999,ko01100,ko01110
Colchicoside 547.2053611 2.3494 M-H 92763 C17963 --
Tetrahydropapaveroline 287.1157581 1.6737 M+Cl 18519 C06350 --
Mesoxalic acid 117.9902232 0.4458 2M-H 10132 C00830 --
Betulinic acid 456.3603456 10.9921 M-H 64971 C08619 --
Biosone 470.3396101 11.3908 M-H 18526330 C02283 --
1-Kestose 504.1690352 9.0702 M+Cl 440080 C03661 --
Carbenicillin 378.0885571 0.9838 M-H+CF3COOH 20824 C06869 --
Acetoacetamide, N-(2-benzothiazolyl)- 234.0462983 4.5053 M-2H+Na 20820 - --
Guinea green B 690.1834211 6.527 M-H 20803 - --
5H-Benzocyclohepten-5-one, 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy- 564.1267764 5.0139 M-H2O-H 114777 - --
Isopalmitic acid 256.2402304 0.3241 M-H 36247 - --
[(1R,2R,6S,9R,12R,13R,15R,17S,18R,19R,20R)-19-acetyloxy-17-(furan-3-yl)-8,8,12,18-tetramethyl-4,11-dioxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-20-yl] acetate 540.2359329 2.2115 M+Cl 10951645 - --
Aspidospermine 354.2307283 6.1715 M-H-COCH2 227613 C09042 --
Proscillaridin 530.2879685 10.8382 M+Cl 5284613 C12816 --
Hederagenin 472.3552602 11.268 M-H 73299 - --
Ibipinabant 486.0684021 2.5036 M-H+CH3CN 9826744 - --
Asiatic acid 488.3501748 5.3374 2M-H 119034 C08617 --
4-Guanidinobutyric acid 145.0851267 5.7218 M+CH3COO 500 C01035 ko00330,ko01100
4-O-hexopyranosylhex-2-ulofuranose 342.1162117 1.8426 M+F 3872 - --
Curcumin 368.1259885 7.4287 M+F 969516 C10443 ko00945,ko01110
Adenosine Phosphate Disodium 391.0269702 9.5234 M-H 20712 C18344 --
Brown HT 652.0310551 3.5262 M+Cl 9570176 - --
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 610.1533851 2.9675 M-H 3549960 - --
Succinyladenosine 383.1077126 2.2422 M+Cl+NH3 20849086 - --
Homogentisic acid 168.0422588 2.0891 M-H 780 C00544 ko00130,ko00350,ko01100,ko01240
2-Chloro-N-[5-(4-fluoro-benzyl)-thiazol-2-yl]-acetamide 284.0186396 0.5971 3M+Cl 3133053 - --
Anhydrochlortetracycline 460.1037289 5.4595 M+NH4-2H 54693278 C18297 --
Rubinaphthin A 366.0950823 1.3211 M+2Cl 11760306 - --
Trehalose-6-phosphate 422.0825426 4.7208 M-H 122336 C00689 ko00500,ko01100,ko01110
3-Sulfopropanoic acid 153.9935941 0.7221 M+Cl 409694 - --
Filixic acid BBB 668.2832771 6.4193 M+Cl 197044 - --
Betulonic acid 454.3446955 10.2571 2M-2H+Na 122844 - --
Homoeriodictyol 302.0790383 5.753 M-H2O-H 73635 C09756 ko00941
Norwogonin 270.0528235 6.6801 M-H 5281674 - --
3-((3-fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenoxy)methyl)-1-(4-(methylsulfonyl)phenyl)-5-phenyl-1H-pyrazole 536.1781211 8.9473 M+Cl+CF3COOH 10459826 - --
Vandetanib 476.1049118 5.4776 M-H 3081361 - --
Rotenonone 406.105253 7.1229 2M-H 442819 - --
1-Isothiocyanato-8-(methylthio)octane 217.0958911 3.1122 M-H-C3H2O3 10171359 - --
1-Isothiocyanato-6-(methylthio)hexane 189.0645909 0.9149 M-H-CO 165224 - --
1-Isothiocyanato-7-(methylthio)heptane 203.080241 1.2749 M-H-CO 10125146 - --
(±)-erythro-Isoleucine 131.0946287 1.2443 M-H 791 C16434 --
Benanserin 294.1732134 7.0547 3M+2Cl 9925 - --
2-(4-Fluorophenyl)quinoline-4-carboxylic acid 267.0695568 5.5897 2M+Cl 723163 - --
KOdiA-PC 663.374749 9.0394 M-H 91885957 - --
N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide 544.1668075 4.0155 M+Cl 5312130 - --
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(2-iodophenyl)methanesulfonamide 520.0317613 0.5823 M-2H+Na 2904281 - --
Afatinib 485.1629957 4.7514 M+Cl 10184653 - --
2-(Acetyloxy)-3-methylbenzoic acid 194.0579089 3.0207 M+HCOO 78094 - --
3-Isochromanone 148.0524295 3.1425 M+CH3COO 78092 C07728 --
Methyl 5-((4-fluorophenoxy)methyl)furan-2-carboxylate 250.0641371 1.1066 M-H 889482 - --
5-{[3-(Trifluoromethyl)phenoxy]methyl}-2-furaldehyde 270.0503789 8.736 3M-H 3603021 - --
5alpha-Androstane 260.2504011 8.3687 M+Cl 94144 C01554 --
2-(Methoxycarbonyl)benzoic acid 180.0422588 2.7319 M+CH3COO 20392 - --
2-(2,5-Dihydroxy-4-methylphenyl)-5-methylbenzene-1,4-diol 246.089209 0.3394 M-H 220284 - --
Diffractaic acid 374.1365532 3.5107 M-H-CO2 94870 - --
Indolylmethyl glucosinolate 448.0610218 8.445 M+Na-2H 656506 C05837 ko00380,ko00966,ko01100,ko01110,ko01210
Lithocholic acid 376.2977453 9.8039 M+Cl 9903 C03990 --
Trimeprazine tartrate 746.3171769 0.8003 M+Cl+HCOOH 441236 - --
N-(4-bromo-2-fluorophenyl)-2-(4-isopropylphenoxy)acetamide 365.0426682 3.0207 M+Cl+NaCOOH 988593 - --
2-Nitro-5-(phenylthio)aniline 246.0462983 5.2841 M+Cl+NaCOOH 170737 - --
8'-apo-beta-Carotenol 418.3235661 6.5728 M-2H+K 5280991 C06733 --
Triadimefon 293.0931045 1.3058 M+K-2H 39385 - --
Ribose-5-phosphate 230.0191544 1.1373 M+Cl 77982 - --
Tripropylene glycol diacrylate 300.1572886 10.8459 2M-2H+Na 4128060 - --
N-Formylmethionine 177.045964 7.4287 M+Cl+NH3 439750 C03145 ko00270
Oxyfluorfen 361.0328703 6.0165 M+Cl 39327 C18881 --
Flumequine 261.0801215 6.6188 M- 3374 - --
6-Hydroxycyanidin 303.0504778 2.5248 M+Cl+NH3 441697 C08646 --
Sodium folinate 495.1478389 4.7056 M-H-C6H10O5 135612766 C17731 --
Flunixin meglumine 491.1879351 4.4438 M-H 39212 - --
D-Xylulose 5-phosphate 230.0191544 3.0819 M+CH3COO 439190 C00231 ko00030,ko00040,ko00053,ko00710,ko01100,ko01110,ko01200,ko01230
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide 438.0437202 0.8615 M-H-CH4 1328033 - --
Sinapaldehyde 208.0735589 4.5053 M-H2O-H 5280802 C05610 ko00940,ko01100,ko01110
2-(1-methyl-1H-imidazol-5-yl)acetic acid 140.0585775 2.0284 2M-H 6451814 - --
(1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol 126.0680796 1.9202 M+F 440399 C04592 ko01100
Trilobatin 436.1369471 3.6186 M-H 6451798 - --
4-Oxo-4-(pyridin-3-yl)butanoic acid 179.0582432 3.0054 3M-H 437 C19569 ko00760,ko01100
Bezafibrate 361.1080859 2.227 M-H 39042 - --
D-Tagatose 180.0633882 0.7697 M-H 439312 C00795 ko00052,ko01100
Bleekerine 408.168522 0.7301 M-H 441992 C09046 --
Dihydrophaseic acid 282.1467239 3.2646 M-H 11988272 C15971 ko00906
Proanthocyanidin A2 576.1267764 3.2801 M- 124025 C10237 --
Aurasperone B 606.1737266 0.7697 M+Cl+NaCOOH 179522 - --
Aurasperone C 592.1580765 1.3134 M-H-C6H10O5 179521 - --
D-Ribulose 5-phosphate 230.0191544 0.6903 M-H2O-H 439184 C00199 ko00030,ko00040,ko00710,ko00740,ko01100,ko01110,ko01200,ko01230,ko01240,ko01250
(-)-Steganacin 456.1420325 9.3778 M-H 443021 - --
D-Galactose 180.0633882 6.5116 M+Cl 6036 C00124 ko00052,ko01100
3,5-Dimethoxy-1,6-dihydroxyxanthone 288.0633882 6.6801 M-H 5281630 C10060 --
3'-Fucosyllactose 488.1741206 3.9693 M+Na-2H 161460 - --
Resorcinolnaphthalein 382.0841236 1.7965 M-H 337218 - --
Bussein B 858.3310152 3.0513 M+Cl 101606285 - --
Ile-Val 230.1630427 9.2398 M-H 449407 - --
Bromopride 343.0895381 6.4193 M-H 2446 - --
Met-Ile 262.1351134 8.9626 M+CH3COO 6451660 - --
Met-Thr 250.0987279 2.1961 M-H 7021822 - --
4-(Methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione 312.0633882 7.5643 M-H 14403 C06800 ko00254,ko01100,ko01110
4,4'-Thiobis-2-butanone 174.0714505 4.7514 M+Cl 61989 - --
Doxefazepam 348.0676983 3.7639 2M-2H+Na 38668 C19413 --
Biotin sulfone 276.0779924 5.7918 M+Cl 83863 C20387 ko00780
4,4,4-Trifluorobutyric Acid 142.0241641 9.0086 M-H 2777085 - --
15-Keto Travoprost 498.2229236 2.6251 M+K-2H 10207075 - --
Bursehernin 370.1416386 7.2149 M-H 94504 C21183 ko00999,ko01100,ko01110
Z-Pyr-ONp 384.095751 4.3668 M+Cl 7408213 - --
Glycitin 446.1212971 3.6033 M-H 187808 - --
Nitroxoline 190.0378421 8.065 M-H+CH3CN 19910 - --
Syringetin-3-o-glucoside 508.121691 4.4132 M-H 5321577 - --
1,4-Dithiane-2,5-diol 151.9965709 0.7221 M+Cl 98330 - --
4-Hydroxy-3-prenylbenzoic acid glucoside 368.1471179 3.4798 M-H+HCOOH 12312707 - --
Fluticasone furoate 538.1636942 10.9615 M-H 9854489 - --
1-(2-Hydroxyphenylamino)-1-deoxy-beta-D-gentiobioside 1,2-carbamate 459.1376754 6.001 M+Na-2H 22297200 - --
4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline 272.1061964 7.3222 M-H-CH4 447966 - --
l-Alanyl-l-glutamine 217.1062561 10.5778 M+K-2H 123935 - --
Cupressuflavone 538.0899969 9.774 M+CH3COO 5281609 - --
Eleutheroside E 742.268415 1.5508 M+Cl 71312557 C20786 --
Dexamethazone metasulfobenzoate sodium 598.1648744 1.7971 M+Cl 23672582 - --
Gal4Me(b1-4)Gal(b)-O-Me 370.1475118 2.0126 M+Cl+NH3 53477780 C05796 ko00052
5-tert-Butyl-1,3,4-thiadiazol-2-amine 157.0673681 3.1729 M-H+HCOOH 170170 - --
alpha-Glutamylaspartic acid 262.0801009 5.9234 M-H 99716 - --
5'-Fluoro-2'-hydroxy-4-methoxychalcone 272.0848726 0.7221 M-H 5708965 - --
9-Methoxycamptothecin 378.1215718 5.49 M-H+HCOOH 123617 - --
[2-(Hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate 512.1529912 5.815 M+Cl 3081484 - --
CID 91895359 686.2422002 4.0616 M-H 91895359 - --
Fludiazepam 302.062219 5.0139 M-H 3369 - --
Derricidin 308.1412446 6.1715 M+Cl 5961410 - --
Eriodictyol 7-O-glucoside 450.1162117 4.636 M-H 13254473 - --
beta-D-Glucose pentaacetate 390.1162117 3.5571 M+F 2724702 - --
Mucronine B 492.2736558 4.0155 M+Cl 5281593 C10010 --
Lapatinib 580.1347321 7.8836 M-H 208908 - --
Lapatinib Ditosylate 924.1735618 3.9084 M-H-H2O 9941095 - --
Flunixin 296.0772623 3.2493 M+Cl 38081 - --
Thiaburimamide 230.0659879 2.3649 3M-H 3034473 C11800 --
Brilliant Blue FCF 792.1221784 2.7625 M-H 19700 C19352 --
N-(4-iodophenyl)-3-oxobutanamide 302.9756266 1.1066 M-H 954382 - --
Aloenin 410.1212971 2.6865 M-H-H2O 162305 - --
(3r,11Bs)-9-methoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid 261.1364936 1.6891 M+Cl 242669 - --
17-phenyl trinor Prostaglandin A2 368.1987595 10.7765 M-H2O-H 58713918 - --
Phrymarolin I 488.1318618 4.2889 M-H 442932 C10737 --
Desoximetasone 376.2049878 11.3448 M+HCOO 5311067 D03697 --
trans-Sulindac 356.0882434 5.6907 M-H 1548885 - --
Piperacetazine 410.202799 3.1122 M+Cl 19675 - --
S-Acetyl dihydroasparagusic acid 194.0071356 2.9143 3M-2H 85798858 - --
Oglufanide 333.1324708 2.3619 M+CH3COO 100094 - --
2-(2-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline 241.082682 6.712 3M-2H+K 3714452 - --
Saracatinib 541.209197 3.5726 M+Cl 10302451 - --
Asp-Gly 190.0589715 5.0604 M+CH3COO 151148 - --
Nepodin 216.0786443 8.8111 M-H 100780 C09954 --
4H-1-Benzopyran-4-one, 5-hydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-, (+)- 594.1525972 3.5107 3M+2Cl 5490003 - --
Tetrafluorosuccinic acid 189.9889215 0.746 M-H-COCH2 67833 - --
Val-Arg 273.1800897 8.1553 M+Cl 444523 - --
Maraviroc 513.3279175 6.8487 M+Cl 3002977 - --
Estradiol propionate 328.2038449 4.1533 M+Cl 19571 - --
2,3-Dihydro-2-(3,4-dihydroxyphenyl)-3,5-bis(3,4,5-trihydroxybenzoyloxy)-4H-1-benzopyran-7-ol 594.1009556 5.6283 M-H 4320064 - --
Mandipropamid 411.123736 3.2034 M+Na-2H 11292824 C18522 --
N-((3-Ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl)-N-phenylacetamide 306.0496692 9.5181 M+Cl+HCOOH 1572737 - --
S-(5-methyl-1,3,4-thiadiazol-2-yl) 2-carbazol-9-ylethanethioate 339.0500035 6.3572 M-H-CO 1905987 - --
Paratensiol 541.2110269 9.1937 M+Cl 71463 - --
CID 119470 601.2958868 5.6438 M-H 119470 - --
2',4-Dihydroxy-4',6'-dimethoxychalcone 300.0997737 2.6251 M+Cl+NH3 6293081 - --
FFA(16:1) 254.2245803 10.9305 M-H 445638 C08362 ko00061,ko01100
Citrulline 175.0956914 5.3678 2M-H 9750 C00327 ko00220,ko01100,ko01110,ko01230
2-Oxoarginine 173.0800413 1.3518 M+Cl+NH3 558 C03771 ko00330,ko00470,ko01100
alpha-Hydroxytriazolam 358.0388165 9.0547 M-H 1963 - --
Oroxylin A glucoronide 460.1005616 4.3668 M+F 14655552 - --
4-(4-Chlorobenzyl)piperidine 209.0971273 6.8882 M+Cl 3732780 - --
Galactinol 342.1162117 4.3006 M+CH3COO 11727586 C01235 ko00052,ko01100
Glycerol 1-propanoate diacetate 232.0946883 9.0009 M-2H+K 20111767 - --
Cycloheterophyllin 502.1991535 3.5184 M-H 5316250 - --
Pyrasulfotole 362.0548123 5.6907 2M-H 11693711 - --
Desmethylalborixin 870.5704577 7.4587 M+Cl 9854219 - --
Thymidine-5'-phosphate 322.0566026 2.1042 2M-H 9700 C00364 ko00240,ko01100,ko01232
Methyl 5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate 299.9956143 1.6737 M-H 919751 - --
lividomycin A 761.3542103 5.1535 M-H 72394 C17707 ko00524
Monoglyceride citrate 266.0637822 4.7208 3M+Cl 3033853 - --
N-Butylbenzenesulfonamide 213.0823495 5.815 M+Cl+NH3 19241 - --
Bucladesine 469.1362499 10.6789 M+NH4-2H 9687 - --
Pterin H B2 237.0861893 3.6951 M+Cl 135398729 C06313 ko00790,ko01100,ko01240
UDP-alpha-D-xylose 534.0288068 6.3417 M+Cl 16667349 - --
Rhamnose 164.0684736 0.6129 M+K-2H 25310 C00507 ko00051,ko01100
Ascochitine 276.0997737 4.1982 M-H 73486 - --
Vaccinoside 536.1529912 4.0155 M-H 56776351 - --
3beta-Fluoroandrost-5-en-17beta-ol 292.2202439 10.593 M+Cl 247837 - --
3-Nitrotyrosine 226.0589715 2.8878 2M-H 65124 - --
(4,4a-dimethyl-7-oxo-6-propan-2-ylidene-2,3,4,5,8,8a-hexahydro-1H-naphthalen-2-yl) (E)-3-methylsulfanylprop-2-enoate 336.1759156 3.7716 M-H 131751866 - --
N-methyl-L-glutamic Acid 161.0688079 1.1524 M-H 439377 C01046 ko01100
5-phenylthieno[2,3-d]pyrimidin-4(3H)-one 228.0357336 1.2414 2M-2H+K 215639 - --
alpha-D-Galactosamine 1-phosphate 259.0457035 2.7051 2M-H 493587 C22029 ko00520,ko01100,ko01250
Dithieno[3,2-b:2',3'-d]thiophene 195.9475122 1.275 M-2H+K 137985 - --
5-(6,7-Dihydroxy-2-oxochromen-5-yl)-6,7-dihydroxychromen-2-one 354.0375674 5.0758 M-H 5317297 - --
(2,3-Dihydroxy-4-methoxyphenyl)(phenyl)methanone 244.0735589 8.5217 M-H 270559 - --
Isopentenyl pyrophosphate 246.0058268 4.906 M-H2O-H 1195 C00129 ko00900,ko01100,ko01110
H-Cys(1)-Tyr-Phe-Gln-Asn-Cys(1)-OH 774.2465312 5.6128 M+Cl+HCOOH 90471735 - --
DES(2-oxo-tetrahydropyrimidinyl)-2-oxo-4-hydroxy-tetrahydropyrimidinyl lopinavir 644.3573855 8.3079 M-H 486507 - --
Rubrofusarin 272.0684736 8.5593 M-H 72537 C09047 --
6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline 343.1796957 2.2728 M-H+HCOOH 9967941 - --
Fluocinonide 494.21161 4.8751 M-H-CO 9642 C07007 --
Azamethiphos 323.9736569 7.9292 M+HCOO 71482 C18702 --
1-S-[(1Z)-N-(sulfoxy)pentanimidoyl]-1-thio-beta-D-glucopyranose 375.0657728 4.7208 M-H-HCOOH 20843366 - --
Eprotirome 486.9454195 1.1066 M-H-C5H8O4 10299876 - --
Hallactone B 440.1141032 4.1982 2M-2H+Na 442036 C09105 --
Ethidium 314.1657227 4.4132 M-H 3624 - --
Bendamustine hydrochloride 393.0777602 3.4798 M-H+CH3CN 77082 - --
Hesperetin dihydrochalcone 304.0946883 5.0295 M+HCOO 147608 - --
(2R,3S)-Piscidic acid 256.0583028 2.0741 M-H-CO2 120693 - --
Diflubenzuron 310.0320617 3.0705 M+Na-2H 37123 C14427 --
Disulfide, bis(4-methyl-2-nitrophenyl) 336.0238483 5.1846 2M-2H+Na 98670 - --
Perphenazine maleate 635.1704283 4.2284 M-H-NH3 6444477 - --
4-Benzylsulfanylpyridine-3-sulfonamide 280.0340191 0.5669 3M+2Cl 901953 - --
Kinamycin D 454.1012303 2.5336 M+K-2H 135440049 - --
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone 272.1048591 9.5946 2M-H 169676 C09644 --
8-Quinolinesulfonamide 208.0306482 3.5416 M-H-COCH2 94464 - --
3-Aminopropionaldehyde 73.05276388 1.2134 M+Cl 75 C05665 ko00410,ko00770,ko01100,ko01240
5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2,3-triol 260.0684736 5.1535 2M-H 9859982 - --
Naphthyl-2-methyl-succinic acid 258.089209 7.8267 M+Na-2H 656886 C14115 --
5-O-phosphono-alpha-D-ribofuranose 230.0191544 4.5359 M+CH3COO 440101 C03736 --
5'-phosphoribosyl-N-formylglycinamide 314.0515172 1.2289 M-H2O-H 130805 C04376 ko00230,ko01100,ko01110
Hyenanchin 310.105253 3.349 3M-2H+K 442276 C09502 --
Hydroxy Dehydro Nifedipine Lactone 328.0695362 3.2646 3M-H 13599652 - --
Prothiofos 343.9628136 0.6745 2M+Cl 36870 C18405 --
Deoxybrevianamide E 351.1946771 4.8751 M+Cl 182203 C20636 --
Fenoprofen 242.0942944 4.5359 M+HCOO 3342 C06997 --
Ketotifen 309.118735 5.7218 M+Cl+HCOOH 3827 - --
Loperamide hydrochloride 512.1997339 7.6733 M+Cl 71420 - --
Halacrinate 312.9326761 1.7811 M-H 114868 C18941 --
S-Isopropyl 3-methylbut-2-enethioate 158.0765358 2.0052 M-H 118658 - --
1,2-Didecanoyl-sn-glycero-3-phosphocholine 565.374355 8.3382 M+Cl 16219892 - --
8-[5-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 540.105647 5.138 M-H 16066857 - --
[Ile3] Pressinoic Acid 740.2621813 4.0924 M-H-CH4 468802154 - --
Glucoemodin 432.105647 8.9779 M+CH3COO 22297291 - --
Angiotensin I/II (5-8) 512.2747184 9.4568 M+F 9806448 C20972 --
Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) 532.121691 6.2796 M+Cl 5282148 - --
Propylthiouracil N-b-D-glucuronide 346.0834717 3.036 M+Cl 29986688 - --
Citco 436.9738964 1.122 M-H 9600409 - --
Isoflupredone acetate 420.194817 3.2646 2M-2H+K 224246 - --
Oxalate 87.97965852 0.7221 M+K-2H 71081 - --
(-)-Bilobalide from ginkgo leaves 326.1001677 3.6033 M+CH3COO 12308750 - --
Diflorasone diacetate 494.21161 2.4141 M+Cl 71414 - --
Fucoxanthin 658.4233398 8.6118 M+Na-2H 5281239 C08596 --
Taxuyunnanine P 486.2464976 4.9517 M+Cl 12050611 - --
Methylpicraquassioside A 412.1369471 1.5508 M+CH3COO 85363137 - --
Etoposide 588.1842913 2.7168 M+HCOO 36462 C01576 --
Phe-his 302.1378905 2.6865 M-H 9966159 - --
4-Chloro-1-((4-(2-pyridyl)piperazinyl)sulfonyl)benzene 337.0651752 0.754 M-H-CO2 785520 - --
Diazinon 304.1010503 4.9364 M+Cl 3017 C14324 --
Rutaevin 486.1889827 9.6382 M+Cl 441805 C08779 --
Glucosyringic acid 360.105647 1.6277 M-H-C6H10O5 10383888 - --
Bromamid 270.0367743 2.059 3M+Cl 68839 - --
Betrixaban 451.1411174 2.5942 M-H 10275777 - --
(3z)-N,N-Dimethyl-2-Oxo-3-(4,5,6,7-Tetrahydro-1h-Indol-2-Ylmethylidene)-2,3-Dihydro-1h-Indole-5-Sulfonamide 371.1303623 1.9357 M-H 5312137 - --
6-Carboxyfluorescein 376.0583028 2.0741 M-H-CO 76806 - --
Ferreirin 302.0790383 9.5157 M-H2O-H 442771 C10419 --
C646 445.1273855 8.9473 M-H+CF3COOH 1285940 - --
Oxoglutaric acid 146.0215234 1.2134 M+CH3COO 51 C00026 ko00020,ko00040,ko00053,ko00220,ko00250,ko00300,ko00310,ko00340,ko00430,ko00470,ko00630,ko00650,ko00660,ko01100,ko01110,ko01200,ko01210,ko01230,ko01240
Oxalacetic acid 132.0058733 1.1373 M+CH3COO 970 C00036 ko00010,ko00020,ko00250,ko00470,ko00620,ko00630,ko00710,ko00999,ko01100,ko01110,ko01200,ko01210,ko01230,ko01240
Lorazepam glucuronide 496.0440211 3.6645 M+K-2H 62966 - --
Tricin 7-glucuronoside 506.106041 1.9047 M-H+CH3CN 74977751 - --
7-(4-Fluoro-phenyl)-5-hydroxy-benzo[1,3]oxathiol-2-one 262.0099931 0.738 3M-H+Cl 693040 - --
Ethyl 4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylate 276.0409571 9.0547 2M-2H+Na 796719 - --
4,4,4-Trifluoro-1-(5-methylthiophen-2-yl)butane-1,3-dione 236.0118849 4.4591 2M-2H+Na 255120 - --
1-Oleoyl lysophosphatidic acid sodium salt 458.2409335 10.1229 M+HCOO 44159357 - --
1-[(4-fluorophenyl)sulfonyl]-2-methyl-1H-benzimidazole 290.0525266 3.7563 M-H 804705 - --
2,3-Diphenylquinoxaline-6-carboxylic acid 326.1055278 2.9143 M-H 629852 - --
Ser-Met 236.0830778 5.49 2M-H 151087 - --
7-Acetoxy-2-methylisoflavone 294.089209 4.6287 M+Cl+CF3COOH 268208 - --
Isocitric acid 192.0270027 1.1524 2M-H 1198 C00311 ko00020,ko00630,ko01100,ko01110,ko01200,ko01210,ko01230,ko01240
Fenamiphos sulfone 335.0956306 5.8771 3M+2Cl 36028 - --
Axitinib 386.120132 1.9202 M-H 6450551 - --
3-Hydroxyisobutyryl-CoA 853.1519895 3.5648 M+F 88 C06000 ko00280,ko01100
Oxoadipic acid 160.0371734 7.6553 M-H2O-H 71 C00322 ko00300,ko00310,ko00380,ko01100,ko01110,ko01210,ko01230,ko01240
Eriodictiol-7-glucoside 464.1318618 6.504 M+Cl 147394 - --
propionyl-CoA 823.1414248 6.7415 M+Cl+NH3 92753 C00100 ko00280,ko00410,ko00630,ko00640,ko00660,ko01100,ko01110,ko01200
Aminophylline 420.1981994 3.5262 M-H-C4H8 9433 - --
Thioproperazine 446.1810177 2.2423 3M-H+Cl 9429 - --
Ethyl 2,4-dihydroxy-3,6-dimethylbenzoate 210.089209 4.6596 M+Na-2H 3084545 - --
Ethyl 2-amino-4-(4-isopropylphenyl)thiophene-3-carboxylate 289.1136496 3.036 M+Cl 703924 - --
Panasenoside 610.1533851 3.1766 M-H 13647412 - --
D-Glycero-D-gulo-heptose 210.0739529 5.2611 M+Cl 76599 - --
Etamiphylline 279.169525 1.9665 M+Cl 28329 - --
glutaryl-CoA 881.1469042 5.6828 M-H 3081383 C00527 ko00071,ko00310,ko00380,ko01100,ko01110
Aristolochic acid 341.0535518 7.8073 M-H 2236 C08469 --
4-[[4-(4-Chlorophenyl)-2-thiazolyl]amino]phenol 302.0280614 0.6129 M-H 753704 - --
Dexamethasone phosphate 472.1662333 10.6635 M-H2O-H 9400 - --
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid 476.0954763 0.3394 M-H+CF3COOH 5318059 - --
Isovaltrate 422.1940681 9.2398 M+Cl 92275 - --
n-[4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-pyridinecarboxamide 382.1542093 4.7821 M-H+CF3COOH 4327 - --
Dehydrorabelomycin 320.0684736 3.2493 2M-H 443801 - --
Halcinonide 454.1922302 8.0389 M+Cl 443943 C74589 --
4,11-Dichloro-5,12-dihydroquino[2,3-b]acridine-7,14-dione 380.0119331 0.5669 M-H 76529 - --
Aloesin 394.1263824 3.4025 M-H 160190 C08994 | C15539 --
4-Chloro-5-sulfamoylanthranilic acid 249.9815052 2.0129 M-H 76523 - --
4-Oxododecanedioic acid 244.1310739 1.8273 M+Cl+HCOOH 13213508 - --
2-(n-Heptanoyl)thiophene 196.0921859 5.97 M-H+CF3COOH 141581 - --
1-[5-(Trifluoromethyl)pyridin-2-yl]-1,4-diazepane 245.1139822 1.951 M+Cl 2760779 - --
Withanolide D 470.2668391 10.5323 M-H-C2H4 161671 C08842 --
Cmp-nana 614.1472682 8.216 M-H 18292 - --
5,6-Dimethyl-2-(methylamino)-4-pyrimidinyl dimethylcarbamate 224.1273258 7.1382 M+Cl 93139 - --
2,2-Diphenylglycine 227.0946287 1.3978 2M-H 18289 - --
Hydroxyphenyllactic acid 182.0579089 6.5116 M+Na-2H 9378 C03672 --
3-Methyladipic acid 160.0735589 3.0207 2M-H 12292 - --
Colfenamate 338.087827 0.8155 M-H 198806 - --
Bougainvillein-r-I 712.1963126 2.0284 M+Cl 11953903 C08541 --
Chlorambucil 303.0792844 8.445 M+Cl 2708 C06900 --
2,8-Dihydroxyadenine 167.0443244 4.3051 2M-2H+Na 92268 - --
6-Methoxyflavanone 254.0942944 8.491 M-H 97860 - --
AICA ribonucleotide 338.0627506 2.899 M+CH3COO 65110 C04677 ko00230,ko00340,ko01100,ko01110
Clofenoxyde 322.0163498 5.4518 2M-H 194699 - --
Ochratoxin A 403.0822651 2.4577 M-H 442530 C09955 --
7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one 352.0558582 7.6856 M-H-CH4 5322368 - --
3-({5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propanoic acid 268.0340191 5.8305 M-H 719976 - --
Sedoheptulose 210.0739529 0.754 M-H2O-H 5459879 - --
CK1 Inhibitor 398.1378905 7.6553 M-H 6419753 - --
5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione 312.0746216 0.754 M-H-C6H8O6 2177166 - --
Tianeptine sodium 458.1042985 7.4287 M+Cl 23663953 - --
9,10-12,13-Diepoxyoctadecanoate 312.2300596 7.7616 3M+2Cl 18172 - --
Cleistanthin B 542.1424265 5.1302 M+Cl+HCOOH 119458 - --
2,2'-Azobis(2-methylpropionamidine) dihydrochloride 270.1126502 3.6492 M-H 76344 - --
3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide 273.0323342 0.8003 M-H 3015486 - --
N-Ethyl-N-[(heptadecafluorooctyl)sulphonyl]glycine 584.9902582 3.8632 M+Cl 18134 - --
Eledoisin Related Peptide 706.4200025 4.8751 M-H+NaCOOH 151058 - --
D-Amygdalin 457.1584109 6.7568 M-H+CF3COOH 2180 C08325 ko00460,ko01100,ko01110
Silidianin 482.1212971 2.8839 M+K-2H 11982272 - --
Oxyresveratrol 244.0735589 8.9171 M-H 5281717 - --
Galactose-uridine-5'-diphosphate 566.0550216 1.1373 M-H+CH3CN 18068 C00052 ko00052,ko00520,ko01100,ko01250
17-trifluoromethylphenyl-13,14-dihydro trinor Prostaglandin F2alpha 458.228009 8.4144 M-2H+Na 52194022 - --
Unii-72U0C7paav 606.2366016 10.5323 M-H 101588305 - --
N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide 225.0571974 0.7061 M-H 739358 - --
Enterocin 900 451.2511294 10.8227 M+Cl+HCOOH 207212 - --
Isodeoxyelephantopin 344.1259885 4.844 M+Cl+NaCOOH 99904 - --
N-Nitrosofolic acid 470.1298451 3.3872 3M-H+Cl 135565414 C19480 --
3-Dehydroshikimate 172.0371734 1.1828 2M-H 439774 C02637 ko00400,ko00999,ko01100,ko01110,ko01230,ko01240
Methylprednisolone hemisuccinate 474.2253682 7.7009 M-H 16923 - --
Ethyl loflazepate 360.0676983 1.9047 2M-H 3299 - --
Procyanidin B2 578.1424265 2.96 M-H 122738 C17639 --
N-tert-butyl-4-fluorobenzenesulfonamide 231.0729277 5.3526 M-H 669058 - --
1,3-Dimethyl 2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate 321.0460218 1.9357 M-H 2763558 - --
3',4',5'-Trimethoxytricetin 7-[rhamnosyl-(1->6)-glucoside] 652.2003353 2.227 M-H 76401292 - --
Persiconin 478.1475118 11.0228 M+HCOO 42608082 - --
Triazolam 342.0439019 6.1095 M-H 5556 - --
2-Hydroxyglutarate 148.0371734 1.0911 M+K-2H 43 C02630 ko00650,ko00660,ko01100
Bromadiolone 528.0764446 5.0448 M-H 54680085 C18596 --
Rosuvastatin 481.1682847 2.3187 M-2H+K 446157 - --
2-alpha-D-glucosyl-D-glucose 342.1162117 6.6188 M-H2O-H 11954203 - --
Orientin 448.1005616 2.5637 M+Cl 5281675 - --
n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide 454.0518894 2.7319 M+CH3COO 2726015 - --
7-Hydroxy-2-methyl-3-phenyl-4H-chromen-4-one 252.0786443 2.0129 2M-H 5380976 - --
NCGC00385507-01_C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside 343.0903313 4.1229 M+Na-2H 51136558 - --
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)- 412.1780408 9.604 M+Cl 9866368 - --
3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one 312.0544184 6.7196 2M-H 135418940 - --
Bumetanide 364.1092926 6.8028 2M-H 2471 - --
Cyanidin 3-O-rutinoside 595.1662955 4.844 M+NH4-2H 441674 C08620 ko00942
CID 476785 288.0845176 6.7721 2M-H 476785 - --
Diospyrin 374.0790383 10.8382 M-H 308140 - --
Pentacarboxylporphyrin I 698.2587936 8.1402 M-H-H2O 168756 - --
4-Chloro-4'-hydroxybiphenyl 204.0341927 0.6129 M-H 91589 - --
Imidocarb 348.1698593 3.2774 M+K-2H 21389 - --
Nicergoline 485.1140591 8.9932 M+NH4-2H 34040 - --
5-(4-Hydroxyphenyl)-5-phenylimidazolidine-2,4-dione 268.0847923 3.4953 M+K-2H 17732 - --
Loxapine succinate 445.1404487 7.5643 M-H-C2H4 71399 - --
p,p-Bis(1-aziridinyl)-N-(p-tolyl)phosphinic amide 237.1030992 4.2897 3M-2H+K 617003 - --
N-butyl-3,5-dinitrobenzamide 267.0855206 1.1373 2M-2H+K 344853 - --
4-Acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid 453.996313 8.4297 M-H 5282250 - --
Garcinia acid 208.0219173 0.8919 M+Cl+HCOOH 123908 - --
Geniposidic acid 374.1212971 2.3958 M-H 443354 - --
Naphthyl glucuronide 320.089603 3.7716 M-H 152936 - --
D-erythro-D-galacto-Octitol 242.1001677 3.418 3M-2H 219890 - --
2-(Methylsulfonyl)-5-(trifluoromethyl)-1,3,4-thiadiazole 231.9588034 0.7697 M+Cl 5062481 - --
5,7-Dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside 460.1369471 11.0688 M-H 131752779 - --
Ensulizole 274.0412129 2.9143 M+CH3COO 33919 - --
[(1R,3S,4R,8R,9E,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate 378.1314678 4.8751 M-H 22524143 - --
Suxibuzone 438.1790867 4.6315 M+Cl 5362 - --
(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate 554.3607395 9.101 M+Na-2H 131752047 - --
LPC(0:0/18:2) 519.3324902 8.095 M-H 71768169 - --
Glucodistylin 466.1111263 7.1078 M+CH3COO 14187088 - --
D-Mannose 1-phosphate 260.0297191 0.7061 M-H 644175 - --
2-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-(octyloxy)phenol 509.3042276 4.6903 M+Cl 135414248 - --
Ketazolam 368.0927702 4.7357 M+Cl+CF3COOH 33746 - --
Dihydromyricetin 320.0532175 7.9292 M-H2O-H 161557 C02906 ko00941,ko01110
1-(Toluene-4-sulfonyl)piperazine 240.0932485 5.3526 M-2H+Na 704295 - --
Benzofuran 118.0418648 2.9598 M-H 9223 C14512 --
2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol 436.1796189 10.7152 M+Cl 25137855 - --
Oxiglutatione 612.1519621 4.8285 M-H 65359 C00127 ko00480,ko01100,ko01240
Cyperaquinone 242.0579089 6.9329 M+HCOO 117898 C10322 --
Udenafil 516.2518745 3.9264 M-H+NaCOOH 135413547 - --
Myoseverin 432.2273743 2.2115 M-2H+Na 4273 - --
Trimethyl 1,2,3-benzenetricarboxylate 252.0633882 1.3671 M+Cl 520281 - --
4',5-Dihydroxy-3,3'-dimethoxy-6,7-methylenedioxyflavone 4'-glucuronide 534.1009556 2.0741 M-H 73829990 - --
Caulerpin 398.1266572 2.2881 M-H 5326018 C17097 --
Apiin 564.1479058 8.5518 M+Cl 5280746 C04858 ko00944
Telomestatin 582.0706156 5.4441 M+Na-2H 443590 - --
C.I. Acid Blue 9 782.2113912 7.1078 M-H 17559 C20336 --
NADPH(4-) 741.0598036 1.4433 M+Cl 15983949 - --
Sedoheptulose 7-phosphate 290.0402838 3.0819 2M-H 165007 C05382 ko00030,ko00710,ko01100,ko01110,ko01200,ko01230,ko01250
Dulxanthone F 384.1209031 5.49 M+CH3COO 10500218 - --
2,3',4,6-Tetrahydroxybenzophenone 246.0528235 6.1095 M-H 440991 C06355 --
Acadesine 258.0964196 5.9079 2M-H 17513 - --
D-Fructose 6-Phosphate-Disodium Salt 260.0297191 1.2289 M- 22812950 - --
N-(2-Phenylethyl)indomethacin Amide 460.1553705 2.9449 M-H 4292 - --
N-(4-Acetamidophenyl)indomethacin Amide 489.1455341 8.05 M+HCOO 4090966 - --
Uridine diphosphate glucuronic acid 580.0342861 1.1524 M-H 17473 C00167 ko00040,ko00053,ko00520,ko01100,ko01240,ko01250
Naproxen sodium 252.076237 3.2954 3M-H 23681059 - --
Hexaethylene glycol 282.1678533 1.8503 M+Cl 17472 - --
2,2-Dihydroperoxypropane 108.0422588 1.5201 M-H 15908632 - --
Rhodojaponin III 9,11-diacetate 452.2410183 7.3069 M+Na-2H 101306700 - --
Chicago blue 904.0444619 0.5823 M-H 17461 - --
Sulforhodamine B 558.1494429 6.5575 M-H 65191 - --
Aquayamycin 486.1525972 8.4399 M-H 73441 - --
Se-methylselenocysteine 182.9798614 1.1066 M+Cl 147004 C05689 ko00450,ko01100
Fosfomycin sodium 181.9720811 2.5789 M+CH3COO 73491 - --
Allura Red AC 495.9986923 1.6277 M-H 33258 - --
Gentianose 504.1690352 8.673 M+Cl 117678 C08239 --
3'-Hydroxydehydroaglaiastatin 540.1896514 7.5718 M-H 10792539 - --
Indoleacetaldehyde 159.0684139 4.1076 M-H 800 C00637 ko00380,ko01100
Firefly luciferin 279.9976336 4.4746 M-H 92934 C02740 --
4-Methylumbelliferone sulfate 256.0041588 3.9009 M+CH3COO 84843 - --
3,3'-(1,3,4-Oxadiazole-2,5-diyl)dianiline 252.1011111 3.1729 M-H-C4H8 745991 - --
Fospropofol disodium 332.0765462 4.3668 M+Cl+HCOOH 3038497 - --
(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[[(Z)-4-oxo-4-phenylbut-2-en-2-yl]amino]propanoic acid 510.2154722 10.8304 M+Cl 446642 - --
Methyl 2-[4-(nitrooxymethyl)benzoyl]sulfanylbenzoate 347.0463579 1.2344 M-H-CO 10521574 - --
Phe-Phe 312.1473926 5.0758 M-H 6993090 - --
Phyriaporphyrin 786.2384522 4.6132 M-H 168414 - --
[4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol 834.2159854 7.1536 M-H 131752563 - --
Tutin 294.1103384 3.1274 M-H-H2O 75729 C09570 --
Lonicerin 594.1584705 3.6033 M+Na-2H 5282152 C12630 ko00944
Cerberin 576.3298334 9.1474 M+Cl+NH3 10031063 C19984 --
Bruceine C 564.2206768 3.1425 M+Cl+CF3COOH 5315509 - --
Afzelechin 274.0841236 7.0168 M-H2O-H 442154 C09320 ko00941,ko01110
Bovinic acid 280.2402304 10.5173 M+Na-2H 5280644 C04056 ko00591
Menisperine 356.1861834 8.6423 M-H-CH3 161487 - --
Food Green S 554.1181427 5.2153 M-H 91394 - --
2-(3,5-dichloro-4-hydroxybenzylidene)-1H-indene-1,3(2H)-dione 317.9850496 0.4159 M-H-C3H2O3 323042 - --
C.I. Acid Green 5 748.158293 3.5262 M-H 452941 - --
Derenofylline 308.1637113 3.6339 M+Cl 9953065 - --
2,3-Dehydrosilybin 480.105647 5.5663 M-H+CH3CN 5467200 - --
Acevaltrate 480.1995474 10.7919 M+Cl 65717 - --
S-Lactoylglutathione 379.1049355 1.4129 M-H 119450 - --
Clobetasol 410.1660154 8.2773 M-H+CF3COOH 5311051 - --
5-Methoxytryptophan 234.1004424 2.0612 M+K-2H 151018 - --
Rutin trihydrate 664.1850792 2.4422 M+Cl 16218542 - --
4,4'-Dinitrostilbene 270.0640569 4.0463 2M-H 5377860 - --
Hesperetin 7-O-glucoside 464.1318618 7.2149 M+CH3COO 20111686 - --
Bisdemethoxycurcumin 308.1048591 9.8489 M-H 5315472 - --
Chlormephos 233.9704858 0.4309 M-H-HCOOH 32739 C18686 --
Aceglutamide 188.0797069 3.1881 M+HCOO 182230 - --
His-Met 286.1099612 1.9357 M+Cl 7408103 - --
L-Asparaginyl-L-Arginine 288.1546032 4.2437 M-H 14299174 - --
Vanillactic acid 212.0684736 2.7778 M-H+CH3CN 160637 - --
6-Geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate 640.4491606 10.4424 M+Cl 15491080 - --
Oxypurinol 152.0334254 1.1524 M+Na-2H 135398752 C07599 --
Zucchini factor B 663.4287595 10.5323 M-H 131751591 - --
Phe-Trp 351.1582916 6.3262 M+Na-2H 134906 - --
4'-Hydroxywarfarin 324.0997737 2.1499 M-H 54682146 - --
psi-Rhodomyrtoxin 428.1835034 2.1042 M-H 441926 C08951 --
Epoxyoleic acid 298.2507951 9.0702 M-H 119250 - --
Ethinylestradiol-3-sulfate 376.1344447 3.0971 M-H 68575 - --
Amritoside 626.1119143 2.7168 M-H 73981613 - --
Geniposide 388.1369471 2.4422 M-H2O-H 107848 C09781 --
Dihydroprudomenin 494.1424265 3.0207 M-H 131752616 - --
Isochlorogenic acid A 516.1267764 3.0207 M+Cl 6474310 C02733 --
(1R,6R,11S,13S,14R,21R)-7,19,23-triazahexacyclo[9.9.1.11,13.12,6.07,21.014,19]tricosane 315.2674482 6.481 M+CH3COO 476521 - --
s-Hexylglutathione 391.1777065 3.588 M-H2O-H 97536 C02886 --
2'-C-Methylmyricetin 3-rhamnoside 5'-gallate 630.122085 3.5571 M-H 74978295 - --
Chinomethionat 233.9921542 4.4591 M-H+CF3COOH 17109 - --
Vidarabine monohydrate 285.1073187 0.754 M+Cl+CF3COOH 32326 C07195 --
Hexanethioic acid S-propyl ester 174.107836 0.746 3M-2H+Na 538678 - --
D-Ribulose 1,5-bisphosphate 309.9854854 2.599 M+CH3COO 123658 C01182 ko00630,ko00710,ko01100,ko01110,ko01200
alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol 256.0170184 3.4644 2M-H 32238 - --
(Z)-5-[(1R,2R,3S,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid 326.2093242 6.001 M-H 5283032 - --
2-(4-Chlorobenzylthio)-1H-benzo[d]imidazole 274.0331468 4.2437 M-H-H2O 244821 - --
28-Hydroxy-6-methyl-5-tritriacontanone 508.5219316 2.5036 M-H 15872108 - --
N-Acetyl-L-tryptophanamide 245.1164268 2.5942 M+Cl 94230 - --
L-Selenocystathionine 270.0119082 1.0898 M+Na-2H 441455 C05699 ko00450,ko01100
Methylprednisolone sodium succinate 496.2073109 8.37 M+Cl+NaCOOH 23680530 - --
3,4-Methylenedioxycinnamic acid 192.0422588 7.8378 2M-H 643181 C18077 --
2-Chloro-4-biphenylol 204.0341927 6.6648 M+F 79688 - --
o-Tyrosine 181.0738933 1.9047 M-H 91482 - --
Difluprednate 508.22726 1.4129 M+K-2H 443936 C12695 --
Musizin glucoside, 6-hydroxy 394.1263824 4.9212 M-H 338716 - --
Daunorubicin hydrochloride 563.1558241 4.5514 M+Cl 62770 - --
Rugulosin 542.1212971 9.2858 M-H2O-H 62769 - --
Phenazine-1,6-dicarboxylic acid 268.0484068 3.0819 M+Cl 193025 - --
Lignan P 562.1686412 5.3374 M-H+HCOOH 159949 - --
1,6-Digalloyl-beta-D-glucopyranose 484.0853055 2.839 2M-H 3332212 - --
L-Ascorbic acid 2-phosphate 255.998419 0.4309 M-H2O-H 54679073 - --
CID 440908 312.1209031 9.2167 2M-2H+Na 440908 C06080 ko00909
Fluorescein 332.0684736 1.298 M-H 16850 - --
Oxymetazoline hydrochloride 296.1655412 3.9541 2M-H 66259 - --
(1R,18S,19R,20S)-19-Ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one 498.2002161 4.5668 M+Cl 10163855 - --
Propargite 350.1551801 9.1164 M-H 4936 C18602 --
Corilagin 634.0806141 7.9442 M-H 73568 C10219 --
1,3-Dihydroxy-6-methoxy-8-methyl-9-xanthenone 272.0684736 4.8906 M-H 5377914 - --
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-[[(Z)-tetracos-15-enoyl]amino]heptadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium 799.669301 4.3438 M-H-C2H4 52931208 - --
Silibinin 482.1212971 4.3515 2M-H 31553 - --
Asp-Tyr 296.1008363 3.8174 M+HCOO 152455 - --
2-[4-[3-[2-(2-Chloro-6-fluorophenyl)ethyl-[(2,3-dichlorophenyl)carbamoyl]amino]propyl]phenoxy]-2-methylpropanoic acid 582.107448 3.5107 M-H 1517 - --
quercetin 3-O-glucuronide 478.0747408 3.8632 M-H 5274585 - --
Torachrysone 246.089209 8.065 M-H 5321977 C17672 --
Demethoxycurcumin 338.1154238 7.4587 M+CH3COO 5469424 - --
alpha-D-Galactose 1-phosphate 260.0297191 3.0819 M+HCOO 123912 C00446 ko00052,ko00520,ko01100,ko01250
1-(4-Fluorophenyl)piperazine 180.1062767 5.1846 3M+Cl 75260 - --
Diflunisal 250.0441506 3.7716 M+Cl 3059 C01691 --
S-Benzoylthiamine O-monophosphate 466.1075923 3.5726 M-H 3032771 - --
4'-Methyl-3-chloropropiophenone 182.0498427 3.1654 M+Cl 235084 - --
Pithecolobine 382.3671622 8.216 M+Cl 442870 C10611 --
Mirabegron 396.1619968 1.8273 3M-2H 9865528 - --
Pterin 163.0494098 3.3142 2M-H 135398660 C00715 --
Vitisifuran B 904.251977 5.8305 M-H 131751783 - --
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide 421.0432 2.2422 M+HCOO 2455 C74150 --
Evodol 484.1733327 3.4644 M-2H+K 185481 - --
Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione 348.0898777 2.1652 M+Cl+CF3COOH 89649 - --
Loganic acid 376.1369471 1.3518 M+Na-2H 89640 C01512 ko00902,ko01110
Carboxytolbutamide 300.0779924 2.3187 M-H 159651 - --
Pyrantel pamoate 594.1824575 2.2728 M-H-CH4 5281033 C07389 --
Pinosylvin 212.0837297 6.7721 M+HCOO 5280457 C01745 ko00945,ko01110
Benzoylmalic acid 238.0477381 3.6033 M+Cl 13953341 - --
Lumiracoxib 293.0618847 6.1095 M+Cl 151166 - --
Metrafenone 410.0554467 2.1345 2M-2H+K 6451057 - --
Ketoprofen 254.0942944 8.2952 M-H 3825 C01716 --
Diphyllin 380.089603 5.6595 M-H 100492 - --
5-(morpholin-4-ylsulfonyl)-1H-indole-2,3-dione 296.0466923 4.1833 M+Cl 8027611 - --
Kaempferol 7-cellobioside 3-sophoroside 934.2590321 6.3572 M+Cl 74978112 - --
Imatinib mesylate 589.2471235 5.2382 M+Cl+NaCOOH 123596 - --
2-Oxophytanic acid 326.2820952 9.9839 M-H-C2H4 3082203 - --
Ixabepilone 506.2814433 5.5818 M-H-CO2 6445540 - --
Glucoerucin 421.0534936 4.7208 M+NH4-2H 656539 C08409 ko00966,ko01110,ko01210
Penoxsulam 483.0635805 3.0971 M+Cl 11784975 C13421 | C18481 --
3,3',4',5,6,8-Hexamethoxyflavone 402.1314678 5.714 M+CH3COO 129848680 - --
Rubroskyrin 574.1111263 3.234 M-H 119082 - --
(S)-2,3-Dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 5-[glucosyl-(1->4)-b-D-glucoside] 547.1537195 2.7778 M+Cl 131751605 - --
Epoxideoxycorticosterone acetate 386.2093242 11.1759 M+Na-2H 227111 - --
Olanexidine hydrochloride hydrate 834.2900588 4.5823 M-2H+K 636390 - --
4-Methoxybenzenepropanol 1-(2-sulfoglucoside) 408.1090178 2.899 M-H 74087011 - --
Allyl propyl disulfide 148.0380418 5.49 M+Cl 16591 - --
Diallyl disulfide 146.0223918 1.1373 M-H 16590 C08369 --
Demethylnobiletin 388.1158177 1.951 M+K-2H 358832 - --
Spectinomycin dihydrochloride 404.1117068 4.7056 2M-2H+K 64740 - --
Carfecillin sodium 476.1017999 0.6583 M+Cl 23674995 - --
Fluometuron 232.0823477 6.5116 M-H 16562 C18853 --
6,8-Difluoro-7-hydroxy-4-methylcoumarin 212.0285005 4.2897 3M-H 10176707 - --
Glucosamine 1-phosphate 259.0457035 2.2575 2M-H 188960 C06156 ko00520,ko01100,ko01250
Persenone B 354.2770099 6.5116 M+F 9975455 - --
Metsulfovax 232.0670338 3.588 2M-H 88916 C18934 --
L-Methionine, L-tryptophyl- 335.1303623 6.1095 M+NH4-2H 7020173 - --
Picrotin 310.105253 2.3187 M-H 442291 C09528 --
4-Methylsulfinylbutyl glucosinolate 437.0484082 1.7658 M-H 9548634 - --
N2,N2-Dimethylguanosine 311.1229688 8.1402 M- 135501639 C74036 --
Butyryl-CoA 837.1570749 3.1122 M- 265 - --
Nifenazone 308.1273258 6.0474 M-H2O-H 4487 - --
Flumethasone 410.1904806 4.3977 M-H 16490 - --
Orthosulfamuron 424.1165032 2.9296 2M+Cl 11091168 - --
5-Carboxyvanillic acid 212.0320881 1.812 M-H 16488 C18338 --
Glyurallin A 352.1310739 8.4604 M-H 15818598 - --
Acetylsulfamethoxazole 295.0626767 8.3397 M-H 65280 C13061 --
Trigallic Acid 474.0434407 0.5971 M-H 90470472 - --
Epsilon-pyrromycinone 428.1107324 4.5389 M+CH3COO 159908 - --
Ethyl 1-naphthaleneacetate 214.0993798 3.9541 3M-H+Cl 62428 - --
Vatalanib 346.0985243 1.5046 M-H 151194 - --
7,8-Dihydroxy-4-methylcoumarin 192.0422588 6.3417 2M-H 5355836 - --
5,7-Dihydroxy-4-methylcoumarin 192.0422588 4.2437 M-H 5354284 - --
Fursultiamine hydrochloride 434.12131 4.1533 M-2H+K 9845819 - --
D-erythro-Imidazoleglycerol Phosphate Monohydrate 238.0354732 0.9685 M+K-2H 4150434 - --
7-Hydroxycadalene 214.1357653 7.1689 M+Cl 608115 - --
(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide 463.1707481 1.8892 M-H+NaCOOH 11454028 - --
Cyproterone 374.1648726 9.4261 M-H 5284537 - --
Anatibant 710.1844946 6.6341 M-H 9831652 C20010 --
Kuhlmannin 298.0841236 2.0215 M+F 4412068 - --
Cyanin 611.1612102 4.9517 M+NH4-2H 441688 C08639 ko00942
Mesosulfuron-methyl 503.0780688 5.169 M-H-NH3 11409499 - --
Neoacrimarine B 667.2781321 3.3719 M+Cl 102277789 - --
Phorbol acetate, caprate 560.3349187 8.2926 M-H+NaCOOH 124027 - --
Gentiopicroside 356.1107324 2.839 M+CH3COO 88708 C09782 ko00902,ko01110
Strictosidine 530.2264309 11.4591 M+CH3COO 161336 C03470 ko00901,ko00996,ko01100,ko01110
Blasticidin S 422.2026161 10.7612 M-H 170012 - --
Propofol 178.1357653 4.8751 2M-2H+K 4943 C07523 --
Adpribose 559.0716746 1.1373 M-H-C5H8O4 192 C00301 ko00230,ko01100
All-trans-hexaprenyl diphosphate 586.3188282 9.6077 M-H 5280413 C01230 ko00900,ko01110
Fustin 288.0633882 7.8073 M-H 5317435 C01378 ko00941
Norlichexanthone 258.0528235 6.8564 M-H 5281657 - --
Neosperidin dihydrochalcone 612.2054207 7.8378 M+Cl 4453 - --
3-Methyl-11,12-dihydroindolo[2,3-a]carbazole 270.1156985 1.5046 M-H-C4H8 3813968 - --
(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl [(1s,2r)-1-Benzyl-2-Hydroxy-3-{isobutyl[(4-Methoxyphenyl)sulfonyl]amino}propyl]carbamate 562.2348871 4.9984 M-H 200104 - --
Tetrahydroaldosterone-3-glucuronide 540.2570623 9.3241 M+Cl 167918 - --
Loganin pentaacetate 600.2054207 5.2935 M+K-2H 443344 - --
5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(trifluoromethyl)-1H-pyrazole-3-carbonitrile 387.9717209 10.8688 M-2H+K 22673275 - --
Glu-Phe 294.1215718 2.711 M-H 18653118 - --
Paederoside 446.0882824 4.8751 2M-H 442432 C09795 --
4,5-Diaminofluorescein 362.0902716 4.813 M+CH3COO 10666340 - --
Amifostine 214.0541001 1.8123 M-H2O-H 2141 C06819 --
Tubulysin A 843.4452143 3.7104 M+Cl 12134544 - --
Autumnolide 280.1310739 6.5575 M-H 442171 C09346 --
Apigenin 4'-glucoside 432.105647 9.047 M+CH3COO 5491384 - --
D-Sorbitol-6-phosphate 262.0453692 4.0309 M+CH3COO 152306 C01096 ko00051,ko01100
Aflatoxin G2A 346.0688675 5.3526 M-H 105095 - --
2-Phenylpropan-1-amine hydrochloride 171.0814772 1.5477 M-H+NH3 89332 - --
(2S)-2-(2-hydroxypropan-2-yl)-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one 424.1369471 8.1705 M+HCOO 442149 C09309 --
Procyanidin B1 578.1424265 2.96 M+Na-2H 11250133 - --
Saponarin 594.1584705 5.1069 M-H 441381 C08064 --
Benzo[ghi]fluoranthene 226.0782504 1.2903 M+Cl+NaCOOH 9144 C19342 --
Morphine-6-glucuronide 461.1685816 3.6645 M-H 5360621 C16578 --
12-Hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione 700.3670068 7.9742 M+CH3COO 14976 - --
Chlorogenic Acid 354.0950823 2.8084 M-H 1794427 C00852 ko00940,ko00941,ko00945,ko01110
Janex-1 297.1113414 0.754 M+Cl 3794 - --
4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl]benzenesulfonamide 308.1055445 1.643 M+Cl+NH3 5312145 - --
7-O-Methylluteolin 300.0633882 3.0819 M-H 5318214 - --
9,10-Anthracenedione, 1,8-dihydroxy-4-nitro-5-(phenylamino)- 376.0695362 1.6737 M+Cl+NH3 5462989 - --
5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine 344.0386261 0.5976 M-H 443378 - --
Bilastine 463.2834922 5.9312 M+Cl 185460 - --
N-Acetyl-L-phenylalanine 207.0895433 3.4953 M-H 74839 C03519 ko00360,ko01100
Sivelestat sodium hydrate 528.1389733 7.4287 M+Cl 23663985 - --
7-O-B-D-Glucopyranoside 462.1162117 5.0448 M+CH3COO 5378562 - --
D-(+)-Neopterin 253.0811039 6.4348 M+K-2H 135398721 C05926 ko00790
Xanthotoxol 202.0266087 1.9598 2M-H 65090 C00841 ko00999,ko01110
Eupachloroxin 428.1237956 8.9473 M-H 5281448 C09425 --
6-Chloropurine ribonucleoside 286.0468826 7.9292 M+Cl+NaCOOH 221074 - --
Isoscoparin 462.1162117 3.5756 2M-2H+Na 442611 C05990 --
3-Hydroxy-8,9-methylenedioxypterocarpane 284.0684736 6.5116 2M-H 363863 - --
Lysylasparagine 260.1484552 2.3187 M-H 11219156 - --
1,3-Dicaffeoylquinic acid 516.1267764 1.9864 M+F 6474640 C10445 --
Bazedoxifene HCl 506.2336208 5.7375 M-H+NH3 9936012 - --
3,4-Hexahydroxydiphenoylarabinose 452.0590908 1.1981 M-H 131751527 - --
Medicagol 296.0320881 6.7874 M-H 5319322 - --
S-Adenosyl-L-methionine disulfate tosylate, (R)- 766.0914121 7.8411 M+Cl 45072193 - --
2-{[2-(Methoxycarbonyl)phenyl]carbamoyl}benzoic acid 299.0793726 1.5196 M+Cl+NaCOOH 306733 - --
10-Hydroxycamptothecin 364.1059217 5.383 M+HCOO 97226 C17939 --
Oxadiazon 344.069448 2.7319 M-H 29732 C18496 --
3-Methyl-1-phenylpent-1-yn-3-ol 174.1044651 3.1122 M-H 102729 - --
Lycoricidine 291.0742872 8.0068 M-H 73065 C08531 --
Eupatin 360.0845176 2.4113 M-H 5317287 - --
Udp-beta-L-rhamnose 550.0601069 2.4577 M+Cl+HCOOH 192751 C02199 ko00520,ko01100,ko01250
Etoglucid 262.1416386 3.7104 M-H 16058 C19537 --
Prostaglandin E2 Ethanolamide 395.2671734 10.8382 M+Cl+NH3 5283119 - --
3-Aminopentanedioic acid 147.0531578 2.6712 M+K-2H 73064 C05574 --
(3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol 234.16198 10.8612 2M-H 387977 C16942 --
1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 521.3481402 9.0394 M+CH3COO 16081932 - --
"Quercetin 3-O-(6""""-malonyl-glucoside) 7-O-glucoside" 712.1486937 3.2236 M-H-H2O 74978238 - --
Dihydrocapsaicin 307.2147439 4.9517 M+Cl 107982 C16952 --
Cardamonin 270.089209 4.0463 M+HCOO 641785 - --
Methyl (2,4-dichlorophenoxy)acetate 233.9850496 0.4159 M+Cl 1488 - --
2'-Deoxyadenosine 5'-triphosphate 491.0008321 1.6737 M-H2O-H 15993 C00131 ko00230,ko01100,ko01232
Glycyphyllin 420.1420325 5.2918 2M-2H+Na 442412 C09754 --
Marshdimerin 758.3818689 7.6401 M+CH3COO 15336444 - --
Harpagoside 494.178812 2.7472 M+Cl 5281542 C09783 --
2-Hydroxyxanthone 212.0473442 4.813 M+HCOO 74708 - --
Bepotastine besilate 546.1591353 5.2918 M-H2O-H 164521 - --
Peroxynitrite 62.99564293 0.7852 3M-2H+Na 123349 C16845 --
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxyhex-5-enimidothioate 387.0657728 3.4489 2M+Cl 656527 C08403 --
3-Butenylglucosinolate 373.0501227 2.7778 M-H 3034765 C08415 --
3,3'-Bis(4''-hydroxyanigorufone) 574.1416386 7.3682 M+CH3COO 136703905 - --
Aluminium acetoacetate 330.0531458 1.9047 M+Cl+CF3COOH 21584777 C17688 --
Leucodelphinidin 3-[galactosyl-(1->4)-glucoside] 646.1745145 2.5036 M-H 131751298 - --
Pinostrobin chalcone 270.089209 8.673 M-H 5316793 - --
4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate 368.162374 9.8489 M-H 240071 - --
Naringin dihydrochalcone 582.194856 4.4746 M-H 9894584 - --
Momordol 440.3501748 8.3231 M-H 71308241 - --
(3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol 474.3709103 9.5157 M-H 73804808 - --
UDP-N-acetylmuramic acid 676.079225 2.0665 M+Cl 24772978 - --
[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 888.2899383 2.059 M+Cl 10056528 - --
Boscalid 342.0326685 3.3107 M-H 213013 C18547 --
3-Hydroxydodecanoic acid 216.1725447 6.6035 M+Na-2H 94216 - --
(-)-Catechin 290.0790383 4.7821 2M-H 73160 - --
Abacavir sulfate 670.2757978 2.7625 M+Cl+HCOOH 441384 - --
1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid 279.9847387 1.2134 M-H-C2H4 2769586 C91568 --
Arachidonoyl Serotonin 462.3246287 9.6988 M-H 10027372 - --
Anatalline 239.1422476 3.3872 M+Cl+HCOOH 443848 - --
Pretomanid 359.0729052 5.0625 M-H 456199 - --
Moxifloxacin hydrochloride 437.1517623 1.8892 M+Cl+HCOOH 101526 - --
Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-(3-carboxypropanamido)ethyl phosphate 813.5131923 11.3602 M+Cl 46907844 - --
1-((((1R)-1-(3-((1E)-2-(7-Chloro-2-quinolinyl)ethenyl)phenyl)-3-(2-(1,2-dihydroxy-1-methylethyl)phenyl)propyl)thio)methyl)cyclopropaneacetic acid 601.2053572 4.5053 M-H-CH3 9960377 - --
CID 53394082 609.9752322 0.8919 3M+2Cl 53394082 - --
1,1'-Bi-2-naphthol 286.0993798 2.7261 M-H 11762 - --
5alpha-Androstane-3alpha,17beta-diol 292.2402304 6.2952 M+Cl 15818 - --
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid 187.0480725 1.2134 M-H 53323638 C20258 ko00261,ko00300,ko01100,ko01110,ko01230
Laccaic acid D 314.0426528 5.1846 M-H 9883304 - --
1,3,6-tri-O-galloyl-beta-D-glucose 636.0962642 8.5569 M+CH3COO 452707 C17458 --
Chlorhexidine gluconate 896.3198022 5.0139 M-2H+Na 9552081 C08038 --
Diprogulic Acid 274.105253 4.0001 M+Na-2H 65420 C18825 --
Myricetin 7-rhamnoside 464.0954763 2.8333 M+Cl 76594575 - --
Madecassic acid 504.3450895 9.3548 M-H2O-H 73412 - --
Gefitinib 446.1520967 1.8737 M-H 123631 - --
L-Acetopine 232.1171551 1.5738 M-H+HCOOH 22675590 - --
Fluspirilene 475.2435192 4.9595 M+Cl 3396 - --
XV638 758.2345099 7.9894 M-H 441046 C06488 --
Methyl beta-D-galactopyranoside 194.0790383 0.9838 M-H 94214 C03619 ko02010
Garciduol C 486.0950823 4.1381 M+CH3COO 10672572 - --
Indole-3-lactic acid 205.0738933 4.1076 M-H 92904 C02043 --
2-Oxovaleric acid 116.0473442 1.951 M+CH3COO 74563 C06255 --
Ethanone, 1,1',1'',1'''-(hexahydro-5,2,6-(iminomethenimino)-1H-imidazo(4,5-b)pyrazine-1,3,8,10(2H)-tetrayl)tetrakis- 336.1546032 4.8595 M-H+CF3COOH 5080672 - --
N-Acetyl-D-glucosamine 6-phosphate 301.0562682 1.3978 M- 440996 C00357 ko00520,ko01100,ko01250
CYCLOPIAZONIC ACID 336.1473926 1.9632 M-H 54732361 - --
7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin 618.2689644 3.1578 M+Cl 10077584 - --
Flucarbazone-sodium 418.0170822 8.445 M+Cl+NaCOOH 12056760 C18851 --
Bromazepam 315.0007231 1.8892 M+Cl+NH3 2441 - --
Methyl nigakinone 280.0847923 0.9832 2M-H 638215 C16996 --
Nigakinone 266.0691422 1.0451 2M-H 5320161 C17879 --
5,7-Dihydroxy-3',4',5'-trimethoxyflavone 344.089603 3.9084 M-H 5379265 C19807 --
Vitisin C 906.267627 3.418 M-H 16145527 - --
Viniferal 574.162768 4.0463 M-2H+K 57518718 - --
Lisuride 338.2106615 11.3908 M+Cl+CF3COOH 28864 - --
2,3-Diphenyl-1-indenone 282.1044651 3.5726 M-H 74536 - --
3,3,4,4,5,5,6,6,6-Nonafluorohexyl methacrylate 332.0458836 3.5726 2M-2H+Na 74534 - --
3,5-Dicaffeoyl-4-succinoylquinic acid 616.1428204 1.7274 M-H-H2O 10603854 - --
Brofezil 312.9595239 0.738 M-H 189879 - --
Phytosulfokine a 846.2411711 4.1533 M-H-COCH2 72795529 - --
O2-Vinyl 1-(Pyrrolidin-1-yl)diazen-1-ium-1,2-diolate 157.0851267 4.0924 2M-2H+K 9605288 - --
Myricitrin 464.0954763 4.1076 M-H 5281673 C10108 --
Salviaflaside 522.1373411 3.9541 M-H2O-H 6438919 - --
dl-O-Phosphoserine 185.0089241 1.7811 2M-H 106 C01005 ko00260,ko00270,ko00970,ko01100,ko01110,ko01200,ko01230
O-Methylsterigmatocystin 338.0790383 7.8226 M-H 104940 C03686 ko00254,ko01100,ko01110
Delphinidin 3-O-beta-D-sambubioside 597.1455601 2.3034 M-H+NH3 10196837 C20491 ko00942
Mevalonic acid 148.0735589 1.5815 M-H 439230 C00418 ko00900,ko01100,ko01110
2-(3-(Trifluoromethyl)benzamido)acetic acid 247.0456278 5.8305 M- 2777432 - --
2,2'-Dihydroxy-4',6'-dimethoxychalcone 300.0997737 4.2437 2M-H 5964319 - --
(2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-1,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]thiophene-2-carbonyl]amino]pentanedioic acid 467.0933249 4.2591 2M+Cl 135465775 C21280 --
Atractyloside 802.1344918 8.5518 M-H 442004 C09064 --
2-Amino-5-nitrobenzophenone 242.0691422 6.6648 M-H 15681 - --
4',5,6-Trimethylscutellarein 7-glucoside 490.1475118 4.6287 M-H 131752841 - --
Homoplantaginin 462.1162117 4.1982 2M-H 5318083 C17762 --
Simulansamide 397.1525376 10.3824 M-H 5321312 - --
Delphinidin 3,5-diglucoside 627.1561248 3.588 M+NH4-2H 10100906 C16312 ko00942,ko01110
8-Hydroxy-3-methoxy-1-methylanthraquinone-2-carboxylic acid 312.0633882 7.0471 M-H 101991634 - --
Garciduol B 502.0899969 8.8721 M+HCOO 101689964 - --
Garciduol A 486.0950823 4.2744 M-H 101689963 - --
Picrotoxinin 292.0946883 1.6737 M+K-2H 442292 C09529 --
Khelmarin D 488.1471179 6.0474 M+CH3COO 10672636 - --
4,4''-bis(N-feruloyl)serotonin 702.2689644 0.8155 M-2H+K 10484893 - --
Diamidafos 200.0714647 2.6712 3M+Cl 15643 C19035 --
1-Naphthaleneethanethioamide 201.0612201 0.9685 M-H-CO 3033873 - --
2-(3,4-dihydroisoquinolin-2(1H)-yl)-5-(trifluoromethyl)aniline 292.1187332 2.0521 M-H+Cl 16769646 - --
Piperenol C 448.1369471 1.5508 M+Cl 131753163 - --
N-hydroxy-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide 222.0640569 2.6865 2M-H 5353484 - --
Tipranavir 602.2062277 6.2952 M-H 54682461 - --
1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine 437.2906253 4.6441 M+Cl 42607469 - --
Dehydroabietic acid 300.2089302 9.9539 M-H 94391 C12078 --
4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate 305.066439 2.5097 M+Cl 71296184 C20559 ko00790
Swertiamarin 374.1212971 3.3413 M+Na-2H 442435 C09800 --
Gymnodimine 507.3348591 8.8264 M-H 11649137 C20025 --
LysoPC 16:0 495.3324902 9.3165 M-H 460602 C04230 ko00564
Chamaemeloside 576.1479058 4.5978 M+Na-2H 59492121 - --
Dimethyl azelate 216.1361592 5.5973 M-H 15612 - --
Sibirioside A 472.1580765 10.3132 M-H 6326022 - --
Glutaconic acid 130.0266087 1.1373 M-H 5280498 C02214 --
1-Naphthyl glucuronide 320.089603 4.49 M-H 114851 - --
Khelloside 408.105647 8.8111 M+CH3COO 441966 C09011 --
Ilaprazole sodium 389.1048143 3.4708 M+Na-2H 21460504 - --
Podorhizol beta-D-glucoside 578.1999414 6.5728 M-2H+K 443015 - --
6-(3,4-Methylenedioxyphenyl)-3,5-hexadien-2-one 216.0786443 4.8751 M-H 131751248 - --
Prednisolone sodium succinate 482.1916608 2.6406 M+Cl 23680518 - --
3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide 400.1652665 4.3206 M-H-CH2 85161954 - --
(5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid 352.2249743 11.0841 M+HCOO 9841438 - --
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-methyl-1H-pyrazol-5-YL]-6-ethylbenzene-1,3-diol 352.1423072 1.9047 M-H 984170 - --
2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-1H-pteridin-4-one 237.0861893 8.1856 3M-2H+Na 65253 C00835 ko00790,ko01100
Palmidin B 494.1365532 10.5626 M-H 5320385 - --
Palmidin A 510.1314678 8.8721 M-H 5320384 - --
4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid 411.0500613 1.5246 M-H 10047220 - --
Gomphrenin-V 726.1908333 3.2493 M-H+NaCOOH 6325294 C08547 --
Spectinomycin 332.1583513 7.6249 3M+2Cl 15541 C02078 --
DL-2-(2,4-Dinitroanilino)-4-(methylsulphinyl)butyric acid 331.0474206 0.8614 M-H 102676 - --
3-[(1-Carboxyvinyl)oxy]benzoic acid 208.0371734 2.059 M+HCOO 23844017 C20772 ko00130,ko01100,ko01110,ko01240
4'-Methoxy fentanyl 366.2307283 2.1961 M+Cl 527012 - --
4'''-Demalonylsalvianin 843.1983836 6.5422 M+NH4-2H 5282162 - --
Ser-phe 252.1110071 3.1729 M+F 7009598 - --
Calycanthoside 384.105647 2.8839 M-H 12302276 - --
Tacrine hydrochloride 234.0923762 1.6584 M+Cl+NaCOOH 2723754 - --
9(10)-EpOME 296.235145 6.4193 M+HCOO 5316080 - --
Pinolenic acid 278.2245803 8.3079 M-H 5312495 - --
Taxin B 534.2464976 4.9517 M-H 5321699 - --
Miyabenol C 680.2046328 9.9089 M-H 5388319 - --
6-[(8a-Carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-4-[2-carboxy-1-(carboxymethoxy)-2-hydroxyethoxy]-3,5-dihydroxyoxane-2-carboxylic acid 794.4088716 7.4587 M-H 53463045 - --
dTDP-4-dehydro-6-deoxy-alpha-D-glucose 546.0651923 0.9073 M-H-C6H8O6 439292 C11907 ko00523,ko01100,ko01110,ko01250
bisphenol A diglycidyl ether 340.1674594 8.4297 M-H-C2H4 2286 C14348 --
Xanthoaphin 546.1525972 2.6321 M-H 439591 C01863 --
7-Hydroxy-6-Methoxy-alpha-pyrufuran 320.089603 4.0185 M-H 10403706 - --
N-Boc-4-(4-Toluenesulfonyloxymethyl)piperidine 369.1609938 1.3134 M+Cl 10642851 - --
beta-D-Glucopyranoside 3-[(1Z)-2-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl 568.1792059 2.2422 M+CH3COO 46240058 - --
Ethephon 143.9743088 0.6588 M+Cl 27982 C18399 --
6''-Acetylliquiritin 460.1369471 4.6441 M-H 131753130 - --
Anhydrotetracycline 426.1427012 4.5668 M+Cl 54675758 C02811 ko01100,ko01110
beta-L-fucose 1-phosphate 244.0348045 6.001 M+CH3COO 65369 C02985 ko00051,ko00520,ko01100,ko01250
Bis(dinitrophenyl)lysine 478.1084409 4.3668 2M-H 96818 - --
Segetalin D 719.3642618 8.7345 M+Cl+HCOOH 11765428 - --
calyxin B 582.2253682 3.8933 M+Cl+NaCOOH 9829786 - --
Leelamine Hydrochloride 321.2223278 3.2646 M+Cl 16759156 - --
Dutasteride 528.2211476 9.4421 M-H 6918296 - --
5-[3-(Trifluoromethyl)phenyl]pyridin-2-amine 238.071783 5.0758 M+Cl 10243267 - --
6''-O-Acetylvicenin 1 606.1584705 1.6522 M+F 74977477 - --
6''-O-Malonylwistin 546.1373411 5.0758 M+Cl 25203699 - --
Cannabisin E 642.257731 2.8618 M-H-C6H8O6 71448966 C17909 --
Polygalaxanthone III 568.1428204 5.2229 M-H 11169063 - --
3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide 310.1780241 10.8382 M-H 85094081 - --
Salirasib 358.196651 5.1846 M+CH3COO 5469318 - --
Rofecoxib 314.0612797 2.1345 M+CH3COO 5090 C07590 --
Hydroxyvalerenic Acid 250.1568947 0.6435 M+K-2H 6537505 - --
Talampanel 337.1426416 5.5051 2M-H 164509 C14993 --
[4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone 449.119184 8.2313 M-H+CH3CN 1949 - --
Citbismine A 640.2056954 6.7874 M-H 131753020 - --
5-Allyl-4,6-dichloropyrimidine 187.9908037 0.754 M-H+HCOOH 519208 - --
Dimethoxycurcumin 396.1572886 2.8084 M-H 9952605 - --
Hemine 651.1462386 3.5107 M-H-C4H8 15953900 - --
3-Ketolactose 340.1005616 7.4587 M-H2O-H 440659 C05403 --
4,5-dichloro-2-ethyl-1H-imidazole 163.9908037 0.7619 3M-2H+K 312391 - --
1,3,4,5-Tetracaffeoylquinic acid 840.1901646 6.3262 M+Cl 5281799 - --
Ustiloxin D 494.2376642 4.2437 M-H-C5H8O4 157840 - --
Dioxinoacrimarine A 513.1423668 8.5518 M-H 131752932 - --
Boc-l-alanine 189.100108 1.4433 M-H 85082 - --
Shinflavanone 390.1831094 4.6595 M+Cl 197678 - --
Erinacine D 478.2930539 4.844 M+Cl 9912965 - --
E3040 sulfate 379.0660475 4.0155 M-H 443293 C11594 --
Cytidine, cyclic 2',3'-(hydrogen phosphate), monosodium salt 327.0232295 0.5669 2M+Cl 23679069 - --
2-Ethyl-3-methylpyrazine, 9CI 122.0843984 4.336 M-H 27457 - --
Chaetoglobosin N 542.2780725 9.0855 M+CH3COO 131751214 - --
Mosapride citrate dihydrate 649.2049798 2.1806 M+Cl 6918047 - --
Sulpiride 341.140927 1.6584 2M-2H+Na 5355 - --
1-(4-Chlorobenzoyl)-4-((4-(2-oxazolin-2-yl) benzylidene))piperidine 380.1291557 7.4287 M-2H 501398 - --
Myricetin 3-galactoside 480.0903909 4.1076 M-H2O-H 5491408 - --
4-[3-(4-Chlorophenyl)-1H-pyrazol-5-YL]piperidine 261.1032753 2.7319 M+Cl 449126 - --
Zoxamide 335.024662 6.4038 M-H 122087 C18903 --
Calcium carbimide 79.9687386 11.3755 2M-H 56955933 C19113 --
4-Hydroxyphenylpyruvic acid 180.0422588 2.059 M-H 979 C01179 ko00130,ko00261,ko00350,ko00400,ko00950,ko01100,ko01110,ko01210,ko01230,ko01240
Phenylpyruvic acid 164.0473442 3.036 M-H 997 C00166 ko00360,ko00400,ko00470,ko00960,ko01100,ko01110,ko01210,ko01230
17R-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid 344.235145 3.2646 M+Cl 53477502 - --
Edultin 386.1365532 0.8461 M+K-2H 5317013 - --
Bismahanine 692.3614082 6.0165 M-H 10327320 - --
Bismurrayaquinone A 420.1110071 5.5051 M+CH3COO 10364815 - --
26-Glucosyl-1,3,11,22-tetrahydroxyergosta-5,24-dien-26-oate 638.3666128 7.4587 M-H+CF3COOH 131752816 - --
(R)-Roemerine 279.1259289 3.4489 2M-H 235224 - --
(1-Heptan-2-yl-2-methylindol-3-yl)-naphthalen-1-ylmethanone 383.2249146 5.6595 M-H 44368442 - --
1,2,2'-Trisinapoylgentiobioside 960.2899383 6.3262 M-H 131753036 - --
5-Phenylpenta-2,4-dienoic acid 174.0680796 7.4287 M-H 1549512 - --
Woodorien 330.0950823 2.1042 2M-H 192694 - --
Rhapontin 420.1420325 5.3678 M+CH3COO 637213 - --
Arg-Arg 330.2127868 3.6186 M-H+CF3COOH 151956 - --
Efavirenz 315.027391 7.2945 M-H 64139 C08088 --
Fluorodifen 328.0307061 5.551 M-H 27295 - --
2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one 307.1208435 3.9236 M+Cl 3973 - --
Protoporphyrin IX containing ZN 624.1715004 6.3882 M-H 439935 C03184 --
Ipecoside 565.2159258 4.7667 M+Cl 442249 C09464 --
Tripelennamine hydrochloride 291.1502255 4.8751 M-H 9066 - --
JKC-302 582.3165833 8.6423 M-2H+K 21983468 - --
Ertapenem 475.141321 3.3566 M-H+NaCOOH 150610 - --
N-(3-phenylpropyl)quinazolin-4-amine 263.1422476 0.754 M+Cl+CF3COOH 44288306 - --
Ertapenem sodium 497.1232637 2.7548 2M-H 23674512 - --
(+)-Epitaxifolin 304.0583028 7.9292 M-H2O-H 443758 - --
Keto-Deoxy-Nonulonic acid 268.0794322 0.7374 M-H 13991616 C20934 ko00520,ko01100,ko01250
Oxonantenine 335.0793726 1.6891 M-H 3084224 - --
Sesaminol glucoside 532.1580765 4.1684 M-H 72577875 - --
Veranisatin B 356.1107324 3.0666 M-H 127871 - --
N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine 359.0269379 0.5669 M-2H+Na 4705 - --
1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione 375.096754 1.1981 M-H 9842556 - --
Kanzonol I 436.2249743 3.741 M+Cl 101667240 - --
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine 393.0947257 4.7821 M-H 6610350 - --
alpha-D-glucose-6-phosphate 260.0297191 2.711 M+HCOO 439284 C00668 ko00010,ko00030,ko00052,ko00520,ko01100,ko01110,ko01200,ko01240,ko01250
3'-(2'',3''-Digalloyl-4'',6''-hexahydroxydiphenoylglucosyl)-phloroacetophenone 936.1232669 6.0484 M-H 131752875 - --
3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone 938.1389169 2.2728 M+Cl 131752874 - --
2'',3'',6''-Tris-O-(3,4,5-trihydroxybenzoyl)-3'-Glucosyl-2',4',6'-trihydroxyacetophenone 786.1279583 4.4746 M-H 131752873 - --
3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone 634.1169996 4.5668 M+CH3COO 131752872 - --
3'-(2'',3''-Digalloylglucosyl)-phloroacetophenone 634.1169996 8.8871 M-H 131752871 - --
3'-(6''-Galloylglucosyl)-phloroacetophenone 482.106041 3.588 M-H 131752870 - --
Schaftoside 4'-glucoside 726.2007293 6.2719 M-H 74977489 - --
Isoschaftoside 4'-glucoside 726.2007293 2.5789 M-H 74977488 - --
Amfonelic acid 308.1160925 4.4591 M-H-C2H4 2137 - --
Edoxudine 256.1059217 0.6583 M+CH3COO 66377 - --
Oxamflatin 342.0674277 4.7975 M-H 5353852 - --
Dichlorprop-P 233.9850496 0.4009 M-H 119435 C20685 | C72877 --
Quercetin 3-(2-feruloylsophoroside) 7-glucoside 964.2484674 4.5053 M-H 44259208 - --
Ferulic acid 4-sulfate 274.0147235 0.738 M+Cl+HCOOH 6305574 - --
Caffeic acid 3-sulfate 259.9990734 3.1425 M-H 102261219 - --
(E)-3-(4-sulfooxyphenyl)prop-2-enoic acid 244.0041588 0.754 M+Cl+NH3 6070438 - --
Swertiapunimarin 520.1792059 5.2457 M+Cl 192515 - --
Aurasperone A 570.1525972 7.0805 M-H 3084216 - --
Nitenpyram 270.0883535 11.3293 M-H 3034287 C18511 --
Phe-Met 296.1194633 4.2744 M+Cl 7010506 - --
Oxybutynin chloride 393.2070717 4.0616 M-H-C4H8 91505 - --
9-Ribosyl-trans-zeatin 5'-monophosphate 431.1205998 3.3107 2M-2H+Na 11561034 - --
Lyciumin C 963.4126686 8.6118 M-2H+Na 85131758 - --
Mevalonate 148.0735589 1.789 M-H+CH3CN 449 C00418 ko00900,ko01100,ko01110
Disodium succinate 161.9904941 1.0451 M+CH3COO 9020 - --
Dibenzyl disulfide 246.0536919 6.481 M-H 9012 - --
Dimoxystrobin 326.1630427 8.9779 M-H 10936292 - --
Tetracenomycin F1 366.0739529 1.7431 2M+Cl 127693 - --
4-O-Methylpinosylvic acid 270.089209 6.7721 M-H 67322417 - --
Poncirin 594.194856 4.6287 M+F 442456 C09830 --
Diadenosine diphosphate 676.1156051 4.7821 M-H 188326 - --
3,4'-Dihydroxyflavone 254.0579089 6.6341 M- 688715 - --
2',3,4,4',6'-Pentahydroxychalcone 288.0633882 2.839 M-H2O-H 5461154 - --
Osmanthuside H 432.1631619 2.4577 M-2H+Na 192437 - --
Cycasin 252.095751 4.2591 M-H-C4H8 5459896 C01418 --
Gallic acid 170.0215234 1.7965 M-H 370 C01424 ko00999
Erythritol 122.0579089 1.3058 M-H 222285 C00503 ko02010
Butacaine 306.2307283 11.3908 M+Cl 2480 - --
[1,2,4]Triazolo[1,5-a][1,3,5]triazin-7-amine 136.0497442 3.7716 M-H 258108 - --
(2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',5,5',7-pentahydroxyflavan 560.1318618 2.9751 M+CH3COO 131752901 - --
2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide potassium salt 316.0825395 1.8273 M+Cl 102601671 - --
Protoheme 616.177353 4.5978 M-H 26945 - --
3-O-Methylquercetin 316.0583028 4.5206 M-H2O-H 5280681 C04443 ko00944,ko01110
Spirodiclofen 410.1051648 1.2443 M-H-CO2 177863 C18553 --
(25S)-5beta-spirostan-3beta-yl beta-D-glucoside 578.3818689 11.3908 M-2H+Na 440454 C08886 --
3-(6-oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)propanoic acid 258.0752902 7.4287 M+Cl 3073311 - --
Melphalan 304.0745333 4.9364 2M-H 460612 C07122 --
Dinitolmide 225.0385704 0.754 M+Na-2H 3092 - --
Albamycin;Cathomycin 634.2138529 4.5668 M-H-C3H2O3 54730021 - --
3-Hydroxycinnamic acid 164.0473442 2.7625 M-H 637541 C12621 ko00360,ko01100
Kynostatin 272 667.2498256 6.8028 M+Cl 60927 - --
Delavirdine mesylate 552.1824743 3.036 M+Cl 441386 C08087 --
Cyclothialidine 641.2002925 4.5514 M-H 443601 C12057 --
Tenofovir 287.078341 2.6865 2M-H 464205 - --
Samarangenin A 760.1275643 4.1684 M-H 85131379 - --
Y-27632 dihydrochloride 247.1684624 6.0165 2M-2H+K 448042 - --
Ziprasidone 412.1124598 5.49 M+CH3COO 60854 C07568 --
Urobilinogen 592.3260853 6.6035 M-H+HCOOH 26818 C05790 ko00860
Arachidonoyl Thio-PC 783.5600474 8.9932 M+CH3COO 53394300 - --
4-hydroxy Nonenal Mercapturic Acid 319.1453437 3.4025 M+Cl 71433688 - --
(R)-N-Boc-4-cyanophenylalanine 290.1266572 3.3107 2M-H 2734494 - --
Saprisartan 612.0479694 8.5518 M-H 60921 - --
Phenyl beta-D-glucopyranoside 256.0946883 8.065 M+Na-2H 65080 C03097 --
5-Methyluridine 258.0851863 3.4644 M-H 445408 - --
Mitoglitazone 370.0987279 6.7721 M-H 10429242 - --
Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride 458.091246 5.49 M+CH3COO 132748 - --
3-Methyl-2-oxovaleric acid 130.0629942 2.4833 M-H 47 C03465 --
Nitrazepam 281.0800413 7.8259 M+CH3COO 4506 C07487 --
5-Carboxy-2'-deoxyuridine 272.0644508 8.5368 3M+Cl 10492375 - --
3-Mercaptohexyl hexanoate 232.1497008 4.8595 3M+Cl 536987 - --
3,4,5-Trihydroxy-6-[[11-methoxycarbonyl-4,4,6a,6b,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]oxane-2-carboxylic acid 838.4350864 7.032 M-H 74376552 - --
Diclosulam 404.9865436 1.2134 M-H2O-H 3081304 C18821 --
Sporidesmin 473.0482046 0.8461 M+K-2H 99596 - --
2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid 315.1834438 6.7261 M+CH3COO 3047758 - --
3,4-Dicaffeoylquinic acid 516.1267764 4.3822 M+CH3COO 5281780 C10468 --
Trifloxysulfuron 437.0616886 1.7504 M+Cl+NaCOOH 9955886 - --
Flucarbazone 396.0351395 3.8021 M-H 3081367 - --
Methionylvaline 248.1194633 2.5942 M+CH3COO 7010520 - --
L-Alanyl-L-methionine 220.0881632 1.7504 M+HCOO 85744 - --
L-Methionylglycine 206.0725131 1.2212 M+HCOO 6992930 - --
Simarubaceae 496.2308476 5.0372 M-H 441794 C08760 --
Flupyrsulfuron-methyl sodium 487.0385459 2.059 M-H-C6H10O5 15764724 - --
Hispidulin 300.0633882 4.7514 M-H 5281628 C10058 --
Pixantrone dimaleate 557.1757923 0.8003 M-H-NH3 9937618 - --
Iodosulfuron-methyl-sodium 528.9528946 1.2443 M-H 16760189 - --
Cannabisin C 610.2315162 9.1629 M-H-C6H10O4 71448964 C17907 --
Cannabisin-b 596.2158662 3.5571 M-H 71448963 C17906 --
Theogallinin 800.1436084 7.0926 M-H 131752820 - --
N-(2-fluoro-5-nitrophenyl)benzamide 260.0597204 7.1722 3M-2H 675819 - --
Eprosartan mesylate 520.1337928 3.1425 M-H+CF3COOH 5282474 - --
Degalloyltheaflavonin 784.1486937 4.8285 M-H 131752851 - --
Kaempferol 3,4',7-triacetate 412.0794322 4.2974 M-H-COCH2 44584293 - --
6-Propoxybenzothiazol-2-amine 208.0670338 8.05 3M-2H+K 84396 - --
4-O-beta-D-glucosyl-4-coumaric acid 326.1001677 2.7472 2M-H 9840292 C04415 --
Curculigine C 536.043676 4.2744 M-H-H2O 132568 - --
Curculigoside B 452.1318618 2.6251 M+Cl 132567 - --
Ustiloxin A 673.2628928 3.2954 M-2H+Na 164454 - --
(3x,5x,10x)-9,10-Didehydroisohumbertiol O-[rhamnosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)]-glucoside] 818.3936155 7.6553 M-H-CH2 131752907 - --
(2R,3R,4S,5S,6R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 582.2312415 3.4644 M+Cl 10031185 - --
FFA(12:0) 200.1776301 9.5617 M-H 3893 C02679 ko00061,ko01100,ko01110
3-Hydroxyoctanoic acid 160.1099445 4.6441 M-H 26613 C20793 --
3-Hydroxydecanoic acid 188.1412446 5.7375 M+Na-2H 26612 - --
D-myo-Inositol-4-phosphate (ammonium salt) 260.0297191 1.2749 M-H 53393970 - --
Alkaloid A6 341.0818712 3.0513 2M-H 131753084 - --
[(1S,12R,13S,14S,15S)-14-hydroxy-19,20-dimethoxy-13,14-dimethyl-15-[(Z)-2-methylbut-2-enoyl]oxy-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl] (Z)-2-methylbut-2-enoate 596.2257622 4.5668 M+Cl 145709767 - --
[1-(4-Hydroxyphenoxy)-1-phosphonoethyl]phosphonic acid 298.0007415 0.7371 M-H-C6H10O5 132449 - --
Adefovir dipivoxil 501.1988502 1.982 M-H 60871 D01655 --
Dihydroroseoside 388.2097182 3.4953 M+CH3COO 16196969 - --
acetoacetyl-CoA 851.1363395 8.7038 M+Cl+NaCOOH 92153 C00332 ko00071,ko00280,ko00310,ko00380,ko00620,ko00630,ko00650,ko00900,ko01100,ko01110,ko01200,ko01212
Pimentol 494.1424265 5.3602 M+Cl 9917512 - --
Sulfosulfuron 470.0678385 2.1193 2M-H 86426 - --
JWH 073-d7 334.2062531 11.0534 M+F 53394763 - --
Levosimendan 280.1072591 1.4893 M-H+HCOOH 3033825 - --
Theaflavate A 852.1537791 3.9236 M-H 131751367 - --
2-Chlorobenzyl Carbamimidothioate 200.0174967 2.5186 M-H-COCH2 199162 - --
(2R,3S)-beta-p-Chlorophenylglutamic acid 257.0454857 4.7514 M-H-CO2 6604761 - --
Ribose-1-phosphate 230.0191544 1.1066 M+Cl+NH3 439236 C00620 ko00030,ko00230,ko01100
1-(3-Acetamidophenyl)-5-mercaptotetrazole 235.0527807 3.6777 M-H 712430 - --
3,3',4,4'-Tetrachloroazobenzene 319.9256239 1.122 M-H 26423 - --
Quercetin 7-glucuronoside 3-sophoroside 802.1803878 2.6097 M-H+NaCOOH 74978169 - --
Karakin 483.0972672 2.6097 M-H 100274 C08495 --
Cinnamic acid 148.0524295 0.9685 2M-H 444539 C10438 --
Artomunoxanthentrione 444.1209031 2.3187 M+CH3COO 15725888 - --
Tenuifoliside B 668.19525 3.9236 M-H+NaCOOH 10055215 - --
Actinorhodin 634.1322557 2.7778 M+CH3COO 441143 C06691 ko01110
L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)- 595.3005989 7.4737 M-2H+K 65004 - --
Dehydrodiferulic dilactone 386.1001677 5.0139 M-H 3703882 - --
Candesartan 440.1596886 2.6712 M+Na-2H 2541 C07468 --
Pyrrolidine-1-carboximidamide 113.0952974 1.5662 M+Cl 2794597 - --
3,4-Dihydroxybenzaldehyde 138.0316941 2.9449 M-H 8768 C16700 ko00950
3,6,9-Trioxaundecanedioic acid 222.0739529 4.813 3M-H 83793 C70251 --
3,5-Dimethoxy-N-pyridin-4-yl-benzamide 258.1004424 3.2493 2M+Cl 814765 - --
Imidacloprid 255.0523023 5.8771 2M-H 86287518 - --
Laetisaric acid 296.235145 8.8721 3M-2H+K 5281117 C08318 --
Levofloxacin Hemihydrate 740.2981336 3.7104 M-H-C6H10O4 3033924 - --
Arillatose B 518.1635559 7.0774 M-H 56776292 - --
6''-O-Malonylglycitin 532.121691 4.0309 M-H 23724657 C16197 ko00943
Diacerein 368.0532175 6.094 M+F 26248 - --
7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione 446.1954054 0.7697 M-H-CH3 44306972 - --
Pemetrexed 427.1491835 7.6781 M-H-NH3 135410875 - --
7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,7-diamine 139.0606432 1.5355 M-H+NaCOOH 340234 - --
Tolfenamic acid 261.0556564 7.3559 M-H 610479 - --
Benzenesulfonamide, 4-chloro-N-methyl-3-nitro- 249.9815052 4.4591 M-H 67301 - --
Calcium pantothenate 476.168286 2.1193 M-H 443753 - --
Thiosulfuric acid 113.9445354 0.4009 M+HCOO - C05529 --
IRINOTECAN HYDROCHLORIDE Trihydrate 676.287507 0.8461 M+Cl+NaCOOH 60837 - --
Azo rubin S 458.0242423 0.5669 M-H 19119 - --
2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)- 352.07838 5.8073 M-H-C5H8O4 287004 - --
Met-Tyr 312.1143779 4.7208 M-H 7009558 - --
Valylserine 204.1110071 2.1042 M-H 139506 - --
TAXININE M 688.2731064 1.3978 M+HCOO 10054413 - --
3''-O-Acetylafzelin 474.1162117 3.1425 M+CH3COO 14861226 - --
Mefenpyr 316.0017623 0.5669 M-H+HCOOH 4131668 - --
Rifamycin S 695.2941761 7.4437 M-H 6436726 - --
Neoliquiritin 2''-apioside 550.1686412 4.2898 M+Na-2H 131752849 - --
Gadoxetate Disodium 726.0765488 3.6415 M-H 9961939 - --
Heterophylliin E 908.0919667 7.0092 M-H 14824938 - --
De-O-methylsimmondsin 361.1372815 4.1833 M+Cl+NaCOOH 5375609 - --
4,5-DIDEMETHYLSIMMONDSIN 345.1423668 1.9047 M-H 101993520 - --
2-Naphthol 144.0575149 4.813 M+HCOO 8663 C11713 --
5,8,11-Eicosatriynoic Acid 300.2089302 9.9689 3M-2H+K 1781 - --
Eriocitrin 596.1741206 3.2493 M+CH3COO 83489 C09732 --
Atorvastatin 558.2530006 5.383 M+Cl+HCOOH 60823 C06834 --
Piperenol A triacetate 510.1525972 3.4953 M+K-2H 14890279 - --
Asp-Val 232.1059217 8.3534 M-H 7009616 - --
Aspartylalanine 204.0746216 6.7721 M-H 5491963 - --
beta-Glucogallin 332.0743469 1.6891 2M-H 124021 C01158 ko00999
Phenmetrazine 177.1153642 7.997 3M-2H+Na 4762 C07432 --
Epoxiconazole 329.073118 2.1193 M-H 107901 C11229 --
Galactonic acid 196.0583028 0.738 M+K-2H 128869 C00880 ko00052,ko01100
Glyceryl lactopalmitate 404.1055445 4.5978 M+Cl 665493 - --
Sandoricin 588.2570623 6.4193 M-H 3825286 - --
Tyrphostin B48 280.0847923 1.3978 2M-H 5328771 - --
1-(Phenylthio)anthraquinone 316.0558004 5.3223 3M+2Cl 25905 - --
Eriodictyol 7-glucuronide 464.0954763 4.5053 M-H 124258 - --
1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one 240.0786443 3.1578 M+Cl 5357218 - --
3-amino-6-methyl-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one 269.0775966 11.0228 3M+Cl 10221045 - --
Midodrine 254.1266572 6.8028 M+Cl 4195 C07890 --
H-Trp-ser-OH 291.1219061 1.2134 M-H 7009660 - --
Darifenacin hydrobromide 508.1552898 11.0688 M-H-CH2 444030 - --
Majidine 644.1741206 0.8079 M-H 14731302 - --
Eprosartan 424.1456781 9.5464 M+F 5281037 C07467 --
Uridine-5'-diphosphate-glucose 566.0550216 1.1373 M-H 8629 C00029 ko00040,ko00052,ko00053,ko00500,ko00520,ko00524,ko00561,ko00908,ko01100,ko01110,ko01240,ko01250
Hellebrin 724.3306213 4.9364 M+Cl 441859 C08868 --
Myricetin 3-arabinoside 450.0798262 3.3872 M-H 21672568 - --
1-(4-Chlorophenyl)-3-naphthalen-1-ylurea 296.0716408 3.2187 3M-H+Cl 295009 - --
gamma-Glutamyl phosphate 227.0194888 0.753 M+NH4-2H 193475 C03287 ko00330,ko00332,ko01100,ko01110,ko01230
(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 610.1897706 7.7161 M+CH3COO 442439 C09806 ko00941
Pinocembrin 7-rhamnosylglucoside 564.1842913 4.5823 M+F 442454 C09828 --
5-Iodo-2-aminoindane 258.9857974 0.8615 2M-2H+K 131506 - --
(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid 322.2507951 11.0954 M-H+CH3CN 44322431 - --
1-Isopropyl citrate 234.0739529 0.3394 2M+Cl 9816081 - --
1-(3-Chlorophenyl)-3-(3-fluorophenyl)urea 264.0465689 5.2 3M-H 266468 - --
Inosine triphosphate 507.9797624 1.7658 M-H2O-H 135398643 C00081 ko00230,ko01100,ko01232
5-Fluoro-N-isopropyl-2-nitroaniline 198.0804559 3.2801 M+Cl+NH3 10631807 - --
Trimetazidine dihydrochloride 338.1163982 6.1561 2M-2H+Na 83201 - --
6'-Feruloylnodakenin 584.1893767 4.5823 M-H-C3H2O3 6439317 - --
WIN 55212-2 mesylate 522.1824575 2.9903 M-H 6604176 - --
2-Amino-4,5-dihydronaphtho[1,2-b]thiophene-3-carbonitrile 226.0564691 0.738 M-H+NH3 2818377 - --
D-Arabinose-5-phosphate 230.0191544 0.6903 M+Cl+NH3 188324 C01112 ko01100,ko01250
Cornuside 542.1635559 4.5668 M+Cl+NaCOOH 11228694 - --
Glycyl-l-glutamine 203.090606 3.9541 2M-H 123913 - --
Gadoversetamide 662.1551033 6.4503 M-H 444013 - --
Rubidium hydroxide 101.9145337 11.2988 M+Cl 62393 - --
Inosinic acid 348.0471005 4.49 M+CH3COO 135398640 C00130 ko00230,ko01100,ko01110,ko01232,ko01240
Dioxybenzone 244.0735589 7.3069 M-H 8569 - --
Deserpidine 578.2628164 8.3382 M-H 8550 C06541 --
N-Acetyl-L-glutamate 5-semialdehyde 173.0688079 1.52 M-H 192878 C01250 ko00220,ko00330,ko01100,ko01110,ko01210,ko01230
FR 122047 hydrochloride 459.1383402 8.5518 M-H+CF3COOH 196840 - --
Dorzolamide hydrochloride 360.0038969 4.813 2M-H 6918132 C72221 --
Ampelopsin A 470.1365532 5.3071 M+Cl+NaCOOH 182999 - --
(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] 822.4249157 8.6118 M-H 14060445 - --
(4-Methoxy-benzenesulfonylamino)-acetic acid 245.0357932 2.1961 M-H 705710 - --
Protosappanin E1 586.1475118 3.8327 M+Cl+CF3COOH 14608471 - --
Cirsimarin 476.1318618 5.4748 M-H 159460 - --
5,6,7,8-tetrahydro-1H-spiro[1-benzothieno[2,3-d]pyrimidine-2,1'-cyclohexane]-4(3H)-thione 292.1067901 1.951 M+Cl+CF3COOH 3130935 - --
Pamoic acid 388.0946883 6.4963 M+HCOO 8546 - --
Flavin Single Nucleotide(FMN) 456.1046154 4.2591 M-H 643976 C00061 ko00190,ko00740,ko01100,ko01110,ko01240
(1R,4r)-4-((R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexanecarboxamide dihydrochloride 319.1218179 0.7061 M+K-2H 9901617 - --
Nevirapine 266.1167611 6.2796 M-H 4463 C07263 --
Quercetin 3-(2G-xylosylrutinoside) 742.1956439 8.3231 M+Cl+NaCOOH 5281690 C10175 ko00944
(2R,3S)-trans-epsilon-viniferin 454.1416386 5.0604 M+F 5315234 - --
1,8-Diaminoanthraquinone 238.0742276 4.5053 M+Cl 8511 - --
(Z)-7-[(1S,2R,3R,4R)-3-[(E,3R)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid 512.1059722 3.7716 M-H 5311175 - --
5-Methoxypodophyllotoxin 444.1420325 5.815 M-H 3035544 - --
Rindoside 798.2218587 4.6055 M-H 46174003 C17919 --
Phlorofucofuroeckol A 602.0696555 5.4441 M-H-CH3 130976 - --
1-Amino-2-bromo-4-p-toluidinoanthraquinone 408.0299053 2.1269 M-H+CF3COOH 67193 - --
C.I. Vat Yellow 4 332.0837297 0.9838 M-H 31412 C19545 --
Sennoside B 862.1956439 5.7995 M-H 91440 C13526 --
[(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-hydroxy-4-methoxy-6-methylbenzoate 430.1991535 11.0688 M-H-C5H8O4 195529 - --
Blestriarene B 480.1572886 3.4489 M-H 442695 - --
Pazufloxacin 318.1015853 8.3534 2M+Cl 65957 - --
N(4)-Acetylsulfadiazine 292.063011 4.7208 M-H 64952 - --
Pyruvic acid 88.01604403 1.1524 M+CH3COO 1060 C00022 ko00010,ko00020,ko00030,ko00040,ko00053,ko00250,ko00260,ko00261,ko00270,ko00290,ko00330,ko00350,ko00360,ko00430,ko00440,ko00470,ko00620,ko00630,ko00650,ko00660,ko00710,ko00730,ko00760,ko00770,ko00900,ko01100,ko01110,ko01200,ko01210,ko01230,ko01240
1-(1Z-hexadecenyl)-2-hexadecanoyl-glycero-3-phosphocholine 717.5672412 8.3079 M+Cl+NH3 11146967 - --
Prodelphinidin A2 3'-gallate 760.1275643 8.3079 M-H 14521014 - --
3-O-Galloylepigallocatechin-(4beta->6)-epicatechin-3-O-gallate 898.1592584 3.8782 M-H 11658004 - --
Epicatechin(4b->8)epigallocatechin 3-O-gallate 746.1482998 4.7667 M+Cl 14521001 - --
Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester 746.1482998 4.6287 M-H2O-H 442678 C10223 --
Gly-Arg-Gly-Asp-Ser-Pro-Cys 690.2755231 2.7778 M-H 10078371 - --
Glutaminyl-arginine 302.1702533 9.6229 M+CH3COO 25216500 - --
Triflusulfuron-methyl 492.1038878 4.7514 M-H 92434 C18901 --
Muscapurpurin 418.0648448 1.9665 M-H 11953911 C08563 --
Musca-aurin-II 420.0804949 7.8226 M-H 135438596 C08560 --
Vomifoliol 9-[xylosyl-(1->6)-glucoside] 518.2363269 7.7161 M+Cl 14466051 - --
Carminic acid 492.0903909 3.6798 M-H 10255083 - --
Citrate 189.0035276 0.8614 2M-H 31348 - --
alpha-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-beta-D-fructofuranosyl, tetraacetate 678.2007293 3.1654 M+Cl+HCOOH 219904 - --
Adipokinetic Hormone (Taa-AKH)(Tabanus atratus) 930.4599531 8.2962 M+Cl 3083059 - --
Cafenstrole 350.1412614 3.059 M+Cl+CF3COOH 195429 C18497 --
CID 21594201 516.381475 9.531 M+Cl 21594201 - --
3-(2,4-Dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,5,7,9,11,15(20),16,18-octaene-9,17,21-triol 576.1420325 0.6282 M+Cl 72549441 - --
Usnic acid 344.089603 4.4591 M-H 5646 - --
Na-Hexanoyl-Nb-inosityltryptophan 464.2158662 10.0139 M-H-C6H10O5 131752663 - --
(2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,27S,28S,29R,32R,33R,35R)-14-[(2S,3R,4R)-2,3-Dihydroxy-4-methyloxan-2-yl]-28-hydroxy-5,7,9,19,29-pentamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.11,35.12,5.120,24.124,27.129,32.012,16]tritetraconta-8,10-diene-35-carboxylic acid 888.4507365 3.326 M-H 6442453 - --
7-Epi-12-hydroxyjasmonic acid glucoside 388.1733327 3.1122 M+Cl 6123144 - --
Philonotisflavone 570.0798262 2.8084 M-H 5469098 - --
Malonyldaidzin 502.1111263 3.8782 M+K-2H 9913968 - --
UDP-6-sulfoquinovose 630.0169215 2.3059 M-H+NH3 443244 - --
Dynemicin A 537.1059813 4.5359 M-H 10030135 - --
11beta-Hydroxy-12alpha-bromoprogesterone 410.1282372 6.9099 M-H 239806 - --
Apigenin 7-[rhamnosyl-(1->2)-galacturonide] 592.1428204 5.2534 M+Cl+HCOOH 14309754 - --
Pyridoxal 5'-phosphate(2-) 245.0089241 3.2801 M+Cl+NH3 644168 - --
Kobophenol A 924.2781917 6.2177 M-H+HCOOH 484758 - --
Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside 782.2269441 8.065 M+Cl+HCOOH 14353451 - --
Caprylic acid 144.1150298 6.9712 M-H 379 C06423 ko00061,ko00785,ko01100,ko01240
Cassiaside 404.1107324 1.8426 M+NH4-2H 164146 - --
Homidium bromide 395.0822532 5.138 M+CH3COO 14710 - --
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide 314.0936425 7.2801 M+Cl+NH3 4553 C71930 --
Ginsenoside La 782.4816426 10.5323 M-H 130009 - --
Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)- 666.3152459 10.9615 M-H 441711 C08662 --
Prulifloxacin 461.1056844 4.6434 3M-H+Cl 65947 - --
Clofarabine 303.0534452 6.1715 M+Cl+NH3 119182 - --
3-(3,4,5-Trimethoxyphenyl)propane-1,2-diol 242.1154238 3.326 M-H 129913 - --
Isoquercitrin 4''-rhamnoside 610.1533851 5.7995 M+HCOO 5860263 - --
5-O-Digalloyl-3,4-di-O-galloylquinic acid 800.1072228 2.839 M+Cl 122091 - --
2-Hydrazino-4-methyl-6-(trifluoromethyl)pyrimidine 192.0622809 2.1345 3M-H 7018672 - --
Hydroquinone 110.0367795 0.9379 M-H 785 C00530 ko00350,ko01100
4-Hydroxybenzaldehyde 122.0367795 2.2728 2M-H 126 C00633 ko01100
Rimsulfuron 431.0569394 1.6277 M+NH4-2H 91779 - --
Cefoselis sulfate 620.0777513 2.1042 M-H+NaCOOH 9830519 - --
Cefoselis 522.110372 4.1076 M-2H+K 5748845 - --
Cordeauxione 292.0583028 2.4577 3M-2H 136247467 - --
Gadodiamide 592.1131294 2.6097 M-H+HCOOH 60754 C13106 --
Ibutilide fumarate 884.5002864 0.3394 M+Cl 5281065 - --
1,3-Bis(2-methoxyphenyl)urea 272.1160925 3.7333 M+Cl 295258 - --
Imazosulfuron 412.035666 2.0741 M-H 92433 C18443 --
Formononetin 7-(2-p-hydroxybenzoylglucoside) 550.1475118 4.1229 M-H 131752463 - --
4-(Rhamnosyloxy)phenylacetonitrile 279.1106727 0.738 M+Cl 129556 - --
Phenylacetaldehyde 120.0575149 3.2646 M-H 998 C00601 ko00360,ko01100
Aurothioglucose 391.9992622 1.9047 M-H+NaCOOH 454937 - --
Leonuriside A 332.1107324 2.1345 2M-H 14237625 - --
Agrimol F 640.251977 6.001 M+Cl 5316827 - --
(3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile 357.0338751 0.9379 M-H-C4H8 3350098 - --
2-Isopropoxy-5-trifluoromethyl-phenylamine 219.0870987 8.1553 3M-2H+Na 2894792 - --
Calphostin C 790.2261562 1.7658 M+Cl 2533 - --
Propyl gallate 212.0684736 3.2646 M+Na-2H 4947 C11155 --
Haplodimerine 486.1790867 4.1381 M-H 442909 C10691 --
Isoliquiritin apioside 550.1686412 2.6097 M+Cl 6442433 - --
Amidosulfuron 369.0412893 9.5157 M-H 91777 - --
(R)-1-O-b-D-glucopyranosyl-1,3-octanediol 308.1835034 8.095 M-H+CF3COOH 14213498 - --
6-Acetylphenazine-1-carboxylic acid 266.0691422 0.8155 2M-H 443635 C12120 --
p-Coumaryl alcohol 4-O-glucoside 312.1209031 6.5422 M+F 5280847 C05855 ko00940,ko01110
Biapenem 350.1048759 5.8926 3M-2H 71339 - --
Jionoside B1 814.2895444 2.7472 M-2H+K 5281782 C10473 --
Zeanoside C 385.100896 4.1076 M+Cl 13988324 - --
Geraniol 6-O-beta-D-apiofuranosyl-beta-D-glucoside 448.2308476 3.1578 M-H 21630845 - --
Azimsulfuron 424.1025844 4.8285 M-2H+Na 86355 C18438 --
Dichlorphenamide 303.9146036 0.754 3M-H+Cl 3038 C07459 --
Pyrocatechol 110.0367795 1.2289 M-H 289 C15571 --
Indole 117.0578492 2.3341 M-H 798 C00463 ko00380,ko00400,ko00402,ko01100,ko01110
Esmeraldin B 652.1957994 6.7261 M+Cl+NaCOOH 443757 C12310 --
Quizalofop-P-tefuryl 428.1138996 0.8308 M-H 86175 C18764 --
Moguisteine 339.1140436 2.3649 M-H+NaCOOH 65935 C71662 --
cyclic ADP-ribose 541.0611099 1.1296 M-H2O-H 123847 - --
Anhydroamarouciaxanthin B 578.3759956 11.4368 M-H 23428237 - --
Erybraedin A 392.1987595 4.2744 M+Cl 362562 - --
Rabdosiin 718.1533851 3.4334 M+Cl 471121 - --
5-Methoxy-6,7-methylenedioxyflavone 296.0684736 3.9541 3M+Cl 189609 - --
(3''-Apiosyl-6''-malonyl)astragalin 666.1432144 3.1881 M-H 131752459 - --
Homocitrulline 189.1113414 2.3187 M+F 65072 C02427 --
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-phenyl-, (S)- 564.1842913 4.5514 M+Cl 189596 - --
2,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline 336.0164548 11.0764 M-H 3272524 - --
Carglumic acid 190.0589715 3.234 M+CH3COO 121396 C05829 ko00340
N-Acetyl-L-glutamic acid 189.0637225 1.1981 M-H2O-H 70914 C00624 ko00220,ko01100,ko01110,ko01210,ko01230
3',5,6-Trihydroxy-3,4',7,8-tetramethoxyflavone 3-glucoside 552.1479058 8.4144 M-H 14375127 - --
1,1-Dihydroxypropan-2-one 90.0316941 0.9532 M-H 13180982 - --
Ampeloside Bs1 934.4773452 7.7796 M+Cl 14187142 - --
MK886 sodium 493.1818205 6.1715 M-H 4519262 - --
Tyrphostin 47 220.0306482 7.9292 M+Cl+NH3 667601 - --
Prednisolone 21-all-cis-farnesylate 578.3607395 9.6077 M-H-C6H10O4 5282236 - --
Clomocycline 508.1248583 2.1652 M-H-C6H10O5 54680675 - --
HIV Gag (129-135) 820.3966842 7.4737 M-H-CO 18752500 - --
2-Methylbenzoic acid 136.0524295 1.6277 M-H 8373 C07215 ko01100
Ethyl salicylate 166.0629942 4.8285 M-H 8365 - --
Eudesmic acid 212.0684736 4.7514 M-H2O-H 8357 - --
Syringin 372.1420325 2.2881 M-H 5316860 C01533 ko00940
Rabeprazole sodium 381.112305 4.5359 2M-2H+K 14720269 C07865 --
16alpha,17alpha-Dihydroxyprogesterone acetophenide 448.2613598 6.4348 M-H 102011 - --
3,3',4',5,6,7,8-Heptamethoxyflavone 432.1420325 5.753 M+CH3COO 150893 - --
Pradimicin A 840.2589129 4.9212 M+Cl 5479145 - --
Dexamethasone acetate 434.2104671 4.3977 M+Cl 236702 C08174 --
Flavidulol C 514.30831 8.2926 M+CH3COO 131752564 - --
Spectracef 620.1181595 5.9079 M-H 6437877 - --
(3-formyl-2a,4a,7-trihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl) 3-chloro-4,6-dihydroxy-2-methylbenzoate 466.1394457 5.7218 M+Cl 76046882 - --
Melledonal C 480.1550958 5.3754 2M-2H+K 189493 - --
5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid 502.1991535 2.5457 M+K-2H 6444688 - --
4'-O-beta-D-glucosyl-cis-p-coumaric acid 326.1001677 2.4268 M-H 10604651 C06739 --
4-Chlorobenzoyl-CoA 905.1024525 2.5157 M-2H+Na 3082839 C06387 ko01100
Tetracenomycin B3 394.0688675 1.6584 3M-H+Cl 195205 - --
Isolimocitrol 376.0794322 7.0926 M-H 15290461 - --
Lysyl-D-prolylthreonine 344.2059701 2.0437 M+Cl 159483 - --
Coumafuryl 298.0841236 3.4334 M+NH4-2H 54689800 C18599 --
Rubiadin 254.0579089 5.6595 M-H 124062 - --
LysoPG 16:0 484.2801202 11.0568 M-H 42607483 - --
4',5,6,7-Tetramethoxyflavone 342.1103384 1.1828 M-H-CH4 96118 C14472 --
Sampangine 232.0636629 6.6188 M+CH3COO 387195 - --
Ramatroban 416.1206062 2.2881 M-H 123879 - --
Aflatoxin G1 328.0583028 5.815 M-H 14421 C16755 ko00254,ko01100,ko01110
Theasinensin F 898.1592584 3.3872 M-H 467316 - --
Oolongtheanin 732.1326497 2.7168 M-H 14080131 - --
5-(Methylthio)-2,3-dioxopentyl phosphate 242.0013959 2.3649 M+F 561 C15650 ko00270,ko01100
Salvianolic acid C 492.105647 6.527 M-H-CH2 13991590 - --
2,7-Dideacetoxytaxinine J 592.3036186 6.1406 M+2Cl 44351931 - --
1'-O-Galloylsucrose 494.1271704 4.2284 M+CH3COO 14055559 - --
6'-O-Galloylsucrose 494.1271704 4.3822 M-H+HCOOH 14055547 - --
Pseudouridine 5'-phosphate 324.0358671 1.1066 M+Na-2H 439424 C01168 ko00240,ko01100
Lys-Ser-Glu 362.1801493 3.0054 M+Cl+NaCOOH 195153 - --
Urdamycin G 714.2887564 6.1715 M-H+NaCOOH 197259 - --
Methoxyadiantifoline 756.3621961 7.4587 M-H 3082725 - --
Verlukast 514.115162 1.7811 M-H 5281888 - --
4'-Methoxybenzophenone-2-carboxylic acid 256.0735589 4.906 M-H 231963 - --
Ibuprofen Acyl Glucuronide 382.162768 10.5323 M+Cl 163959 - --
Sulfadicramide 254.0725131 2.5789 2M-H 8281 - --
Regelidine 599.2519173 0.7852 M+Cl 13968328 - --
1-Cycloheptyl-3-cyclohexylurea 238.2045135 4.4741 M+Cl+CF3COOH 844674 - --
5-O-Methyleriodictyol 7-glucosyl-(1->4)-galactoside 626.1846853 3.3566 M-H-C4H8 42608066 - --
Sambacolignoside 922.3106738 4.0309 M-2H+K 133562314 - --
3alpha-hydroxy-3,5-dihydromonacolin L acid 340.2249743 6.4193 M-H+CF3COOH 195046 C20852 ko01100,ko01110
Clopidogrel 321.0590272 1.8892 M+NH4-2H 60606 - --
(+)-Zeylenol 384.1209031 2.9679 M+Cl 14283260 - --
Dansyl-Tyr-Val-Gly 570.2148203 9.3471 M-H+HCOOH 15932701 - --
4-[(4-Bromobenzyl)oxy]-3-methoxybenzoic acid 335.9997201 3.5571 M-H-CO2 5230282 - --
Nomilinic acid 17-glucoside 712.2942358 3.4025 M+Cl+NH3 73066469 - --
Biphenyl-2,3-diol 186.0680796 7.4287 M+HCOO 254 C02526 ko01100
Mosapride citrate 613.1838504 6.4348 M-H-CH4 119583 - --
L-Gulonolactone 178.0477381 7.8251 2M-H 439373 C01040 ko00053,ko01100,ko01240
NCGC00384912-01_C38H61NO9_(3beta,9xi,16alpha)-3-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid 675.4346328 10.0513 M+Cl 75411913 - --
4-Chloro-5,6,7,8-tetrahydroquinazoline 168.045426 2.3034 3M+Cl 12582969 - --
Danofloxacin 357.1488698 7.4737 M+Cl+HCOOH 71335 - --
Dalfopristin 690.3298501 3.547 M+Cl 6323289 - --
1,2,4,8-Tetraacetoxy-7-hydroxy-3-(4-hydroxyphenyl)dibenzofuran 508.1005616 1.4893 M+Cl+NH3 13889540 - --
1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran 508.1005616 5.863 M+F 131751612 - --
Joro spider toxin 565.3587824 11.4368 M-H 119582 C13931 --
FFA(18:1) 282.2558805 11.0994 M-H 445639 C00712 ko00061,ko00073,ko01040
gamma-Glutamylglutamate 276.095751 7.2609 M-H2O-H 92865 C05282 --
alpha-L-Mannopyranoside, 4-(2-(dimethylamino)ethyl)phenyl 6-deoxy- 311.173273 5.7918 M-H 183333 - --
Amlodipine besylate 566.1489645 1.6584 M-H-CH2 60496 - --
Isorhamnetin-3-O-rutinoside-4'-O-glucoside 786.2218587 2.4422 M-H+NaCOOH 5481664 - --
Lestaurtinib 439.1532063 7.3529 M+Cl 126565 - --
N-ethylene glycol neuraminic acid 325.100896 0.8461 M-H2O-H - C03410 ko00520
Pantoic acid 148.0735589 2.4422 M+Na-2H 439251 C00522 ko00770,ko01100,ko01110,ko01240
Pioglitazone 356.1194633 5.1069 2M+Cl 4829 C07675 --
Sebacic acid 202.1205092 6.2796 M-H2O-H 5192 C08277 --
Pimelic acid 160.0735589 3.0513 M-H 385 C02656 ko00780,ko01100,ko01240
Yamogenin 3-O-neohesperidoside 722.4241277 9.9389 M-H 441901 C08919 --
Campesteryl brassidate 720.6784323 5.8771 M-H+HCOOH 13828691 - --
(5S,6R,7E,9E,11Z,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoic acid 350.2093242 3.4489 M+Cl 13914950 - --
Hedamycin 746.3414607 8.1629 M+Cl+HCOOH 98033 - --
Meclozine dihydrochloride 462.1396322 4.6518 M+Cl+HCOOH 64713 - --
Selfotel 223.0609596 3.8174 M+Cl+NH3 68736 - --
Haemocorin 642.194856 10.915 M-H 165899 C09932 --
Glyphoside 506.106041 9.0239 M+HCOO 74978233 - --
Agnuside 466.1475118 5.4976 M-H 442416 C09765 --
Deglucoparillin 886.4926013 8.7498 M-H 418709 - --
4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one 576.1842913 4.5206 M-2H+Na 2364 - --
5-Deoxymyricanone 340.1674594 9.3778 M-H 21637794 - --
Succinic acid 118.0266087 1.3211 M-H 1110 C00042 ko00020,ko00190,ko00250,ko00310,ko00350,ko00360,ko00620,ko00630,ko00640,ko00650,ko00760,ko00920,ko01100,ko01110,ko01200
5-Methylcoumarin-4-cellobioside 500.1529912 1.8503 M+Cl+HCOOH 196631 - --
Kifunensine 232.0695362 6.001 M-H 130611 - --
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 623.3880766 0.6588 M+Cl+HCOOH 6439268 - --
1,3,4,5-tetra-O-galloylquinic acid 800.1072228 8.8871 M-H 124020 - --
Ethyl 1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 290.1088986 5.3678 3M-2H+Na 2784297 - --
Epigallocatechin 3-O-cinnamate 436.1158177 9.3854 M-H 21629801 - --
Nordazepam 270.0559907 2.4113 M+Cl+NH3 2997 C07486 --
2-Chloro-5-fluorobenzimidazole 170.0047041 2.3649 M-H+CF3COOH 11615253 - --
Heptyl 4-hydroxybenzoate 236.1412446 6.0165 M+Cl 14138 C14718 --
12-KETE 318.2194949 11.0688 M+Na-2H 5283162 C14807 ko00590
1-Eicosanoyl-sn-glycero-3-phosphocholine 551.3950904 10.7919 M+HCOO 24779473 C04230 ko00564
Haploside C 696.1901646 1.1373 M+Cl 44260015 - --
3,6-Dihydroxyflavone 254.0579089 8.5518 M- 688659 - --
Fumagillol 282.1831094 9.5617 M-H 222778 - --
Succinic anhydride 100.016044 1.3211 M-H 7922 C19524 --
Flufenprox 450.120957 2.839 M-H 86103 - --
Homoeriodictyol (+/-)- 302.0790383 7.705 M-H 3512637 - --
Arsonoacetic acid 183.9352925 1.0605 M+F 67178 C06550 --
Petunidin-3-(p-coumaroyl)-rutinoside-5-glucoside 933.2664632 2.6406 M-2H+K 9897848 - --
Procyanidin B-5 3,3'-di-O-gallate 882.1643438 3.7104 M-H 3086518 - --
coenzyme alpha-F420-3 902.2218897 2.8237 M+Cl 45480639 C19151 ko01100
Nomilin 514.2202829 9.6382 M+K-2H 72320 C08773 --
Butyl 4-[(chloroacetyl)amino]benzoate 269.0818712 6.7568 M-H+CF3COOH 236731 - --
L-Ascorbic acid monostearate 442.2930539 3.1578 M-H 54676866 - --
Palmatine chloride 387.123736 1.6277 M-H-CH3 73442 - --
Palmatoside G 492.1995474 4.0001 M+Cl+HCOOH 184515 C17507 --
6-Glucopyranosylprocyanidin B1 740.19525 6.5116 M-H 21636073 - --
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid 248.0684736 8.065 M-H-CO 128356 - --
Aloeresin D 556.1944621 8.3231 M-H+CF3COOH 14211225 - --
(2S,3R,4S,5S,6R)-2-[4-[1,3-Dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 568.2155915 3.5571 M+Cl 11972318 - --
4-(4-Hydroxyphenyl)-2-butanone O-[2,6-digalloylglucoside] 630.1584705 7.5988 M-H 14345585 - --
Tyrosyltyrosine 344.1372219 9.5464 M-H 70590 - --
Kuwanon Z 594.1525972 9.3471 M-H 117945222 - --
6''-Carboxyraffinose 518.1482998 5.1846 M+Cl+CF3COOH 196608 - --
Dethiosecoemestrin 532.111795 8.8721 M-H+NaCOOH 128678 - --
Plantamajoside 640.2003353 6.7874 M+HCOO 5281788 C10485 --
Quinacridone 312.0898777 1.3211 M-H 13976 - --
Difethialone 540.0585925 3.8632 M+Cl 91771 C18695 --
Pramipexole 211.1143183 9.5924 3M-2H+K 119570 - --
Bromperidol 421.0878362 2.1345 M+Cl+NH3 2448 - --
Urdamycin B 696.2781917 3.3719 M+Cl 175974 C12406 ko01110
Dihydrokaempferol 288.0633882 1.1373 3M-H 662 - --
2-chloro-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}acetamide 330.9852104 1.0605 2M-2H+K 721139 - --
Delphinidin 3,5-di(6-O-malonylglucoside) 799.1569127 4.1684 M+Cl+CF3COOH 73157738 - --
Atipamezole hydrochloride 248.1080263 4.6287 M+Na-2H 13649426 - --
8-Hydroxydemethylclomipramine 316.1342411 3.326 2M-H+Cl 10018695 - --
Flazasulfuron 407.0511239 2.7625 M+Cl+CF3COOH 93539 C18441 --
2-Amino-5-[[amino-[[5-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]amino]methylidene]amino]pentanoic acid 715.1727857 3.1273 M+Cl 493 - --
Proanthocyanidin A1 576.1267764 4.5505 M+HCOO 9872976 - --
Moexipril 498.2366016 4.7514 M-H+NaCOOH 91270 C07704 --
5-(Hydroxymethyl)-2(5H)-furanone 114.0316941 4.1076 M-H+NH3 144863 - --
4-O-Methyl-a-D-glucosyl-(1->2)-b-D-xylosyl-(1->4)-D-xylose 472.1428204 4.4126 M-H-CH3 78382737 - --
Tepoxalin 385.1193193 1.6277 M+Cl 59757 C18362 --
Salidroside 300.1209031 2.4979 M-H 159278 C06046 ko00350,ko01100
Flumioxazin 354.1015853 2.5036 M+CH3COO 92425 C11035 --
(3R)-5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-1-methyl-3H-1,4-benzodiazepin-2-one 397.1590406 10.7919 M-H 656755 C13824 --
3-[1-[(4-Chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid 373.1244849 8.9473 M+CH3COO 122070 - --
6-Glucopyranosylprocyanidin B2 740.19525 3.6186 M-H 131752185 - --
6-Glucopyranosyl-(-)-epicatechin 452.1318618 3.2646 M-H 131752183 - --
2'-Deoxycytidine-5'-monophosphate 307.0569369 4.4285 2M-H 13945 C00239 ko00240,ko01100,ko01232
Chloramphenicol 3-acetate 364.0228917 4.9988 M+Cl 83940 C03601 --
Phenylacetic acid 136.0524295 3.1729 M-H 999 C07086 ko00360,ko01100
Dibenzyl ether 198.1044651 5.8615 3M+2Cl 7657 - --
trans-Stilbene 180.0939004 4.3515 M-2H+K 638088 - --
Prontosil 291.0789954 5.8228 2M-H 66895 C07573 --
Mulberroside A 568.1792059 4.9522 M+Cl 6443484 - --
4'-Cyanobenzanilide 222.079313 4.3977 2M+Cl 82513 - --
Hydroxyzine pamoate 762.2707943 7.2915 M+Cl 25096 - --
Glyburide 493.1438196 6.0165 M-H 3488 C07022 --
Naringin 580.1792059 4.9673 M+HCOO 442428 C09789 ko00941
[5-[3,5-dihydroxy-2-(1,3,4-trihydroxy-5-oxopentan-2-yl)oxyoxan-4-yl]oxy-3,4-dihydroxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 560.1741206 4.7056 M-H-HCOOH 14632958 - --
2,3,4,5-tetrahydroxy-8-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-6-one 400.0794322 6.3417 M+HCOO 73818214 - --
Pyrrolnitrin 255.9806329 1.1981 M-H 13916 - --
Jaceidin 360.0845176 5.1535 M-H 5464461 - --
6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine 298.1542093 9.6685 M+CH3COO 512292 - --
7-Methylguanosine 5'-phosphate 378.0814746 1.858 M+Cl 135398701 C03998 --
Mulberrofuran Q 592.1369471 3.2579 M-H 5319933 - --
6-C-Fucosylluteolin 432.105647 4.4746 2M-H 74977561 - --
Mulberrofuran M 590.1212971 3.6798 M-H 21594897 - --
Mulberrofuran P 574.1263824 7.8606 M-H 72549225 - --
Afzelechin-(4alpha->8)-afzelechin 546.1525972 2.3958 M-H 442671 - --
4-Chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol 389.1142339 2.1042 M+Cl+NH3 135566415 - --
3,8'-Biapigenin 538.0899969 5.5818 M+HCOO 10414856 - --
3-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyloxy)-4',5,7-trihydroxy-3',6-dimethoxyflavone 670.1745145 6.2024 M-H 21676286 - --
3',7-Dimethoxy-4',5,8-trihydroxyflavone 8-glucoside 492.1267764 3.1729 M+CH3COO 131752831 - --
Islanditoxin 571.1600539 11.0075 M-2H+Na 114782 - --
Radicinin 236.0684736 4.96 2M-H 5381458 - --
3,3',4'5-Tetrahydroxystilbene 244.0735589 6.4193 M-H 667639 C05901 ko00945
Halosulfuron-methyl 434.0411454 2.7168 M+HCOO 91763 C18442 --
1-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholine 545.3481402 6.4348 M+Cl 52924055 - --
Acetaminophen sulfate 231.0201432 2.2575 2M-H 83939 - --
5-Chloro-2-methylbenzothiazole 182.9909476 1.0911 3M+Cl 13873 - --
Docusate 422.2338244 10.5323 M-H 11339 C07874 --
Methyl 2-[(phenylsulfonyl)amino]benzoate 291.0565287 0.754 M+Cl+HCOOH 347180 - --
Pentadecanoic acid 242.2245803 10.6234 M-H 13849 C16537 --
5beta-Estrane-3alpha,17beta-diol 278.2245803 7.4437 M+Cl+NaCOOH 255697 - --
Terephthalic acid 166.0266087 2.6559 M-H 7489 C06337 ko01100
{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidanium 688.1098058 2.3494 M-H-C6H10O5 131838538 - --
{[6-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid 498.083197 5.1846 M-H 131831377 - --
{[5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acid 630.1254558 5.6595 M+F 131831505 - --
{[4-(7-methoxy-2-oxo-2H-chromen-6-yl)-2-oxobut-3-en-1-yl]oxy}sulfonic acid 340.0252882 5.7995 M-H 131835260 - --
{[4-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,5-dimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-2-yl]methoxy}sulfonic acid 742.1832455 7.1536 M-H 131838951 - --
{[1-(4-hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-yl]oxy}sulfonic acid 418.1086239 5.0448 M+HCOO 131832344 - --
{[1-(2,4-dihydroxyphenyl)-3-(3-hydroxyphenyl)-1-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]propan-2-yl]oxy}sulfonic acid 612.1301472 7.3252 M+NH4-2H 131838812 - --
{[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-1-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]propan-2-yl]oxy}sulfonic acid 628.1250619 6.2177 M-H 131838793 - --
{[1-(2,4-dihydroxyphenyl)-1-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3-(3-hydroxyphenyl)propan-2-yl]oxy}sulfonic acid 628.1250619 6.4656 M+NH4-2H 131838783 - --
{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-2-yl]oxy}sulfonic acid 286.051109 3.7869 2M-H 131836971 - --
{[(3E)-4-(5-hydroxy-1-oxo-1H-isochromen-3-yl)but-3-en-2-yl]oxy}sulfonic acid 312.0303735 4.2744 M-H 131836256 - --
{[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 284.1082299 4.6287 3M-H 131832935 - --
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy({3-hydroxy-2,2-dimethyl-3-[(2-{[2-(prop-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]propoxy})phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid 821.1257748 9.9989 M-H-C6H10O5 439340 - --
{[(2R)-2-azaniumyl-3-{[(1E)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]sulfanyl}propanoyl]amino}acetate 350.1048759 2.7778 2M-H 90657214 - --
{[(1E)-5-oxo-1,7-diphenylhept-1-en-4-yl]oxy}sulfonic acid 360.1031446 1.6354 2M-H 131837749 - --
{8-[2-(acetyloxy)propan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl}oxidanesulfonic acid 384.0515029 11.2219 M+HCOO 131835387 - --
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid 676.1309352 3.6603 M-H 131833251 - --
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 482.0518969 5.815 M-H 131833622 - --
{6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid 514.0781117 6.2023 M-H 131831372 - --
{6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 512.0624616 5.0448 M-H 131833608 - --
{6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 512.0624616 5.3223 M-H 131833615 - --
{5-hydroxy-6-[3-(4-hydroxyphenyl)propanoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl}oxidanesulfonic acid 452.1141032 3.2187 M-H 131832281 - --
{5-hydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl}oxidanesulfonic acid 450.0984531 6.094 M+CH3COO 131832277 - --
{5-[6-(3,4-dihydroxyphenyl)-8,13-dihydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-12-yl]-2-hydroxyphenyl}oxidanesulfonic acid 532.067547 7.9292 M+HCOO 131831444 - --
{5-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyphenyl}oxidanesulfonic acid 522.0468115 9.0547 M-H 131834543 - --
{5-[12-(3,4-dihydroxyphenyl)-8,13-dihydroxy-4-oxo-3,11-dioxatricyclo[8.4.0.0(2),]tetradeca-1(10),2(7),8-trien-6-yl]-2-hydroxyphenyl}oxidanesulfonic acid 532.067547 0.7697 M-H-C4H8 131831443 - --
{4-hydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-8-yl}oxidanesulfonic acid 422.1035385 1.9665 M-H-C6H8O6 131837336 - --
{4-[7,15,23-trihydroxy-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1(2),.1(1),(1)(3).0(2)(1),(2).0,(2).0(1),(2)]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaen-3-yl]phenyl}oxidanesulfonic acid 758.1457973 8.2926 M-H 131835421 - --
{4-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid 486.0984531 2.227 M-H 131832548 - --
{4-[5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-3-yl]-2-hydroxy-6-(3-methylbut-2-en-1-yl)phenyl}oxidanesulfonic acid 502.1297533 2.7168 M-H 131838443 - --
{4-[3-oxo-3-(2,3,4,6-tetrahydroxyphenyl)prop-1-en-1-yl]phenyl}oxidanesulfonic acid 368.0202028 8.445 M+F 131836400 - --
{4-[3-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 432.0878884 4.6441 M- 131832333 - --
{4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propanoyl]phenyl}oxidanesulfonic acid 418.1086239 5.97 M+CH3COO 131832326 - --
{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 402.0773237 1.3058 M-H 131832336 - --
{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenyl}oxidanesulfonic acid 452.1141032 7.6249 M-H 131832280 - --
{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 400.0100321 1.6891 M+CH3COO 131831792 - --
{4-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl}oxidanesulfonic acid 428.0413322 2.6251 M-H 131835084 - --
{4-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-trihydroxy-6-({[(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene}oxidanium 836.1622353 4.4285 M-H+NaCOOH 134159988 - --
{4-[(E)-2-{3,5-dihydroxy-4-[3-(propan-2-yl)oxiran-2-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 392.0929738 6.094 M-H 131835309 - --
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 374.0824091 1.9357 M+CH3COO 131835316 - --
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 408.0878884 7.3987 M+CH3COO 131835346 - --
{4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 392.0929738 2.1068 2M-2H+Na 131835285 - --
{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 392.0929738 1.8892 M-H 131835290 - --
{4-[(2,4-dihydroxy-3-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-2-yl)methyl]phenyl}oxidanesulfonic acid 530.0730263 6.1715 M-H 131837429 - --
{4-[(1E)-3-{2,3-dihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4,6-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-1-en-1-yl}-3-oxoprop-1-en-1-yl]phenyl}oxidanesulfonic acid 692.1258498 5.9545 M+CH3COO 131834637 - --
{4-[(1E)-3-oxo-3-{2,3,4-trihydroxy-5-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}prop-1-en-1-yl]phenyl}oxidanesulfonic acid 692.1258498 7.8378 M+Cl 131834568 - --
{4,9-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-8-yl}oxidanesulfonic acid 438.0984531 3.1881 M+F 131837345 - --
{4,8-dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.1(3),]icosa-1(17),3,5,7(20),15,18-hexaen-9-yl}oxidanesulfonic acid 438.0984531 3.1881 M+Cl 131837344 - --
{3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium 350.0096381 8.4144 M-H 131831691 - --
{3-[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl}oxidanesulfonic acid 606.083197 7.9592 M-H 131835521 - --
{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenyl}oxidanesulfonic acid 494.0518969 3.588 M-H+NaCOOH 131833689 - --
{3-[6,9,17,19,21-pentahydroxy-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-13-yl]phenyl}oxidanesulfonic acid 896.1622353 4.6287 M-H 131832419 - --
{3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic acid 896.1622353 3.7104 M-H 131832421 - --
{3-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid 486.0984531 1.898 M-H 131832556 - --
{3-[3-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-2-yl]-2,6-dihydroxyphenyl}oxidanesulfonic acid 584.1716181 2.9903 M-H 131836082 - --
{3-[3-(2,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-hydroxypropyl]phenyl}oxidanesulfonic acid 628.1250619 0.8919 M-H-CH4 131838781 - --
{3-[2-(3,5-dihydroxyphenyl)ethyl]phenyl}oxidanesulfonic acid 310.051109 8.617 M-H 131836170 - --
{3-[2-(3,4-dihydroxy-5-methoxyphenyl)ethyl]phenyl}oxidanesulfonic acid 340.0616737 1.1981 M+Cl 131836151 - --
{3-[(6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]phenyl}oxidanesulfonic acid 358.0874945 1.2596 M-H 131837725 - --
{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid 304.0405443 1.9245 M+Cl 131839036 - --
{3-[(2,4,6-trihydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)methyl]phenyl}oxidanesulfonic acid 368.0202028 1.7811 M+F 131837466 - --
{3-Fluoro-4-[4-(pyrimidin-2-yl)piperazin-1-yl]phenyl}methanamine 287.1546239 6.6955 M+Cl+CF3COOH 28965118 - --
{3,7,15-trihydroxy-16,17-dimethoxy-9-oxotricyclo[12.3.1.1(2),]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl}oxidanesulfonic acid 468.1090178 5.0139 M-H 131837556 - --
{2-hydroxy-5-[7,15,23-trihydroxy-11,19-bis(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.1(2),.1(1),(1)(3).0(2)(1),(2).0,(2).0(1),(2)]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaen-3-yl]phenyl}oxidanesulfonic acid 774.1407119 8.1705 M-H 131835429 - --
{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl}oxidanesulfonic acid 640.1098058 4.9364 M-H 131833706 - --
{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acid 514.0781117 4.2437 M-H 131831373 - --
{2-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 644.1047204 8.8721 M-H 131833297 - --
{2-[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid 704.1258498 4.7361 M-H 131833312 - --
{2-[3,5-dihydroxy-4-(sulfooxy)phenyl]-3-hydroxy-5-oxo-5H-chromen-7-yl}oxidanium 381.9994674 0.6745 M+CH3COO 131836558 - --
{2-[(4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl}oxidanesulfonic acid 644.1047204 7.9292 M-H 131831883 - --
{2-[(2-{4-[3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl]phenoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl}oxidanesulfonic acid 630.1254558 6.001 M+F 131838582 - --
{2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-yl}oxidanesulfonic acid 370.0358529 6.4038 M-H 131837454 - --
{11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-4-yl}oxidanesulfonic acid 436.0464176 5.0758 M-H+CF3COOH 131835193 - --
{1-[5-hydroxy-8-(2-hydroxypropan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-4-yl]propoxy}sulfonic acid 400.0828031 1.1449 M-H+HCOOH 131836341 - --
uroporphyrin III(8-) 822.1656811 3.8479 M+Cl+CF3COOH 131841493 - --
trans-Zeatin riboside triphosphate 591.0532617 1.6891 M-H-CH2 24892782 - --
trans-2-nonenoyl-CoA(4-) 901.188375 2.2728 M+Cl 72193739 - --
tetrahydrothiophene 88.03467098 1.7811 3M-H 1127 - --
tert-Butyl (4-(3-((7-(hydroxyamino)-7-oxoheptyl)carbamoyl)isoxazol-5-yl)phenyl)carbamate 446.2165348 3.1578 M-H 24951314 - --
rhodomycinone D 558.1975361 4.49 M+Cl+NaCOOH 72715838 - --
quercetin 3-O-gentiobioside-7-O-rhamnoside 772.2062086 2.6251 M-H 90657553 - --
"quercetin 3-O-(3',6""""-O-di-p-coumaroyl)-glucoside" 756.1690352 3.8021 M+Cl 23265223 - --
"quercetin 3-O-(3""""-O-p-coumaroyl, 6""""-O-feruloyl)-glucoside" 786.1795999 7.4887 M+Cl 90659023 - --
quercetin 3,5-O-diglucoside 626.1482998 3.6492 M+F 44229098 - --
prenylated FMNH2 524.1672157 8.3862 M-2H+K 102515050 - --
phloretin 2'-O-glucoside 435.1291221 4.6596 2M-2H+K 46926173 - --
pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-(6-O-malonyl-beta-D-glucoside) 841.1827335 1.7747 M-H 45266706 - --
p-Mentha-1-ene-8-yl 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside 462.2464976 5.5818 M+Cl+NH3 14682777 - --
p-Hydroxy rosiglitazone 373.1096269 5.49 M-H 9864316 - --
oxidized coenzyme F420-1 640.1054033 4.9517 M-H+NaCOOH 46878502 - --
neocarratetraose 4-O-sulfate 709.1497189 4.1076 M-H-CH3 54758590 - --
n-(2-Chloroacetyl)glycine 302.0072416 3.7716 M-H 139086162 - --
mycinamicin VI(1+) 668.400987 0.6745 M-H 56927772 - --
methylgallic acid-O-sulphate 263.993988 2.6559 M-H 124202112 - --
methyl 6-O-galloyl-beta-d-glucopyranoside 346.0899969 1.6584 2M-H 5319658 - --
methyl (2S,3S,4S,5R,6S)-6-[(7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl)oxy]-3,4,5-triacetyloxyoxane-2-carboxylate 717.2091259 5.7375 M-H-NH3 131876637 - --
meclofenoxate 257.0818712 3.516 3M-2H+K 4039 C08195 --
magnesium;methyl (3R,11Z,12R,21S,22S)-16-acetyl-11-ethylidene-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,13(25),14,16,18,20(23)-nonaene-3-carboxylate 902.4832784 8.1856 M-H 124201686 C21435 ko00860
magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-12-formyl-3-methoxycarbonyl-17,21,26-trimethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate 626.2015771 1.6398 M+Cl 122706512 - --
magnesium 608.1910124 7.4437 M+Cl+HCOOH 54743931 - --
lipoyl-AMP 535.0960414 2.96 M-H+CH3CN 23724672 C16238 ko00785,ko01100
l-Histidinol phosphate 221.0565429 1.6354 2M-H 439398 C01100 ko00340,ko01100,ko01110,ko01230
kaempferol 7-O-glucoside 448.1005616 4.5053 M-H 10095180 - --
kaempferol 3-O-beta-D-xyloside 418.0899969 4.2744 M-H 21310440 C20727 --
kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside 594.1584705 2.3034 M-H 21606527 - --
"kaempferol 3-O-(6""""-O-feruloyl)-glucoside" 624.1479058 4.5591 M-H-C3H2O3 23265189 - --
jadomycin A 419.1368875 4.675 M+F 12160163 C18680 ko01110
isopentenyladenine-9-N-glucoside 365.169919 2.5942 M-H 25200472 - --
iron(2+);3-[(2S,3S,7S,8S)-7,13,17-tris(2-carboxyethyl)-3,8,12,18-tetrakis(carboxymethyl)-3,8-dimethyl-2,7-dihydroporphyrin-21,23-diid-2-yl]propanoic acid 916.2102721 5.0758 M+Cl 439303 C00748 ko00860,ko01100,ko01110,ko01240
indol-3-ylacetyl-CoA 924.1679739 3.4489 M+Cl 24906307 - --
hydrodidemethylasterriquinone D 372.1110071 2.0284 M+Cl 90659054 - --
hesperitin-7-O-beta-D-glucoside 464.1318618 3.4798 M-H 91820514 - --
helonioside A 694.2109 4.5206 M+Cl+HCOOH 16745274 - --
gamma-L-glutamylbutirosin B 684.3177651 6.094 M+Cl 46174033 C18005 ko00524,ko01110
gamma-Glutamyl-Se-methylselenocysteine;5-L-Glutamyl-Se-methylselenocysteine 312.022486 9.0547 M-H 49787003 C05695 ko00450
ent-Epicatechin-(4alpha->8)-ent-epicatechin 3'-gallate 730.1533851 3.326 M-H 15593122 - --
"delphinidin 3-O-[2""""-O-(xylosyl)] glucoside" 595.12991 8.8721 M-H 102515146 - --
delphinidin 3-O-(6''-O-malonyl)-beta-glucoside 548.0802202 3.5571 M-H 86289400 - --
"delphinidin 3-O-(6""""-O-malyl-beta-D-glucoside)" 578.0907849 3.6645 M-H 102515301 - --
deferrioxamine G 618.3588421 9.3165 M-H-HCOOH 91820504 - --
deacetoxycephalosporin C(1-) 356.0916311 5.7218 M-H-NH3 25244072 - --
dTDP-beta-L-evernosamine 559.1332123 4.9673 M-H 86289139 C20765 --
dTDP-beta-L-4-epi-vancosamine 545.1175622 5.5663 M+Cl 15519422 C12321 ko01100,ko01110,ko01250
dTDP-alpha-D-mycaminose(1-) 574.1203019 5.5663 M-H 56927719 - --
dTDP-alpha-D-forosamine(1-) 542.1304726 5.551 M-H-CH4 90658803 - --
dTDP-acarviose-7-phosphate 785.1210666 6.8181 M+NH4-2H 121225194 C21208 ko01100,ko01110
dTDP-L-ristosamine 531.1019121 6.9726 M+Cl+NH3 45479250 C18092 ko01110,ko01250
dTDP-D-galacturonate 578.0550216 1.6584 M+Cl 439883 C03034 --
dTDP-5,5-di-C-methyl-beta-L-lyxose 562.0964924 1.982 M+Cl 46173802 - --
dTDP-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose 544.0859277 4.4132 M+Cl+NaCOOH 441102 - --
dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-) 512.059713 2.7168 M+Cl+NaCOOH 90657283 - --
dTDP-4-amino-4,6-dideoxy-5-C-methyl-L-mannose 561.1124768 2.96 M+Cl+NH3 443216 C11461 ko00523,ko01110
dTDP-4-acetyl-alpha-D-ravidosamine 616.1308666 7.8073 M-H 102515150 - --
dTDP-4-acetamido-4,6-dideoxy-alpha-D-glucose 589.1073915 5.4748 M+Cl+CF3COOH 440881 C06018 ko01100,ko01250
dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose 529.1226476 5.0139 M-H 90657345 C21395 --
dTDP-3-oxo-4,6-dideoxy-D-glucose;dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose;dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucopyranose 530.0702777 4.2897 M-H 441097 - --
dTDP-3-amino-4-dehydro-2,3,6-trideoxy-alpha-D-glucose 528.078437 2.4209 M-H 90658831 - --
dTDP-3-amino-2,3,6-trideoxy-C-methyl-D-erythro-hexopyranos-4-ulose 543.1019121 7.9292 M+Cl 15519421 C12319 ko01100,ko01110,ko01250
dTDP-3-O-methyl-4-oxo-2,6-dideoxy-L-mannose 544.0859277 7.8398 M+F 112499964 C21071 ko00523,ko01100,ko01110,ko01250
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-beta-L-allose 556.1097372 5.5051 M+Cl 90657821 - --
dTDP-3-N,N-dimethylamino-4-oxo-2,3,6-trideoxy-D-glucose 557.1175622 9.8189 M+Cl 90658900 C21073 ko00523,ko01100,ko01110,ko01250
dTDP-3-N,N-dimethylamino-4-keto-2,3,6-trideoxy-L-allose 557.1175622 4.3977 M-H+NH3 90657822 C21074 ko00523,ko01100,ko01110,ko01250
dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose 528.0546276 1.6584 M-H 441099 C06620 ko00523,ko01100,ko01110,ko01250
dTDP-(2R,4S,6S)-4-amino-2,4-dimethyloxan-3-one 542.0940871 4.675 M-2H+K 90657222 - --
cytosyl-4'-oxo-beta-D-glucuronate 284.0518748 3.4798 M-H-C2H4 91820180 - --
cyanidin 3-O-glucoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside) 730.1745145 4.906 M-H+HCOOH 90659011 - --
cyanidin 3-O-glucoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside) 892.227338 5.4288 M+Cl+NaCOOH 90657732 - --
cyanidin 3-O-beta-D-caffeoylglucoside 609.1244307 9.8789 M-H 102514964 - --
cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside 726.1795999 8.1553 M-H 102515296 - --
"cyanidin 3-O-(6""""-O-malyl-beta-D-glucoside)" 562.0958702 3.3566 M+Cl 102515400 - --
cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside 625.1404747 4.1533 M-H+CF3COOH 50909830 C19762 ko00942
cyanidin 3,5-di-O-beta-D-glucoside 610.1533851 3.6109 M-H-CH4 165000 - --
coproporphyrinogen III(4-) 656.2846144 2.8084 M+Cl+CF3COOH 20849114 - --
cobalt-precorrin-6A 944.2162543 2.2881 M-2H+Na 70678582 - --
cobalt-factor II 919.2084292 2.8084 M+Cl 46173785 - --
cobalt(2+) 932.2890253 4.5053 M-H 44229179 - --
cis-3-Chloroallyl aldehyde 89.98724246 1.0758 M-H 9543055 C16348 ko01100
cis-3,4-Phenanthrenedihydrodiol-4-carboxylate 256.0735589 8.065 M+Cl 49787035 C18256 --
cis-12-Sulfojasmonate 304.0616737 9.774 3M-H 126961020 - --
chloroethylmalonyl-CoA 910.0688067 0.5823 M+Cl 49859729 - --
cADPRP 621.0274409 1.9974 M-H 73352906 C20742 --
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3-) 499.0253984 3.0819 M-H 53262351 - --
beta-aminopropionyl-CoA 838.1523239 4.4591 M+Cl 11966133 C02335 ko00410,ko00640
beta-Peltatin A 414.1314678 1.6124 M-H-CO 2363 - --
beta-D-Glucosyloxydestruxin B 771.4265873 8.627 M-H-C2H4 131752783 - --
beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp 908.1885861 4.844 M-2H+Na 56927981 - --
beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-D-Galp 625.1523989 2.7778 M+Cl 56927983 - --
beta-D-Fructose 2-phosphate 260.0297191 0.7209 M+K-2H 193537 C03267 ko00051,ko01100
beta-Amino isobutyrate 102.0555035 0.9302 M+Cl 5460213 - --
b-D-Xylopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-D-fucose 442.1686412 11.4249 M+Cl 131753075 - --
artonol B 420.1209031 8.8569 M-H 10740797 - --
apigenin-7-O-gentiobioside 594.1584705 3.9478 M-H 10841200 - --
antimycin A1 548.2733811 4.4746 M-H-C4H8 12550 C11339 --
alphamethylacetoacetyl CoA 865.1519895 3.0552 M-H-CH3 53 - --
alpha-Methyl-m-tyrosine 195.0895433 8.065 M+Cl+HCOOH 2110 C11820 --
alpha-Lactose 6'-phosphate 420.0668926 1.9357 M-H-CO 25244526 - --
alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc 529.2006697 3.5726 M+Cl+NH3 11813424 - --
alpha-D-xylopyranosyl-(1->6)-[alpha-D-xylopyranosyl-(1->6)-beta-D-glucopyranosyl-(->4)]-beta-D-glucopyranose 606.2007293 8.3079 M+Cl+HCOOH 25203470 - --
alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronosyl-(1->3)-alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronic acid 634.1592584 9.0702 M-H+NaCOOH 122391250 - --
alpha-Amyryl stearate 692.6471322 4.1076 M+Cl 21159082 - --
alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID 186.0640569 3.1729 M+CH3COO 1221 C13672 --
aclacinomycin T(1+) 570.2339216 3.1578 M+Cl 11870411 - --
aclacinomycin N(1+) 814.3649954 8.3079 M-H-H2O 71627301 - --
acarbose 7IV-phosphate 725.2143448 1.3671 M-H 90659861 C21156 ko01100,ko01110
[hydroxy-[[(2S,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate 465.9943498 0.5823 M-H 91746189 - --
[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate 518.9593613 0.8919 M-H-C6H10O4 7058167 - --
[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate 588.0297866 3.7716 M-H 25245231 - --
[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [5-(7,8-dimethyl-2-oxido-4-oxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] phosphate 782.1336605 0.754 M-H 25245854 - --
[[(5aR,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 721.0413568 2.96 M-H 53356704 - --
[[(5aR,8R,9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 697.0301234 0.9838 M-H-CH2 49792073 - --
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,5S,6S)-3,5-dihydroxy-6-methyloxan-2-yl] phosphate 571.0716746 1.8892 M+Cl+NH3 25201145 - --
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] phosphate 633.0720686 3.1501 M-H-CO2 21589155 - --
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,6R)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] phosphate 585.0509392 2.8539 M-H 25243979 - --
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] phosphate 603.0615039 1.1373 M+Cl 25200538 - --
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5S)-3,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl] phosphate 663.0826333 2.4113 M+Cl 90658429 - --
[[(2R,3S,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] 2-(dimethylazaniumyl)ethyl phosphate 473.0838567 3.825 M+Cl 25244049 - --
[[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5S)-5-formamido-3,4-dihydroxyoxan-2-yl] phosphate 561.0397058 2.0741 M-H-C6H10O5 25245185 - --
[Met5,Arg6] Enkephalin 729.3268304 4.813 M+Cl - - --
[Glp5,(Me)Phe8,Sar9] Substance P (5-11) 879.4312955 4.4132 2M-3H - - --
[DThr2] Leu-Enkephalin-Thr 700.343192 8.361 M-H+NaCOOH 99716103 - --
[DAla2] beta-Casomorphin (1-6),bovine 650.3064125 7.4737 M+Cl - - --
[DAla2,(pCl)Phe3] beta-Casomorphin,amide,bovine 529.209197 2.3034 M-H+HCOOH - - --
[9-hydroxy-2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-3-yl]oxidanesulfonic acid 358.0358529 6.1095 M-H 131836928 - --
[9,17,19,21-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-6-yl]oxidanesulfonic acid 896.1622353 3.6339 M-H 131832424 - --
[7-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium 503.1189514 7.8529 M-H-CO2 131751743 - --
[6-[5,7-Dihydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-2-(2,4,5-trihydroxyphenyl)chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate 676.0945497 8.65 M-H 131833284 - --
[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 752.122479 7.9742 M-H 51136594 - --
[6-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulate 820.1520646 7.0017 M+Na-2H 131833139 - --
[6'-Acetyloxy-5-[2-(icosa-5,8,11,14-tetraenoylamino)ethoxycarbonylamino]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate 804.3621961 4.7975 M+CH3COO 146158503 - --
[5-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid 436.1191886 7.2609 M-H 131832301 - --
[5-[8-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenyl] hydrogen sulate 638.0730263 4.7514 M-H 131835499 - --
[5-[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate 478.1001987 5.846 M-H+NH3 44123453 - --
[5-[(E)-[[5-carbamoyl-3-[3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]imidazol-4-yl]amino]methylideneamino]-3,4-dihydroxyoxolan-2-yl]methyl phosphate 573.0509392 2.311 M-H-H2O 25245036 - --
[5-Hydroxy-2-[4-hydroxy-2,5-bis(hydroxymethyl)-3-(2-methylpropanoyloxy)oxolan-2-yl]oxy-4-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl] decanoate 706.3775715 6.1095 M-H 45360060 - --
[5-(7-hydroxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid 364.0252882 7.3069 M-2H+Na 131837245 - --
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-(3-hydroxybenzoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 883.1050393 7.7009 M+Cl+NaCOOH 25244521 - --
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-(3-hydroxy-2-methylbutanoyl)sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 863.1363395 0.9685 M-H 25245081 - --
[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-phenylpropanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 895.1414248 2.7168 M+Cl 25245203 - --
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(3-oxobutanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 847.1050393 1.6354 M-H 25245580 - --
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-propanoylsulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 819.1101247 10.7765 M-2H+K 25245439 - --
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbutanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 847.1414248 3.0207 M+Cl+CF3COOH 25244093 - --
[5-(6-Aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-(3-methylbut-2-enoylsulfanyl)ethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 845.1257748 2.5942 M+Cl 25244212 - --
[5-(5-Hydroxy-3,6,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl] benzoate 478.1263824 4.844 M-H 10928896 - --
[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenyl]oxidanesulfonic acid 516.0573762 3.3693 M-H 131836782 - --
[5-(2,6-dioxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 362.0263651 2.1345 M-H+HCOOH 4670739 - --
[5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 716.1377351 4.5053 M-H 4657307 - --
[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 456.105647 3.7716 M+Cl+NH3 91093687 - --
[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid 896.1622353 4.0616 M-H 131832422 - --
[4-[5,7-Dihydroxy-8-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-hydroxy-6-(3-methylbut-2-enyl)phenyl] hydrogen sulate 504.1454034 8.2773 M-H 131838449 - --
[4-[1-Hydroxy-3-(5-methoxy-2,2-dimethylchromen-6-yl)propyl]phenyl] hydrogen sulate 420.124274 5.1846 M-H+CF3COOH 131832372 - --
[4-[(E)-2-[3,5-dihydroxy-4-[(E)-3-methylbut-1-enyl]phenyl]ethenyl]phenyl] hydrogen sulate 376.0980592 6.3417 M+Cl+CF3COOH 131835282 - --
[4-[(3S)-3,4-dimethylpentanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate 558.1889827 3.9541 M-H-C4H8 637388 - --
[4-({[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid 538.0417262 6.4503 M-H+CH3CN 131839521 - --
[4-({[3,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyloxy)oxan-4-yl]oxy}carbonyl)-2,6-dihydroxyphenyl]oxidanesulfonic acid 564.0421201 5.2457 M-H+HCOOH 131837089 - --
[4-(8-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 366.0409382 3.4334 M-H 131837236 - --
[4-(5-Sulfanylidenedithiol-3-yl)phenyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate 565.024298 2.0673 M-2H+Na 25066195 - --
[4-(5-Hydroxy-7-methoxy-8-methyl-4-oxochromen-3-yl)-2-methoxyphenyl] hydrogen sulate 408.0515029 6.1095 M-H 131835836 - --
[4-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxy-6-methoxyphenyl]oxidanesulfonic acid 398.0307675 1.1373 2M-H 131831474 - --
[4-(5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5H-chromen-2-yl)-2-methoxyphenyl]oxidanesulfonic acid 543.0808513 2.8084 M+NH4-2H 131834471 - --
[4-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulfate 352.0252882 5.5663 M-H 12088838 - --
[4-(3-{[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxoprop-1-en-1-yl)phenyl]oxidanium 834.1465852 8.4144 M-H+NaCOOH 131838574 - --
[4-(3,5-Dihydroxy-4-sulooxybenzoyl)oxy-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate 564.0421201 5.2457 M-H 131837102 - --
[4-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 354.0409382 1.5662 M-H+CH3CN 131836659 - --
[4,5-dihydroxy-6-(hydroxymethyl)-2-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)oxan-3-yl]oxidanesulfonic acid 512.0624616 2.6865 M-H 131833562 - --
[4,5-dihydroxy-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalen-1-yl] octanoate 412.2824892 11.0841 M+Cl 45359481 - --
[4,5-dihydroxy-2-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-6-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acid 510.083197 1.3211 M+CH3COO 131833535 - --
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]oxan-3-yl] 3,4,5-trihydroxybenzoate 560.1166057 10.0588 M+Cl 23846549 - --
[4,5-Diacetyloxy-6-[4-[(ethoxycarbonylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate 467.1791463 10.6539 M-H-CH2 78385899 - --
[4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulate 402.0256821 2.1806 M+HCOO 131839391 - --
[3-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-2-hydroxy-6-methoxyphenyl] hydrogen sulate 446.067153 1.0451 M+Cl 131839233 - --
[3-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)phenyl]oxidanesulfonic acid 936.2240477 5.1069 M-H 131832209 - --
[3-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propoxy]sulfonic acid 320.0565883 1.2289 M+Na-2H 131835008 - --
[3-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 350.0096381 7.6856 M-H 131837293 - --
[3-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 352.0252882 4.8285 M-H 131837302 - --
[3-(4-{5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)phenyl]oxidanesulfonic acid 968.2138769 6.1868 M-H 131832121 - --
[3-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 500.0624616 3.3566 M-H-C2H4 131836797 - --
[3-(3,5-dihydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 380.0202028 4.7975 M-H 131837644 - --
[3-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 366.0045527 5.7062 M-H 131831801 - --
[3-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 381.9994674 1.122 M+CH3COO 131831843 - --
[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene][(6-{[6-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-4,5-dihydroxy-2-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-oxo-5H-chromen-3-yl]oxy}oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl]oxidanium 949.2402484 5.5203 M+Cl 131831657 - --
[3-(2H-1,3-benzodioxol-5-yl)-1-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid 420.0515029 1.6199 M-H 131835646 - --
[3,5-dihydroxy-2-(5-hydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid 510.083197 1.8737 M+CH3COO 131833536 - --
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-aminobenzoate 299.100502 3.8021 M-H 21186858 - --
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 15-(5,6-dihydroxy-6-methylheptan-2-yl)-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate 668.413563 10.1438 M-H 45359628 - --
[3,4,5-Trihydroxy-6-(2,4,6-trihydroxyphenyl)oxan-2-yl]methyl hydrogen sulate 368.0413322 2.1345 M-H 131836728 - --
[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate 786.0915728 7.8836 M-H 5153915 - --
[2-methoxy-4-(3,5,7-trihydroxy-5H-chromen-2-yl)phenyl]oxidanesulfonic acid 381.0280278 2.7778 M-H 131834475 - --
[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate 464.0083175 4.077 M-H-CO 131834177 - --
[2-hydroxy-6-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid 290.0460236 2.5789 M-H 131839214 - --
[2-hydroxy-6-(3-methylbut-2-en-1-yl)-4-{1-oxo-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-2-yl}phenyl]oxidanesulfonic acid 506.1610534 8.065 M-H 131838454 - --
[2-hydroxy-5-(3,5,6,7-tetrahydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid 397.994382 0.6435 2M-2H+Na 131834511 - --
[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 519.3324902 8.1553 M+CH3COO 11988421 - --
[2-hydroxy-3-(7-hydroxy-4-oxo-4H-chromen-2-yl)-6-methoxyphenyl]oxidanesulfonic acid 380.0202028 4.4132 M-H 131837257 - --
[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid 244.0041588 3.5262 M-H 131837810 - --
[2-hydroxy-1-(7-hydroxy-1-oxo-1H-isochromen-3-yl)butoxy]sulfonic acid 330.0409382 6.0785 M-H 131836276 - --
[2-[[[[4-[[3-(2-Acetylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] phosphate 805.0944746 2.0673 M+Cl 25244586 - --
[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 962.2692029 4.1684 M-H-CO 75536025 - --
[2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 948.2535528 8.8721 M-H-H2O 75536024 - --
[2-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl] hydrogen sulate 524.0624616 0.7852 M-H+HCOOH 131833696 - --
[2-[10-[2,2-Dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxopyrano[3,2-g]chromen-5-yl]oxy-2,2-dimethyl-5-(2-methylbut-3-en-2-yloxy)-8-oxopyrano[3,2-g]chromen-7-yl]-2-methylbut-3-enyl] hydrogen sulate 854.3335982 5.551 M-H 131837003 - --
[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 936.5810224 11.0841 M+Cl 25244265 - --
[2-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-4-(hydroxymethyl)oxolan-3-yl]oxidanesulfonic acid 630.1254558 4.8285 M+K-2H 131831506 - --
[2-(methoxymethyl)-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 398.067153 3.588 2M-H 131834202 - --
[2-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate 498.083197 5.138 M+CH3COO 131831379 - --
[2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid 384.0151174 0.5976 M+CH3COO 131831796 - --
[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl]-7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid 914.1728 7.8836 M-H 131838669 - --
[2-(3,4-Dihydroxy-5-sulfooxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] 3,4,5-trihydroxybenzoate 550.0053406 1.6584 M-H-CH4 5319983 - --
[2,6-dihydroxy-4-(7-methyl-11-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(12),3,5(13),6,9-pentaen-3-yl)phenoxy]dihydroxyoxo-lambdasulfanylium 582.0679409 0.738 M-H - - --
[2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(3-phenylpropanoyloxy)phenyl] (3S)-3-acetyloxybutanoate 586.1838974 3.0054 M+Cl 10438307 - --
[2,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate 484.0853055 3.3719 M+K-2H 14213991 - --
[2,4-dihydroxy-3-[(E)-3-methylbut-1-enyl]phenyl]-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]methanone 516.2148035 0.7852 M-H 131832866 - --
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 15-(3-methyl-5-pentylfuran-2-yl)pentadecanoate 760.673347 6.9558 M-2H+Na 131819654 - --
[1-(4-hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)propoxy]sulfonic acid 420.124274 6.7108 M-H 131832373 - --
[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropoxy]sulfonic acid 420.0515029 4.813 2M-H 131835644 - --
[1-(2,4-dichlorobenzyl)-2-methyl-1H-indol-3-yl]methanol 319.0530696 9.0547 M-2H+Na 11726946 - --
[(E)-[4-hydroxy-1-[4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate 376.0372123 1.1981 M-2H+K 25245521 - --
[(E)-4-[2-(2,4-dihydroxyphenyl)-3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-4-oxochromen-6-yl]-2-methylbut-2-enyl] hydrogen sulate 586.1872682 3.6798 M-H-C4H8 131835972 - --
[(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate 683.2941761 8.158 M-H-HCOOH 11954039 - --
[(6-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid 658.1203705 1.3901 M-2H+Na 131833412 - --
[(6-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl}-3,4,5-trihydroxyoxan-2-yl)methoxy]sulfonic acid 660.1360205 3.5726 M-H 131833257 - --
[(5-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy]sulfonic acid 500.0624616 3.3666 M-H 131836798 - --
[(3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 655.1662955 0.7989 M+Cl+HCOOH 44256989 - --
[(3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] icosanoate 736.673347 5.7375 M+Cl 11170111 - --
[(3S,4R,5R)-3,4-dihydroxy-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3,4,5-trimethoxybenzoate 626.2210708 4.7821 M-H+HCOOH 21579202 - --
[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 326.1001677 3.0207 M+Cl 14034265 - --
[(3,4,5-trihydroxy-6-{5-hydroxy-7-methoxy-4-oxo-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl}oxan-2-yl)methoxy]sulfonic acid 672.1360205 5.4154 M-H 131833465 - --
[(3,4,5-trihydroxy-6-{2,4,6-trihydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxan-2-yl)methoxy]sulfonic acid 516.0937617 3.1881 M-H 131836737 - --
[(3,4,5-trihydroxy-6-{1,2,6-trihydroxy-3-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-oxocyclohexa-2,5-dien-1-yl}oxan-2-yl)methoxy]sulfonic acid 546.0890703 3.5726 M+Cl 131834618 - --
[(2S,4R,5R,5aS,6S,8S,9R,9aR,10S,10aS)-4,5,6,8-tetraacetyloxy-2,10-dihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-1,2,4,5,6,7,8,9,9a,10-decahydrobenzo[f]azulen-9-yl]methyl acetate 612.2781917 9.2398 M+Cl+NaCOOH 5321673 - --
[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,10,12-tetrahydroxy-3-(1-hydroxyethyl)-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]azanium 516.1869714 2.4113 M-H+Cl 71728447 - --
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate 642.3251419 8.3079 M+Cl 125153 - --
[(2S,3R,4S,5S,6R)-2-[[(3S,4R)-4-ethenyl-8-oxo-4,6-dihydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate 584.1529912 5.0139 M-H-C2H4 10745867 - --
[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate 584.1166057 4.4132 M-H-CH2 10929956 - --
[(2S,3R,4S,5R,6S)-6-[2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate 520.121691 3.418 M-H-COCH2 23955895 - --
[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-2-[2,3-dihydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]-4,5-dihydroxyoxan-3-yl] 3,4,5-trihydroxybenzoate 659.1248247 3.5726 M+Cl 5316499 - --
[(2S,3R,4S,5R,6R)-5-hydroxy-2,4-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate 860.1283522 7.7161 M-H 51136571 - --
[(2S,3R,4S,5R,6R)-2-[2,3-dihydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate 617.11426 9.9539 M-H-CH3 5316500 - --
[(2S,3R,4R,5S,6S)-2-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl] 2-methoxybenzoate 566.1424265 7.5794 M-H 10816811 - --
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 670.2109 2.3649 M-H-H2O 14263156 - --
[(2S,3R)-4-[[[(3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-1,3-dihydroxy-2-methylbutan-2-yl] phosphate 597.0162075 2.839 M-H 25244700 - --
[(2R,4R,5R,6S)-4-azaniumyl-5-hydroxy-6-methyloxan-2-yl] [[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate 530.0940871 1.812 M-H-CO 46173117 - --
[(2R,3S,6R)-6-[[(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-14-methyl-13,21-dioxo-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-dien-15-yl]oxy]-2-methyloxan-3-yl]-dimethylazanium 732.4686726 6.0088 M+Cl 90657828 - --
[(2R,3S,6R)-5-amino-3-hydroxy-6-methyl-3,6-dihydro-2H-pyran-2-yl] [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate 568.072009 2.816 M+Cl 90658765 - --
[(2R,3S,4S,5R,6S)-6-[4-[6-[4-[(2S,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3-methoxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate 766.268415 4.3668 M+Cl 45783136 - --
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate 588.1479058 4.1381 M-H 24039364 - --
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[3,7,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-5-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetate 682.1745145 2.7472 M+Cl 45783162 - --
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate 562.1897706 0.6588 M+Cl 6326017 - --
[(2R,3S,4S,5R)-6-[2-[3,4-dihydroxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-oxo-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 950.2328174 2.5036 M-2H+Na 25245657 - --
[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentyl] phosphate 510.162799 3.7257 M-H+HCOOH 90657326 - --
[(2R,3S,4R,5R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoate 598.2050268 2.3804 M-H-CO 45360132 - --
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-[2-[2-(methylamino)benzoyl]sulfanylethylamino]-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate 896.1366738 4.4746 M-H-C6H10O4 25200447 - --
[(2R,3S,4R,5R)-5-(5,6-dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate 356.077338 2.2346 M-H+NaCOOH 25244046 - --
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate 346.0314504 5.7918 2M-2H+K 7140378 - --
[(2R,3S)-5,7-diacetyloxy-2-(3,4,5-triacetyloxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate 558.1373411 3.1881 M+Cl+NaCOOH 5317460 - --
[(2R,3R,4S,5S)-3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate 956.2738943 8.8449 M-H 23757222 - --
[(2R,3R)-5,7-dihydroxy-2-(2,3,4,5-tetrahydroxy-6-oxobenzo[7]annulen-8-yl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 552.0903909 2.8237 M-H 467319 - --
[(2R,3R)-2-[2-[6-[5,7-dihydroxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2,3,4-trihydroxyphenyl]-3,4,5-trihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate 936.1596524 6.9099 M-H 15673894 - --
[(2R)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 824.689391 4.813 M-H-C6H10O5 53480527 - --
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltetracosanoate 806.6036863 0.7061 M-H 131823274 - --
[(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-pentadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate 816.7206911 4.6438 M-H+CF3COOH 53481038 - --
[(1S,5R,6R,7S,9R)-7-benzoyloxy-2,6,10,10-tetramethyl-4-oxo-11-oxatricyclo[7.2.1.01,6]dodec-2-en-5-yl] furan-3-carboxylate 464.1835034 9.6382 3M-H+Cl 100614969 - --
[(1S,4R,5R,6S,8R,10S,11S,12R,15R,19S,21R)-4-acetyloxy-6-(furan-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate 574.2414123 2.1042 M-2H+Na 44715621 - --
[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] hexanoate 708.3357066 9.6988 M-H 5321431 - --
[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-2,4,12-triacetyloxy-1,9,11-trihydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] acetate 568.251977 10.8997 M-H-C3H2O3 5316344 - --
[(1S,2R,5S,6S,7S,8R,9R,12R)-12-acetyloxy-7,8-dibenzoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate 640.2672331 4.49 M-H-H2O 122187055 - --
[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl(3-methylbutanoyl)amino]propanoate 733.3341228 3.5571 M-2H+Na 6325605 - --
[(1S,2R,3S,4S,5R,6S)-2,4-bis(diaminomethylideneazaniumyl)-5-[(3R,4R,5S)-3-[(3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylazaniumyl)oxan-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy-3,6-dihydroxycyclohexyl] phosphate 664.255476 2.7778 M-H 25244637 - --
[(1S)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxo-1-phenylpropyl]azanium 915.191449 3.8479 M+Cl 50986118 - --
[(1R,2S,3S,4R,7S,8R,9R,10S,12R,13S,14R,15R,18R)-2,9-diacetyloxy-14-chloro-13-(hydroxymethyl)-8,18-dimethyl-17-oxospiro[11,16,19-trioxapentacyclo[11.5.1.01,15.03,8.010,12]nonadecane-4,2'-oxirane]-7-yl] acetate 572.1660544 8.9626 M+Cl+HCOOH 21575964 - --
[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl hydrogen sulfate 500.1352326 1.122 M-H 10075429 - --
[(1R,2R,6S,9R,11R,12S,13S,15R,17S,18R,19R,20R)-19-acetyloxy-17-(furan-3-yl)-20-hydroxy-8,8,12,18-tetramethyl-4-oxo-7,14-dioxahexacyclo[10.8.0.02,6.02,9.013,15.013,18]icosan-11-yl] acetate 542.251583 3.3107 M-H-H2O 12116649 - --
[(1R,2R,3R,4R,5S,7S,8S,9R,10R,13S)-5,7,9,10,13-pentaacetyloxy-2-hydroxy-8,12,15,15-tetramethyl-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl acetate 638.2938418 7.4587 M+Cl 5321674 - --
[(1R,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate 409.1525376 9.5464 M+Cl 71307554 - --
[(1'R,2S,2'R,3'R,5'S,8'R,9'R,10'R,13'S)-2',10',13'-triacetyloxy-5'-[(3R)-3-(dimethylamino)-3-phenylpropanoyl]oxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-9'-yl] pyridine-3-carboxylate 774.3727608 8.3534 M-H-CO2 5320135 - --
Zeanoside B 367.0903313 2.0741 M-H 13988327 - --
Yuccaol A 496.1158177 1.982 M-H 131752044 - --
Xanthosine 5'-triphosphate 523.974677 1.52 M-H 91746177 - --
Wuweizisu C 384.1572886 8.9779 M-H-C3H2O3 119112 - --
Vitexin 432.105647 3.4025 M-H2O-H 5280441 C01460 ko00941,ko00944
Violanthin 578.1635559 2.9143 M+F 442665 C10196 --
Victorin C 816.2088437 2.9751 M-H 21549934 - --
Valorphin 892.4330697 7.4512 M-H 10485896 - --
Val-Tyr-Glu-Lys 537.2798634 8.3382 M-H - - --
Val-Thr-Phe-Glu-Ser 581.2696927 8.095 M+Cl - - --
Val-Thr-Ile-Asp 446.2376642 2.839 M-H - - --
Val-Leu-Ser-Asp 432.2220142 4.5978 M+Cl - - --
Val-Ala-Val-His-Val 523.3118322 8.095 M+Cl - - --
Ustin II 394.0374792 6.001 M-H 45359321 - --
Urolithin B 3-O-glucuronide 388.0794322 3.9236 M+Na-2H 101495881 - --
Urolithin A-3-O-glucuronide 404.0743469 3.3566 M-H+NH3 124202090 - --
Uridine-5'-diphosphogalactose disodium salt 566.0550216 0.8766 M-H+CH3CN 23724458 C00052 ko00052,ko00520,ko01100,ko01250
Uridine-5'-aldehyde 242.0538861 6.4348 M-H2O-H 53792010 C21079 --
Uridine, 5-bromo-2'-deoxy- 305.9851326 0.6745 M+NH4-2H 236184 - --
Uridine 5'-diphosphoglucose 566.0550216 0.8461 M+Cl+NH3 53477679 - --
Unii-YU544603T7 536.2046328 3.3719 M-H 46173976 C17684 --
UDP-N-acetyl-beta-L-fucosamine 591.086656 8.5518 M+Cl+NH3 53239774 C20774 ko01100,ko01250
UDP-N-acetyl-alpha-D-mannosaminouronate(3-) 618.0373601 5.138 M+Cl 25246192 - --
UDP-GlcNAc-pyruvate enol ether 674.0635749 0.8766 M+Cl 25244881 - --
UDP-D-galactose 566.0550216 0.6745 M-H 6857410 - --
UDP-D-galactofuranose 566.0550216 1.1524 M-H2O-H 11966195 - --
UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine(1-) 589.0948154 1.3978 M-H+CF3COOH 44123408 - --
UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine(1-) 790.2564611 4.3206 M-H 25244806 - --
UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine 831.2592008 6.5882 M-H-CH3 25244942 - --
UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose(2-) 587.0553559 3.3566 M-H+NH3 44123292 - --
Tyrosylasparagine 295.1168208 4.6596 M-H 18218251 - --
TyrMe-TyrMe-OH 494.168916 5.7918 M-H - - --
TyrMe-Tyr-OH 480.1532659 1.7658 M+CH3COO - - --
TyrMe-Phe4Cl-OH 498.1193789 9.0702 M-H - - --
TyrMe-Nap-OH 514.1740013 4.906 M-H - - --
TyrMe-Met-OH 448.130422 8.4475 M+Na-2H - - --
TyrMe-His-OH 454.1488492 7.4287 M-H - - --
TyrMe-Asp-OH 432.1168804 7.3069 M+CH3COO - - --
Tyr-TyrMe-OH 480.1532659 11.0688 M- - - --
Tyr-Pro 278.1266572 1.9047 M+Cl 11902950 - --
Tyr-Phe4Cl-OH 484.1037289 8.9626 M-H - - --
Tyr-Phe-Thr-Lys 557.2849488 8.627 M+CH3COO - - --
Tyr-Phe-Met-Arg-Phe-NH2 761.3683013 7.4587 M-H-COCH2 90477947 - --
Tyr-Phe-His-Glu 594.2438122 2.2423 M+Cl - - --
Tyr-Nap-OH 500.1583513 9.6229 M-H - - --
Tyr-Met-Trp 498.1936909 1.951 M-H 71472095 - --
Tyr-Met-OH 434.1147719 3.2377 M-H - - --
Tyr-Leu-Glu-Arg 579.3016615 5.5203 M+Cl - - --
Tyr-HoPhe-OH 464.1583513 5.4441 M+Cl - - --
Tyr-His-Phe-Lys 593.2961822 2.9751 M+Cl+NaCOOH - - --
Tyr-Glu-Asp-Tyr-Val 687.275172 3.3949 M+Cl+NaCOOH - - --
Tyr-Glu-Asp 425.1434295 5.0295 2M-2H+Na 44412303 - --
Tyr-Gln-Asn-Glu 552.2179914 3.4798 M-H - - --
Tyr-Abu-OH 388.1270511 8.9779 M-H - - --
Tumonoic acid I 497.3352531 8.8264 M+Cl 25058102 - --
Tumonoic acid G 469.3039529 6.1868 M-H 25058104 - --
Tuliposide B 294.0950823 4.9136 3M-2H+K 441643 C08570 --
Trypanothione(1+) 724.3122055 2.4268 M+Cl+CF3COOH 49852324 - --
Trp-Val-Asn 417.2012191 1.9047 M-H 44347795 - --
Trp-Trp-Val 489.2376046 1.9665 M-H 138911105 - --
Trp-Trp-Asp 505.1961337 4.2437 M+Cl 145458508 - --
Trp-Met-Ile 448.2144263 1.858 M-H 11976249 - --
Trp-HoPhe-OH 487.1743357 2.0891 M-H - - --
Trp-Gln-Gln-Asp-Glu 704.276569 6.7108 M-H - - --
Trp-Asn 318.1328052 9.9989 M-H 7020170 - --
Tris(2-butoxyethyl) phosphate 398.2433408 11.3602 M+Cl+CF3COOH 6540 C14446 --
Trifolirhizin 446.1212971 5.5663 M-H 442827 C10538 ko00943
Triclocarban 313.9780461 1.1373 M-H 7547 - --
Tricin-7-O-(2''-Sinapoyl)glucoside 698.1846853 10.8688 M-H - - --
Tricin-4'-O-rutinoside-7-O-rutinoside 946.2954176 6.7108 M-H - - --
Tricin-4'-O-eudesmic acid 524.1318618 1.835 M-H - - --
Transfluthrin 370.015048 1.7811 M-H-H2O 86352 - --
Tramiprosate 139.0303139 0.2665 2M-2H+Na 1646 C03349 --
Toyocamycin phosphate 369.0474348 3.2954 M+Cl 52940215 - --
Torvanol A 452.0777177 5.6438 M-H+NaCOOH 5321987 - --
Torin 1 607.2195099 7.4887 M-H-C4H8 49836027 - --
Toddaliopsin B 357.1212374 6.0785 M-H+CF3COOH 11515966 - --
Thymidine 5'-triphosphate(4-) 477.9579643 1.1052 M-H+NH3 11988283 - --
Threonyltryptophylarginine 461.2386672 6.2796 M-H-H2O 18224501 - --
Threoninyl-Cysteine 222.0674277 1.858 2M-H 18218245 - --
Thr-Val-Leu-Arg 487.3118322 5.383 M-H - - --
Thr-TyrMe-OH 418.1376158 5.138 M+Cl - - --
Thr-Tyr-His-Asp 534.2074267 4.0924 M-H - - --
Thr-Thr 220.1059217 1.5968 M-H 11321969 - --
Thr-Phe4Cl-OH 422.0880788 3.234 2M-H - - --
Thr-Lys-Gln-Lys 503.3067469 4.6132 M-H - - --
Thr-Leu-Val-Arg 487.3118322 5.3754 M-2H+Na - - --
Thr-Ile-Glu-Ile-Ile 587.3530284 9.4544 M+Cl - - --
Thr-Glu-Lys-Asp-Glu 620.2653356 8.6423 M-2H+Na - - --
Thr-Glu-Arg-Glu 533.2445405 8.7345 M-H - - --
Thr-Arg-Gln-Glu 532.2605249 3.2646 M+Cl - - --
Thioinosinic acid 364.0242566 1.1373 M-H+CH3CN 3034391 C04646 --
Thioctic acid 206.0435212 6.3417 2M-H 864 C00725 --
ThioFluor 623 678.1744121 7.0926 M-H 88590000 - --
Thermozeaxanthin-17 982.7261705 4.5053 M-H 23724619 - --
Thermocryptoxanthin-15 938.6999557 4.2807 M-H 23724616 - --
Thelephantin J 534.1314678 8.9321 M-H 21577382 - --
Thelehantin H 578.1212971 7.8411 M-H+HCOOH 101260624 - --
Theaflavin monogallates 716.1377351 4.8751 M-H 169167 - --
Theaflavate B 700.1428204 2.8839 M-H 131751365 - --
Tetrahydrothiophene-3-ol 1,1-dioxide 136.0194149 1.4433 3M-H 98932 - --
Tetracaine 264.1837781 10.4049 M-H+HCOOH 5411 C07526 --
Terrestrin F 618.1525972 4.8285 M-H-C4H8 101743855 - --
Ternatin C5 875.2093423 4.6441 M+Cl+NH3 10843319 - --
Terasil Red 4GN 403.0425217 1.1981 M+Cl - - --
Terasil Red 3BL 439.1491835 10.3824 M-H - - --
Tenuiphenone B 570.1584705 4.8906 M+Cl+HCOOH 11642656 - --
Tazemetostat 572.3362561 10.2361 M-H+HCOOH 66558664 - --
Tazarotenic acid 323.0979996 3.234 M-H 147525 - --
Taxinin M 686.2574563 4.4438 M+Cl 15226201 - --
Taxifolin 3-arabinoside 436.1005616 5.9881 2M-H 131753138 - --
Taltrimide 296.0830778 3.2034 3M-H 71248 - --
Tacedinaline 269.1164268 6.7721 M+Cl 2746 - --
TRH,free acid 363.1542689 1.2896 M+Cl+NaCOOH 6427034 - --
TG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:3(9Z,12Z,15Z)) 924.7206911 4.8237 M-H 9545354 - --
TG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) 942.8040269 0.6982 M-H-C3H2O3 131762121 - --
TG(20:2n6/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 902.7363412 5.1615 M+Cl 9544755 - --
TG(20:0/24:0/o-18:0) 988.9761776 0.8766 M-H 131756643 - --
TG(20:0/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 906.7676414 0.738 M-2H+K 9544615 - --
TG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 872.689391 3.4953 M+Cl+HCOOH 5462874 - --
TG(18:0/14:0/18:0) 834.7676414 3.1729 M+Cl 545588 - --
TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 896.689391 4.5823 M-H 9544980 - --
TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 844.6580909 0.6903 M+Cl+NH3 56936786 - --
TG(16:0/15:0/14:1(9Z)) 762.6737409 7.0775 M-H+CF3COOH 56938362 - --
TG(15:0/20:0/22:2(13Z,16Z)) 928.8458917 0.745 M-H-CO 131754223 - --
TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 886.7050411 4.077 M-H-C6H10O4 56939001 - --
TG(15:0/16:1(9Z)/22:2(13Z,16Z)) 870.7676414 0.7138 M-H-C5H8O4 56938837 - --
TG(15:0/16:0/20:4(5Z,8Z,11Z,14Z)) 840.7206911 3.4798 M+Cl 53481034 - --
TG(14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0) 862.7414266 0.7061 M-H+NaCOOH 131759231 - --
TG(14:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) 810.6737409 3.4334 M-H-CO 56938379 - --
TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 870.6737409 4.0155 M-H-C6H8O6 56936598 - --
TG(14:0/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) 838.7050411 3.5184 M-H+CF3COOH 56937982 - --
TG(14:0/14:0/18:3(9Z,12Z,15Z)) 772.6580909 6.125 M-H 56936561 - --
TG(14:0/14:0/16:1(9Z)) 748.6580909 4.9984 M-H 56936554 - --
TG(14:0/13:0/13:0) 694.6111407 4.1076 M-H 56936489 - --
TDP-2-deoxy-5-keto-dihydrostreptose 543.0417172 2.059 M-2H+Na 122706407 - --
Syringin 4-glucoside 534.194856 2.9449 M+Cl 10578229 - --
Swertianolin 436.1005616 7.3835 M-H2O-H 5281662 - --
Suprofen S-oxide 276.0456296 3.9389 2M+Cl 131769993 - --
Sulfanilamide, N1-(5-methyl-1,3,4-thiadiazol-2-yl)- 270.024517 3.6186 M-H 622973 - --
Sulfamethoxazole N1-Glucuronide 429.0842 7.4437 M-H 75213081 - --
Suffruticoside D 612.1690352 3.0207 M-H 5321547 - --
Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) 694.2109 3.5262 M-H2O-H 131752122 - --
Strictosamide ketolactam 530.1900454 3.0666 M-H+CH3CN 134820098 - --
Starch acetate 306.0950823 6.5116 M+K-2H 19958317 - --
Spinosyn P 703.4295474 9.3701 M-H 23724549 - --
Sophoraflavonoloside 610.1533851 8.0349 M-H 5282155 C12634 ko00944,ko01110
Siroheme amide 908.1714801 3.5726 M+Cl 91820495 - --
Siroamide 854.2520909 6.5728 M+Cl 90657931 - --
Siphonol E 736.2731064 4.2284 M-H 10963687 - --
Silicic acid 95.98788576 1.0911 M-H - - --
Sialylated tetraose type 1 836.2910009 0.8003 M-H+CF3COOH - - --
Serylcysteyllysine 336.1467407 2.6406 M-H 18223871 - --
Ser-Val-Gln-Glu 461.2121778 0.7697 M+Cl - - --
Ser-Thr-Ile-Thr-Ser 507.2540426 7.5643 M+Cl+NH3 - - --
Ser-Thr-Arg 362.1913827 10.2592 M-H+HCOOH 9885310 - --
Ser-Phe4Cl-OH 408.0724287 3.0054 M-H - - --
Ser-Nap-OH 424.1270511 8.4327 M+CH3COO - - --
Ser-Lys-Thr-Glu 463.2278278 4.3206 M+Cl - - --
Ser-His-Trp 428.180818 1.812 M+Cl 145457771 - --
Ser-Glu-Glu 363.1277794 7.3717 2M-2H+Na 13918620 - --
Ser-Gln-Leu-Lys 474.2801978 0.3241 M-H - - --
Ser-Cys-Cys 311.0609622 1.3824 M-H 145457704 - --
Ser-Asp-Thr-Glu 450.1598078 5.97 M-H - - --
Ser-Asn-Tyr 382.1488492 7.169 M+Cl 13071919 - --
Ser-Arg-Glu-Val-Ser 576.2867397 3.2579 M+Cl - - --
Ser-Abu-OH 312.095751 1.3824 2M-H - - --
Septacidin 621.3849972 5.8926 M-H 494023 C15751 --
Selinexor 443.0929273 2.0437 2M-H 71481097 - --
Selenodiglutathione(2-) 690.05287 0.8155 M-H+NH3 70679037 - --
Selenodiglutathione 692.0685205 4.1066 M-H 108069 C18870 ko00450
Sedoheptulose 1-phosphate 290.0402838 8.065 M-H+CH3CN 16070031 C06222 --
Scutellarein 6-xyloside 418.0899969 3.9541 2M-H 44258420 - --
Scoparin 462.1162117 3.7716 2M-H 5383409 - --
Scleroglucan 714.1901181 6.8181 M-H 131750928 - --
Scillaren A 692.340792 3.5416 M-H 441870 C08879 --
Scandinone 418.1780241 10.6081 M-H-CH2 634141 - --
Salvianolic acid G 340.0583028 4.336 M+CH3COO 11530200 - --
Salipurposid 434.1212971 4.1533 M-H 5321085 - --
Salicin 6-phosphate 366.071584 1.8426 M+Cl 440938 C06188 ko00010
Sakambullin 353.1296937 5.49 2M-2H+K 101059288 - --
S-methyl-5-thio-D-ribofuranose 180.0456296 2.0284 M-H+CH3CN 10313378 C03089 ko00270,ko01100
S-glutathionyl-TriCH 517.9774646 1.52 M+Cl 126961136 - --
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-(4-hydroxyphenyl)prop-2-enethioate 913.1519895 6.7108 M+Cl+NH3 324 - --
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carbothioate 934.2098388 2.0284 M+Cl 71448901 - --
S-Glutathionyl-L-cysteine 426.0879052 2.96 M-H2O-H 10455148 C05526 ko00270,ko01100
S-Formylmycothiol 514.1468599 6.4425 M+2Cl 11953886 C06718 --
S-(PGA1)-glutathione 643.3138657 8.7498 M-H 5281898 C11304 --
S-(Hydroxymethyl)mycothiol 516.16251 1.9047 M+Cl 49787034 C18235 --
S-(1-hydroxy-2-methylbut-3-en-2-yl)glutathione 391.141321 9.0855 M+Cl 118987346 C21374 --
S-(1,2-Dichlorovinyl)glutathione 401.0215115 4.7744 M-H-HCOOH 6437359 C14868 --
Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside] 758.2269441 4.1833 M+Cl 85229275 - --
Rotenonic acid 396.1572886 2.8237 M+CH3COO 6708539 - --
Rot-2'-enonate 395.1494636 3.326 M-H-C2H4 25201136 - --
Rolinose 350.1940681 3.3413 M-H 5317259 - --
Ritipenem acoxil hydrate 378.073301 3.1501 3M-2H 11954024 - --
Riesling acetal 226.1568947 5.753 M+NH4-2H 57473083 - --
Ridiculuflavone B 568.1005616 8.5518 M-H+NaCOOH 21580526 - --
Ridiculuflavone A 554.0849116 3.8933 M+Cl 21580525 - --
Rheidin A 524.1107324 8.5518 M-H 5320957 - --
Resolvin D1 376.2249743 8.4144 M-H 16061135 - --
Repaglinide aromatic amine 384.2049075 3.3107 M-H2O-H 57826284 - --
RNA (poly(U)) 856.1201411 8.0045 M-2H+Na 439261 C00549 --
RNA (poly(C)) 853.1680943 3.8632 M+Cl+HCOOH 439643 C02072 --
R788 disodium 624.1121771 2.96 M-H-H2O 25008120 C71107 --
Quercetin-3-gentiotetraside 950.2539468 5.5203 M-H+HCOOH 90657568 - --
Quercetin-3-O-sophorotrioside-7-O-arabinoside 920.2433821 3.6951 M-H - - --
Quercetin-3-O-(6''-sinapoyl)glucoside-7-O-(6''-malonyl)glucoside 918.2066026 3.2187 2M-3H - - --
Quercetin-3-O-(2''-malonyl)sophoroside-7-O-arabinoside 844.1909525 2.5036 M-2H+Na - - --
Quercetin-3'-glucuronide 478.0747408 4.1833 M+CH3COO 11655911 - --
Quercetin 7-xyloside 434.0849116 4.1684 M+NH4-2H 44259223 - --
Quercetin 7-methyl ether 3,3'-disulfate 475.971932 1.6891 M-H 44259605 - --
Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside 566.1271704 3.2801 2M-H+Cl 44259231 - --
Quercetin 3-O-(6''-acetyl-glucoside) 506.106041 4.2284 M-H 10006384 - --
Quercetin 3-(3'',6''-di-p-coumarylglucoside) 756.1690352 5.784 M+CH3COO 44259194 - --
Pyrochlorophyllide 556.2324833 11.3943 M-H 13132966 C18157 ko00860,ko01110
Pteridine 132.0435961 1.835 3M-H 1043 C07581 --
PtdIns-(5)-P1(1,2-dihexanoyl)(sodium salt) 610.1791595 1.4281 M+Cl - - --
PtdIns-(4,5)-P2(1,2-dihexanoyl) 690.1454904 2.1269 M+CH3COO 10168883 - --
PtdIns-(4)-P1(1,2-dihexanoyl) 610.1791595 3.418 M+Cl 53394541 - --
PtdIns-(4)-P1 (1,2-dihexanoyl) 610.1791595 1.3364 M-H2O-H 53394541 - --
PtdIns-(3,4,5)-P3(1,2-dioctanoyl) 826.1744216 3.3413 M-H 53394550 - --
PtdIns-(3,4)-P2(1,2-dihexanoyl) 690.1454904 3.5878 M-H 57347691 - --
Psychosine sulfate 541.2920676 8.3382 M+Cl 5280538 C02744 --
Protodeoxyviolaceinate 340.1086018 5.0448 2M-H+Cl 90657759 - --
Protein Kinase Cε Translo Inhibitor Peptide,Negative Control 843.4701835 8.3231 M-H+NaCOOH - - --
Prolylthreonylarginine 372.2121181 4.3977 M-H 18223708 - --
Prodelphinidin A1 608.1166057 5.551 M-H 14521015 - --
Procymidone 283.0166841 1.3671 M-H 36242 C10986 --
Procyanidin A1 576.1267764 3.8933 M- 5089889 - --
Pro-Val-Thr 315.179421 1.9357 M-H+HCOOH 9901447 - --
Pro-Val-Glu-Thr-Leu 557.3060782 2.4268 M-H - - --
Pro-His-Val 351.1906544 2.0129 M+Cl+NaCOOH 7408607 - --
Pro-Glu-Arg-Val-Lys 627.3704098 4.3668 M+Cl - - --
Pro-Gln-Gly 300.1433699 1.2519 M+Cl+HCOOH 9922356 - --
Pro-Asp-Gln 358.1488492 4.6205 3M+2Cl 9924940 - --
Pretyrosine 227.0793726 1.9357 M-H2O-H 439319 C00826 ko00400,ko01100,ko01110,ko01230
Premithramycinone 414.0950823 4.813 M+CH3COO 443795 C12383 ko01100,ko01110
Premithramycin A3 832.3153652 8.5968 M+Cl 443799 C12387 ko01100,ko01110
Pregnenolone sulfate 396.197045 9.4084 M-H 105074 C18044 ko01100
Precorrin-4 908.3327465 2.7625 M-H-C5H8O4 5280930 C06407 ko00860,ko01100,ko01240
Precorrin-1 850.2908817 3.3616 M+Cl 11954200 - --
Pirinixic Acid Aminothiazole 512.1107453 3.7716 M-H-CO 72735056 - --
Piperonoyl-essigsaure 208.0371734 3.2493 M+Cl 18417409 - --
Pinocembrin 7-Apiosyl-(1->5)-Apiosyl-(1->2)-Glucoside 682.2109 8.1415 M+Cl+HCOOH 42607862 - --
Piloside B 644.19525 9.0086 M-H-COCH2 10746751 - --
Physalin I 558.2101121 6.3107 M-H 131751562 - --
Phosphonemycin 137.0003707 0.8003 M+Cl+HCOOH 25244760 - --
Phosphinomethylmalate 207.9772896 0.754 M-H-CH3 45479490 - --
Phosphatidylinositol-3,4,5-trisphosphate 643.9709707 0.9685 M-H+CF3COOH 53477782 - --
Phophatidylethanolamine(48:2) 911.7343066 4.513 M-H 53480045 - --
Phloretin-4'-O-(6''-Feruloyl)glucoside 612.1842913 4.9673 M-H+HCOOH - - --
Phlomuroside 388.2097182 3.5016 M+Cl 637144 - --
Phenylbutyrylglutamine 292.1423072 1.6782 M+K-2H 9943917 - --
Phenylalanylphenylalanyllysine 440.2423556 8.2773 M-H-C6H10O5 21983474 - --
Phenylalanylalanylarginine 392.2172035 7.032 M+Cl 4556905 - --
Phenol glucuronide 270.0739529 9.8789 2M-H 87235 - --
Phe4Cl-Val-OH 406.0931642 3.8021 M+HCOO - - --
Phe4Cl-TyrMe-OH 484.1037289 6.5116 M-H - - --
Phe4Cl-Tyr-OH 470.0880788 4.3051 M-H - - --
Phe4Cl-Trp-OH 493.1040632 9.744 M+NH4-2H - - --
Phe4Cl-Thr-OH 408.0724287 4.077 M-H - - --
Phe4Cl-Ser-OH 394.0567787 1.0298 M+Cl - - --
Phe4Cl-Phe4Cl-OH 488.0541919 0.5976 M-H - - --
Phe4Cl-Met-OH 438.0652349 2.4732 M-H - - --
Phe4Cl-Leu-OH 420.1088142 4.3051 M-H - - --
Phe4Cl-His-OH 444.0836621 1.1981 M-H - - --
Phe4Cl-Asp-OH 422.0516933 2.1422 M-H - - --
Phe4Cl-Ala-OH 378.061864 1.3901 M-H - - --
Phe4Cl-Abu-OH 392.0775141 6.7721 M-H - - --
Phe-Val-Arg-Arg 576.3496147 8.9021 M-H - - --
Phe-TyrMe-OH 450.1427012 8.9021 M-H - - --
Phe-Tyr-Val-Lys 555.3056842 11.3908 M-H - - --
Phe-Trp-Ser 438.1903201 9.8489 M-H-COCH2 44611824 - --
Phe-Thr-Tyr-Asp 544.2169288 10.7864 M-H - - --
Phe-Thr-Lys-Lys 522.3165833 8.3382 M-H - - --
Phe-Phe4Cl-OH 454.0931642 1.2289 M-H - - --
Phe-Nap-OH 470.1477866 9.6229 M-H - - --
Phe-Leu-Leu-Val-Phe 637.3839346 4.6903 M-H - - --
Phe-Gln-His 430.1964681 5.6907 2M-2H+Na 25231869 - --
Phe-Ala-His 373.1750043 3.5107 M-H+HCOOH 11222549 - --
Phaclofen 249.0321581 2.7625 2M-H 1641 - --
Petalostemumol 508.2461037 9.6458 M-H+NaCOOH 15232524 - --
Persicogenin 3'-glucoside 478.1475118 7.7464 M+Na-2H 42608083 - --
Peonidin 3-(6''-acetylglucoside) 505.1346014 8.8721 M-H+NaCOOH 44256847 - --
Penicillic acid 170.0579089 3.6492 M+F 7025 - --
Pelargonidin 3-glucoside 5-caffeoylglucoside 757.1979896 6.7951 M-H2O-H 23724735 - --
Pelargonidin 3-O-rutinoside 579.1713809 6.7721 M+F 443917 C12644 ko00942
Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) 519.113866 4.3546 M+Cl+NH3 443913 C12642 ko00942
Pelargonidin 3-(6-p-coumaroyl)glucoside 579.1502515 7.1459 M-H 23724733 - --
Patuletin 3-gentiobioside 656.1588645 4.7056 M-H 44259783 - --
Parecoxib 370.0987279 5.551 M-H 119828 - --
Pantotheine-4'-phosphate 358.0963589 1.1942 M+Cl 987 - --
Pallidol 3,3''-diglucoside 778.2472856 5.1535 M-H 131752011 - --
PS(16:1(9Z)/22:2(13Z,16Z)) 813.5519851 8.3079 M-2H+Na 52925334 - --
PLC Thio-PIP2 706.1226465 7.8226 M-H 53394559 - --
PGP(i-12:0/i-12:0) 690.3509163 6.1111 M-H 131823191 - --
PF-04418948 409.1325511 2.7545 M+Cl 25114442 - --
PE-NMe(13D5/13D5) 949.6771857 4.3051 M-H 131820908 - --
PE(DiMe(11,3)/DiMe(9,3)) 795.5050349 11.3755 M+Cl 131770146 - --
PE(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 735.4839055 9.3011 M-H 52924890 - --
PC(DiMe(11,5)/DiMe(13,5)) 950.6850107 5.1399 M-H 131770073 - --
PC(DiMe(11,3)/DiMe(13,5)) 922.6537106 0.7216 M-2H+K 131770064 - --
PC(24:1(15Z)/P-18:1(11Z)) 853.6924418 4.4132 M-H-C2H4 53479547 - --
PC(22:4(7Z,10Z,13Z,16Z)/24:0) 921.7186565 5.7375 M+Cl 53479263 - --
PC(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 827.5465058 3.1881 M+Cl 52922819 - --
PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 835.6091061 0.7141 M-H 24778871 - --
P60c-src Substrate II,Phosphorylated 748.2833081 2.2881 M+Cl - - --
P60c-src Substrate II 668.3169772 9.3778 M+Cl+HCOOH - - --
Oxyphenbutazone 324.1473926 2.2359 M-H 4641 C19494 --
OxIAA-Asp-N-Glc-Glc 628.1751832 1.6891 M-H+HCOOH 126961087 - --
Osmanthuside A 446.1576826 4.5359 M-H 101629458 - --
Osimertinib 499.2695734 8.095 M+Cl 71496458 - --
Orixine 335.1368875 2.8689 M-H-C4H8 101289701 - --
O-Core1+N 586.2221334 0.9992 M-H-C5H8O4 - - --
N~1~-Hydroxy-N~8~-(4-iodophenyl)octanediamide 390.0440406 2.7778 M+Cl 46205754 - --
Nveahdylaanzew-uhfffaoysa- 278.0096381 2.4577 M-H 21589808 - --
Novclobiocin 105 575.1558241 1.4433 M+Cl 54691346 C12472 ko01110
Notoginsenoside J 834.4976867 7.6553 M-H 85212136 - --
Norverapamil 440.2675078 8.7038 M+CH3COO 104972 - --
Norketamine 223.0763918 7.7921 3M-2H+K 123767 - --
Norfludiazepam 288.0465689 6.9558 2M-H 4540 - --
Nordihydrocapsiate 294.1831094 7.1382 M-H 9817607 - --
Niaziminin A 798.270346 4.675 M+Cl - - --
Neu5Gc2-3Gal1-4GlcSp 718.2392401 2.227 M-H - - --
Neosilyhermin A 466.1263824 2.6406 2M-H 42607997 - --
Neobignonoside 568.121691 3.4798 M- 12305632 - --
Neoagarotetraose 630.2007293 3.4676 M+Cl+NH3 54758609 - --
Naringenin-7-O--D-Glucuronide 448.1005616 5.7545 M-H2O-H - - --
Naringenin 7-0-glucoside 434.1212971 2.8084 M+Cl 282013 - --
Nap-Tyr-OH 486.1427012 8.7038 M-H - - --
Nap-Ser-OH 410.111401 7.4287 M+CH3COO - - --
Nap-Phe4Cl-OH 504.1088142 4.3977 M+HCOO - - --
Nap-Phe-OH 470.1477866 2.9903 M+CH3COO - - --
Nap-Nap-OH 520.1634366 1.52 M-H - - --
Nap-Met-OH 454.1198573 6.527 M+Na-2H - - --
Nap-HoPhe-OH 484.1634366 6.7568 M-H-C6H10O4 - - --
Nap-Gly-OH 380.1008363 2.5789 M-H - - --
Nap-Asp-OH 438.1063157 3.1766 M-H - - --
Nap-Ala-OH 394.1164864 1.9047 M-H - - --
Nap-Abu-OH 408.1321365 5.5051 M-H - - --
Nafamostat 347.1382249 2.899 M+CH3COO 4413 - --
NTP 387.9725517 11.4368 M-2H+K - - --
NSC 23766 trihydrochloride 531.2228487 3.741 M-H-CO 16759159 - --
NCGC00385486-01_C25H34O5_2-Butenoic acid, 2-methyl-, (2R,3R,5R)-2,6,6,9-tetramethyl-11-oxotricyclo[5.4.0.0~2,8~]undec-9-ene-3,5-diyl ester, (2Z,2'Z)- 414.2406243 3.741 M+Cl+NaCOOH 23928004 - --
NCGC00385325-01_C36H54O13_Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-xylo-hexopyranosyl)oxy]-14-hydroxy-19-oxo-, (3beta,5alpha,17alpha)- 694.3564421 7.4587 M+Cl 74218732 - --
NCGC00384853-01_C39H62O16_20-Oxopregn-16-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside 786.4037863 7.6325 M-H+CF3COOH 57509547 - --
NCGC00384750-01_C20H28O14_alpha-D-Glucopyranoside, beta-L-fructofuranosyl, 6-(4-hydroxy-3-methoxybenzoate) 492.1479058 1.4659 3M+2Cl 51136426 - --
NCGC00384623-01_C34H36O15_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,5,7-triyl tri(3-furoate) 684.2054207 1.5508 M-H-C2H4 57509501 - --
NCGC00384622-01_C34H42O14_(1S,2S,4S,5R,6R,7S,9R,12R)-12-Acetoxy-6-(acetoxymethyl)-2-hydroxy-2,10,10-trimethyl-5-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.0~1,6~]dodecane-4,7-diyl di(3-furoate) 674.2574563 5.4135 M-2H+Na 57509502 - --
NCGC00381209-01_C34H36O11_5,6-Bis(benzoyloxy)-3,4a,10a-trihydroxy-4,7,11b-trimethyl-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-4-carboxylic acid 620.2257622 2.6251 M-H+HCOOH 45359784 - --
NCGC00381101-01_C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside 480.2570623 3.1578 M-H-C4H8 56776227 - --
NCGC00381061-01_C30H51N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9,21-tetramethyl-6-(1-methylethyl)-3-(1-methylpropyl)- 625.3686785 8.1705 M-H-H2O 45782847 - --
NCGC00380994-01_C21H30O12_4-Acetyl-2-methoxyphenyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside 474.1737266 0.7852 M-H-COCH2 9832854 - --
NCGC00380842-01_C42H54O25_3-{5-(3,4-Dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-[(6-O-{3-[5-(3,4-dihydroxy-4-methyl-5-oxotetrahydro-2-furanyl)-2-(beta-D-glucopyranosyloxy)-4-methoxyphenyl]propanoyl}-beta-D-glucopyranosyl)oxy]-4-methoxyphenyl}propanoic acid 958.2954176 5.3377 M-2H+Na 45360165 - --
NCGC00380744-01_C22H32O11_beta-D-Glucopyranoside, 4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- 472.1944621 8.3581 M-H+NaCOOH 23872104 - --
NCGC00380713-01_C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]- 429.2185087 2.3341 M+Cl+NH3 56773934 - --
NCGC00380579-01_C33H42O17_4-(beta-D-Glucopyranosyloxy)benzyl 3-(beta-D-glucopyranosyloxy)-2-{[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]oxy}-3-methylbutanoate 710.2422002 1.3824 M+Cl 45359874 - --
NCGC00380575-01_C49H78O18_Olean-12-en-28-oic acid, 23-hydroxy-3-[[O-pentopyranosyl-(1->3)-O--6-deoxyhexopyranosyl-(1->4)-6-O-acetylhexopyranosyl]oxy]-, (3beta,5xi,9xi)- 954.5188161 0.7061 M-2H+Na 45359615 - --
NCGC00380334-01_C34H42O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 2-acetate 738.2371148 1.1373 M-H 23757186 - --
NCGC00380205-01_C27H35ClN4O6_2(6H)-Isoquinolineacetic acid, 7-(acetyloxy)-alpha-[3-[(aminoiminomethyl)amino]propyl]-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7,8-dihydro-7-methyl-6,8-dioxo- 546.2245127 3.5726 M+Cl+NaCOOH 51136300 - --
NCGC00347668-02_C37H50O21_(1aS,2S,6S,6aS)-6-({6-Deoxy-3-O-(beta-D-glucopyranosyl)-4-O-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta-D-glucopyranoside 830.284459 4.8595 M-H 44715815 - --
NCGC00179726-03_C40H44O22_1,4-Ethanonaphthalene-5,10-dicarboxylic acid, 1,4,4a,5,6,8a-hexahydro-5,10-dihydroxy-6,9-dioxo-, bis[[2-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]methyl] ester 876.2324234 0.8003 M+Cl 24069161 - --
NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline 306.1579573 2.9449 3M-2H 4583839 - --
NADP nicotinamide-adenine-dinucleotide phosphate 744.0832787 5.9079 M+CH3COO 5886 C00006 ko00195,ko00480,ko00760,ko01100,ko01240
N3'-Acetyltobramycin 509.2696927 8.095 M+Cl+NH3 439880 C03010 --
N2-Methylfangchinoline 623.3121123 8.3534 M+Cl 14753650 - --
N-tert-Butyl-4-nitro-2-(trifluoromethoxy)aniline 278.087827 1.867 M+Cl+CF3COOH 56776546 - --
N-methyl-L-normetanephrinium 198.1130185 0.8003 M+Cl+CF3COOH 6921592 - --
N-hydroxy-L-valinate 132.0660682 3.8021 M+Cl 22859863 - --
N-dodecanoyl-L-Homoserine lactone-3-hydrazone-fluorescein 700.2566851 5.3906 M-2H+K - - --
N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin 537.2984904 8.095 M+Cl - - --
N-debutylhalofantrine 443.1030545 2.2423 3M-2H 115076 - --
N-benzyl-1-(5-fluoropentyl)-1H-indole-3-carboxamide 338.1794417 10.5323 M-H 91936847 - --
N-acetylphosphinothricyl-L-alanyl-L-leucine 405.1664874 3.3328 M-H 102515194 - --
N-acetylmuramic acid 6-phosphate 373.0773976 8.9779 M+Cl+NH3 24798720 - --
N-acetyl-L-2-aminoadipic acid 6-phosphate 283.0457035 0.9602 M+CH3COO 443993 - --
N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide 432.2696331 10.0738 3M-2H 107800 - --
N-[(R)-4-phosphonatopantothenoyl]-L-cysteinate(3-) 399.0627131 2.5789 M-H-CO 25245609 - --
N-[(4-methylcyclohexyl)carbonyl]methionine 273.1398644 5.6283 2M-H 3240084 - --
N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate 253.0586372 0.754 2M-2H+Na 443220 C11467 --
N-Methylisoleucine 145.1102788 1.4586 M-H 560437 - --
N-Cyclohexyl 4-(4-bromopyrazol-1-YL)benzenesulfonamide 385.0283202 1.3978 M-2H+K 46739307 - --
N-Acetylneuraminic Acid Dimer 600.201398 2.6808 M-H-NH3 91746156 - --
N-Acetyl-O-demethylpuromycin-5'-phosphate 579.1842627 1.4357 M-H+NaCOOH 46173767 C07030 ko01100,ko01110
N-Acetyl-N6,O-didemethylpuromycin-5'-phosphate 565.1686127 4.2897 M+Cl 46173766 C07029 ko01100,ko01110
N-Acetyl-1-aspartylglutamic acid 304.0906656 6.4656 2M-2H+K 5255 C12270 ko00250,ko01100
N-Acetyglutamic acid 189.0637225 1.1828 M-H - - --
N-3-Pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-1-piperidinecarboxamide 456.1773107 5.3526 M+K-2H 25154867 - --
N-(docosanoyl)-1-beta-glucosyl-sphinganine 785.6744692 0.7061 M-H+NaCOOH 6321366 - --
N-(Hydrocinchonidin-8'-yl)-4-azido-2-hydroxybenzamide 598.1189368 4.6132 M- 656579 C11600 --
N-(Adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide 382.2420419 11.4445 M-H 57404059 - --
N-(4-coumaroyl)-L-homoserine lactone 247.084458 1.9056 M-H 71311837 C20677 --
N-(4-chlorophenyl)-N'-[4-(dimethylamino)phenyl]urea 289.0981899 6.5116 M-H 853056 - --
N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide 271.0956914 9.5157 2M-H 896056 - --
N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine 315.0774545 7.1689 M- 2051 - --
N-(3-(2-Amino-1H-imidazole-4-yl)propyl)-2'-hydroxy-3',5'-dibromo-4'-methoxyspiro[isoxazole-5(4H),1'-cyclohexane]-3',5'-diene-3-carboxamide 504.9784291 1.9047 M-H 23424586 - --
N-(3-((4aS,7aS)-2-amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide 390.096203 4.9212 M+Cl 49837968 - --
N-(2-Fluorophenyl)-3-(4-morpholinyl)propanamide 252.1274061 6.204 3M-2H+Na 575001 - --
N-(2,5-dioxopyrrolidin-1-yl)-4-nitrobenzamide 263.0542205 6.5116 3M+Cl 16482984 - --
N-(2,2,2-Trifluoroethyl)-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}benzenesulfonamide 481.039418 2.1193 M+Cl 447912 C15630 --
N,N'-Bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine 540.1559848 5.6595 M+Cl+NaCOOH 131752418 - --
N(4)-Acetylsulfamethazine 320.0943112 2.7931 M-H 66855 - --
N(1),N(8)-bis(sinapoyl)-spermidine 557.2737154 7.5643 M-H 90659865 C21170 --
N(1),N(12)-diacetylsperminium(2+) 288.2525264 10.6329 M+Cl 44123436 - --
N'-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide 331.0723691 3.0513 M-H+CH3CN 4336830 - --
Myricetin-3-O-(6''-malony)glucoside 566.0907849 5.1846 M+Cl - - --
Myricetin 3-glucoside 480.0903909 2.3804 M-H 44259426 - --
Myricetin 3-O-beta-D-galactoside 6''-O-gallate 632.1013496 9.1319 M-H 5319985 - --
Myricetin 3-(6-acetylgalactoside) 522.1009556 5.6907 M+Na-2H 131751771 - --
Myricetin 3,3'-digalactoside 642.1432144 9.8789 M-H+NaCOOH 44259420 - --
Mycocyclosin 324.1110071 3.9389 M-H 59053147 C20517 --
Mosapride 421.1568477 4.6287 M+Cl+CF3COOH 119584 - --
Morphine(1+) 286.1443186 1.7811 3M-2H+Na 23253564 - --
Moracetin 788.2011233 2.6712 M+F 5319886 - --
Montelukast sulfoxide 601.2053572 4.077 M-H 15297728 - --
Mono(methylsulfanyl)gliotoxin 342.0707986 4.813 M+Cl 91820329 - --
Mollicellin J 402.0870162 5.2 M-H 24787300 - --
Mollicellin I 370.1416386 7.0168 M-H 24787299 - --
Molidustat 314.1239718 1.7044 M+Cl 59603622 - --
Modafinil Acid 274.0663651 8.3534 3M-H+Cl 3085267 - --
Metsulfuron-methyl 381.074304 1.5355 M-H 52999 C10946 --
Metronidazole benzoate 275.090606 4.2591 M+Cl 83213 - --
Methyl(Z)-5-(5-methyl-2-thienyl)-2-penten-4-ynoate 206.0401503 0.6588 3M+Cl 101415119 - --
Methyl alpha-linolenyl fluorophosphonate 344.2280457 4.3822 M+Cl 71684458 - --
Methyl 6-(8-methyl-10-methylidene-6,7-dihydro-[1,3]dioxolo[4,5-g][3]benzazepin-8-ium-9-yl)-1,3-benzodioxole-5-carboxylate 394.1290625 4.6132 M-H+CF3COOH 5318970 - --
Methyl 4-O-alpha-L-rhamnopyranosyl-alpha-L-rhamnopyranoside 324.1420325 2.2423 2M-2H+Na 5319595 - --
Methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate 400.0116583 10.6539 M-2H+K 23928046 - --
Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside 802.1228729 0.8461 M+Cl 383389 - --
Methyl 15-[4-ethyl-8-(methoxycarbonyl)-1,3,6,7,8,9-hexahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate 736.3836002 7.4587 M-H-C2H4 19756847 - --
Methyl (1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-4'-((1S)-1-(((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxy)ethyl)-5'-oxo-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate 616.1792059 3.2493 M+Cl+NaCOOH - - --
Methyl (1,2,3,6,7,8-hexahydroxy-10-oxo-9,10-dihydroanthracen-9-yl)acetate 362.0637822 4.49 M-H 636703 - --
Methionylprolylarginine 402.2049243 0.6438 M+Cl+HCOOH 18222947 - --
Methionylmethionylarginine 436.1926451 8.3079 M-H 18222907 - --
Methacrolein 70.04186484 1.2134 3M+Cl 6562 - --
Metamitron 202.085461 2.7778 2M-2H+Na 38854 C10930 --
Met-TyrMe-OH 434.1147719 1.4893 M+CH3COO - - --
Met-Trp-Met 466.170847 4.2133 M+Cl 145457085 - --
Met-Thr-Met 381.1392125 5.3981 M-H+CF3COOH 10177889 - --
Met-Pro-Tyr 409.1671418 1.5355 M-2H+Na 145457051 - --
Met-Phe4Cl-OH 438.0652349 5.0758 M-H - - --
Met-Nap-OH 454.1198573 2.8276 2M-H - - --
Met-Met 280.091534 4.3051 M+HCOO 6993081 - --
Met-HoPhe-OH 418.1198573 7.7313 M+CH3COO - - --
Met-His-Trp 472.1892742 4.813 M-H 71471626 - --
Met-Glu-Gln 406.15222 2.1851 M-H-CH4 10136019 - --
Met-Cys-Asp-Phe-Thr 615.2032694 3.0207 M+Cl+NH3 - - --
Met-Cys 252.0602339 4.0616 M-H2O-H 18218227 - --
Met-Asn-Ser 350.1260053 3.7716 M-H-C6H8O6 46839631 - --
Met-Abu-OH 342.0885571 2.5036 2M-H - - --
Melitidin 708.2265501 5.1535 M-H 101485562 - --
Melatonin glucuronide 408.1532659 8.9779 M-H 131769970 - --
Meisoindigo 276.0898777 5.0758 3M-2H+K 126274 - --
Medicarpin 3-O-glucoside-6'-malonate 518.1424265 8.6883 M+F 23724665 - --
Mannosylglycerate 268.0794322 0.754 M+NH4-2H 443262 - --
Mangiferin 422.0849116 3.7869 M+CH3COO 5281647 C10077 --
Man1F 732.2800423 7.6553 M+Cl - - --
Malyngamide T 467.2438512 1.8737 M-H+NaCOOH 643677 - --
Malyngamide I 483.2751513 6.2796 M-H 10696213 - --
Malvidin-3,5-diglucoside 655.1874249 6.1715 M-H+CH3CN 441765 C08718 --
Malonylapiin 650.1482998 3.2493 M-H-H2O 5280803 C05622 ko00944
Mallotophilippen C 474.2406243 1.7965 M+Cl+NaCOOH 10050581 - --
Magnesium salicylate anhydrous 298.0327804 3.5571 M+K-2H 64738 C07995 --
MK-2206 407.1746104 5.3678 M+Cl+CF3COOH 24964624 - --
LysoPE(0:0/18:2(9Z,12Z)) 477.28554 8.08 2M-H 53480926 - --
LysoPA(i-20:0/0:0) 466.3059411 9.0394 M-H+CH3CN 17786813 - --
LysoPA(i-13:0/0:0) 368.1963906 3.3413 M+Cl 17786739 - --
LysoPA(19:0/0:0) 452.290291 8.2926 3M+2Cl 17786765 - --
Lysidicichin 470.1212971 5.0031 2M-2H+K 44125478 - --
Lys-Tyr-Val-Lys 536.3322333 8.3079 M+Cl+HCOOH - - --
Lys-Thr-Thr-Ser-Gly 492.2543769 2.7931 M-H - - --
Lys-Thr-Gln-Lys 503.3067469 4.6128 M-H-CH2 - - --
Lys-Phe-Leu-Glu 535.3005989 8.627 M-H - - --
Lys-Leu-Glu-Ala-Thr 560.3169772 8.3079 M-H - - --
Lys-Leu-Arg-Asp 530.3176459 9.2551 M-H - - --
Lys-Ile-Asn-Glu 502.2751124 2.3494 M-H - - --
Lys-Glu-Arg-Phe-Ala 649.3547597 4.8751 M-H - - --
Lys-Asp-Thr-Lys 490.2751124 4.844 M-H - - --
Lys-Arg-Leu-Glu 544.333296 9.6988 M-H - - --
Lys-Abu-OH 339.1430355 5.49 M+Cl - - --
Lyoniresinol 9'-sulfate 500.1352326 11.0688 M-H 74083657 - --
Luteoskyrin 574.1111263 3.2774 M- 30840 - --
Luteolin-7-O-glucuronide-(2→1)-(2''-Feruloyl)glucuronide 814.1592584 3.1122 M-H - - --
Luteolin-7-O-(6''-malonyl)glucoside-5-O-rhamnoside 680.1588645 3.6339 M+Cl - - --
Luteolin-7-O-(6'''-malonyl)sophoroside-5-O-arabinoside 748.2214647 2.3958 M+Cl - - --
Lorglumide 458.1739131 9.2551 M-H-C5H8O4 3960 - --
Lolitrem J 661.3614678 7.9615 M+NH4-2H 72734304 C20549 --
Liriodenine 275.0582432 0.754 M-H 10144 C09567 --
Liquiritigenin 4'-[3-acetylapiosyl-(1->2)-glucoside] 592.1792059 6.9252 M+HCOO 42607805 - --
Linagliptin Metabolite CD1790 473.2175378 1.9202 M+Cl 91971625 - --
Limocitrol 3-glucoside 538.1322557 9.8745 M-H 44260059 - --
Licorice glycoside D1 696.2054207 5.0953 M+Na-2H 42607807 - --
Licorice glycoside C1 726.2159854 6.7874 M+K-2H 42607809 - --
Licorice glycoside A 726.2159854 6.8805 M+Na-2H 101938903 - --
Licofelone 379.1339068 1.9051 M-H 133021 - --
Leu-TyrMe-OH 416.1583513 4.6596 M+Cl - - --
Leu-Ser-Phe-Met-Gln 624.2941333 9.8939 M+Cl - - --
Leu-Ser-His-Asp 470.2125121 5.0681 M-H - - --
Leu-Ser-Glu-Lys-Tyr 638.3275419 6.6801 M+Cl+CF3COOH - - --
Leu-Phe4Cl-OH 420.1088142 3.5571 M-H - - --
Leu-Met-OH 262.1351134 2.6406 M-H - - --
Leu-Met-Lys-Asp-Gly 562.2784832 6.001 M-H - - --
Leu-Leu-Lys-Gln-Gly 557.3536971 6.2263 M+Cl - - --
Leu-Ile-His-Arg 537.3387157 2.2575 M+Cl - - --
Leu-Asp-Gln-Gln-Val 601.3071408 5.6438 M-2H+Na - - --
Leu-Abu-OH 324.1321365 1.951 M-H - - --
Ledipasvir 888.4134381 7.6325 M+Cl 67505836 - --
Laricitrin 3-glucoside 494.106041 3.8933 M-H 44259475 - --
Laricitrin 3-galactoside 494.106041 3.922 M+Cl 44259474 - --
Lappaol F 714.267627 3.0207 M-H 73425459 - --
Lansoprazole Sulfone 385.0707967 6.9712 M-H 10385385 - --
Lansic acid 470.3396101 11.3908 M+Na-2H 21635003 - --
Laminin Penta Peptide,amide 593.3285449 6.094 M-H-C2H4 - - --
Lactofen 461.0489143 3.0819 M-H+NaCOOH 62276 - --
Labriformidin 560.2257622 5.1418 M-H-CH2 441861 C08870 --
LQWAESGR/2_0 945.4668294 4.5978 M-H+Cl - - --
LPS(22:6/0:0) 569.2753692 5.753 M+Cl - - --
LPI(18:3/0:0) 594.2805142 9.3165 M-H - - --
LPI(18:2/0:0) 596.2961643 10.0588 M-H - - --
LPE(0:0/18:3) 475.2698899 7.5657 M-H 53480928 - --
LPC(0:0/22:5) 570.3559653 10.2361 M-2H+K - - --
L-threonylcarbamoyladenylate 492.1005927 8.05 M-H 56835784 C20641 --
L-Thioinosine 284.0579256 5.8615 2M-H 3005838 - --
L-Phenylalaninosecologanin 537.2210112 1.2443 M+Cl+CF3COOH 101189142 - --
L-4-hydroxyphenylglycine-L-arginyl-D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine 709.2945648 4.7666 M+Cl 122706021 - --
L-2-Aminoadipate adenylate 490.1213281 0.9838 M-H-CH2 440724 C05560 ko00300,ko01100,ko01110
L-2-Amino-6-oxohexanoic acid 145.0738933 2.2575 3M-2H+K 207 - --
Kuromanin 449.1083867 4.5053 M+HCOO 441667 C08604 ko00942,ko01110
Kioukasin B 450.1274451 1.9202 M-2H+K 23624920 - --
Kinobscurinone 306.0528235 6.094 M+CH3COO 5282118 C12391 --
Khellin 260.0684736 3.4644 M+CH3COO 3828 C09010 --
Kaempferol-3-O-(6''-Malonyl)glucoside-7-O-Glucoside 696.1537791 3.1729 M-H-C6H10O4 - - --
Kaempferol-3-O-(2''-sinapoyl)glucosyl-(1→2)-(6''-malonyl)glucoside 902.211688 3.0513 M-H - - --
Kaempferol 7-sophoroside 610.1533851 2.8689 M+Cl 44258978 - --
Kaempferol 3-alpha-D-glucoside 448.1005616 3.234 M+HCOO 44258798 - --
Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside 754.1956439 3.0666 M-H 44258879 - --
Justalakonin 528.1267764 1.3824 M-H+HCOOH 10984243 - --
Juniperoside II 314.1365532 8.7421 M+Cl 10979937 - --
Junceellin 582.1867899 1.9665 M-H 21725802 - --
Jaceidin 4'-glucuronide 536.1166057 2.9449 M-H-CH3 21722026 - --
Jacaglabroside B 598.1686412 7.2609 M-H+Cl 45360280 - --
JWH 018 N-(5-hydroxypentyl) beta-D-Glucuronide 533.2049671 9.2398 M+Cl+NH3 95566195 - --
JWH 018 6-hydroxyindole metabolite 357.1728791 7.9742 2M-H 53394448 - --
Ivosidenib 582.1394011 7.1842 M-H+CF3COOH 71657455 - --
Itopa 440.0573109 2.2575 2M-2H+K 443035 C10951 --
Isoxaflutole 359.0439133 8.5668 2M-H 84098 - --
Isovitexin-7-olate 431.097822 5.784 M-H 25202038 - --
Isorhamnetin 3-O-beta-D-glucopyranosyl-(1-2)-alpha-L-rhamnopyranoside 624.1690352 3.5262 M+Cl+HCOOH 5318646 - --
Isorhamnetin 3-(6''-malonylglucoside) 564.1115203 5.6283 M-H-C2H4 44258022 - --
Isoorientin 448.1005616 4.1533 2M-2H+Na 114776 C01821 --
Isoneotheaflavin 3-O-gallate 716.1377351 7.2609 M+CH3COO 131750828 - --
Isolimocitrol 3-glucoside 538.1322557 3.0178 M-H 44260061 - --
Isokaempferide 300.0633882 4.1833 M-H 5280862 C05902 --
Isodonal 404.1835034 1.9202 M+Cl 442047 C09117 --
Irisolidone 7-O-glucuronide 490.1111263 5.1224 2M-H 131753196 - --
Irisoid E 342.0375674 3.2954 2M-H 10936784 - --
Irigenin 360.0845176 4.7208 M+HCOO 5464170 C17957 --
Inositol niacinate 810.1921706 4.3668 M-H 3720 - --
Indole-3-carboxylate 160.0398535 0.9992 M-H 6932058 - --
Indobufen 295.1208435 1.5662 M-H 107641 - --
Indicaxanthin 308.1008363 8.8721 3M+Cl 6096870 C08549 --
Impranine 427.3450298 9.6988 M+Cl 12111955 - --
Ilicifolinoside A 264.1209031 4.3206 2M-2H+Na 101938895 - --
Ile-TyrMe-OH 416.1583513 5.2305 3M-2H - - --
Ile-Ser-Val-Asp 432.2220142 2.227 M-H - - --
Ile-Ser-Asp-Arg-Ile 602.3387753 5.8615 M-H-CH3 - - --
Ile-Phe4Cl-OH 420.1088142 2.7472 M-H - - --
Ile-Phe-Val-Lys 505.3264197 4.5053 M-H - - --
Ile-Met-Tyr 425.1984419 5.4211 M+Cl 9823736 - --
Ile-Ile-Arg-Ser-Ser 574.3438607 8.4757 M+Cl+NaCOOH - - --
IWR-1-exo 409.1426416 7.7616 2M+Cl 1163034 - --
IRIFLOPHENONE TRIMETHYL ETHER 288.0997737 6.7721 M-H - - --
Hymenoside F 698.2210708 4.6596 M+Cl+HCOOH 10723381 - --
Hydroxysintaxanthin 5,6-epoxide 462.3133954 5.6283 M+Cl+HCOOH 131752541 - --
Hydroxyomeprazole 361.1096269 2.7319 M-H 119560 - --
Hydroxynefazodone 485.2193677 3.2646 M-H-CH3 11755137 - --
Hydroxyitraconazole 720.2342219 6.2641 M+Cl+NaCOOH 108222 - --
Hydroxychlor 315.9824628 0.4009 M+Cl 76302 C14136 --
Hydromorphone-3-glucoside 447.1893171 9.5924 M- 131770048 - --
Hydrolysis product OF bussein 648.2418062 3.5416 M-H 54699399 - --
Hydrangenoside A 620.2468916 1.7044 M-H-C6H10O4 21595218 - --
Humic acid 227.0429871 3.7869 M+Na-2H 90472028 - --
Hopeaphenol 906.267627 2.96 M-H 495605 - --
Hoiamide C 770.3780627 8.2926 M-H 46919101 - --
HoPhe-Nap-OH 484.1634366 10.593 M-H - - --
HoPhe-Gly-OH 344.1008363 2.1575 M-H - - --
HoPhe-Asp-OH 402.1063157 4.1982 M+CH3COO - - --
HoPhe-Abu-OH 372.1321365 4.7821 2M-H - - --
Histidyltryptophyldiketopiperazine 323.1382249 2.0437 M+Cl 24066854 C22162 ko01110
His-Val-Thr-Glu-Glu 613.2707553 8.7191 M-H - - --
His-Tyr-Arg-Lys 602.3288793 7.0335 M+CH3COO - - --
His-Thr-Ser-Asp 458.1761266 10.6999 M-H - - --
His-Ser-Thr 343.1491835 1.2135 M+Cl+HCOOH 145455963 - --
His-Ser-Ser 329.1335335 1.6214 M+Cl+NH3 9902004 - --
His-Phe-Tyr-Asp 580.2281622 6.3107 M-H - - --
His-Phe-Asp 417.1648336 2.9296 M-H+HCOOH 11553484 - --
His-Phe-Arg-Asp 573.2659447 1.858 M+Cl - - --
His-Lys-Ser-Glu 499.2390612 2.5942 M+Cl - - --
His-Lys-Phe-Lys 558.3278166 8.2926 M-H - - --
His-Leu-Trp 454.2328536 3.4953 M+Cl+CF3COOH 46851011 - --
His-Leu-Asp-Gln-Gln 639.2976388 5.5356 M-H - - --
His-His-Ser-Lys-His 644.3142918 10.915 M+Cl - - --
His-Glu-Trp 470.1913827 1.9047 M-H 9912555 - --
His-Glu-Phe-Gly-Asp 603.2288905 4.1381 M+Cl - - --
His-Glu-Met 415.1525544 1.8042 M+Cl+HCOOH 145455837 - --
His-Glu-Ile-Glu 526.2387269 9.531 M-H - - --
His-Gln-Glu-Asp 527.1975903 2.4422 M-H+CF3COOH - - --
His-Gln-Asn-Glu 526.2135747 10.7765 M-H - - --
His-Arg-Lys-Glu 568.3081438 10.8307 M-H - - --
Hidrachine A 313.1426416 7.9592 M+Cl+NaCOOH 15519707 - --
Hibiscitrin 496.0853055 2.3187 M-H 15559736 - --
Halopemide 416.141532 8.4297 2M+Cl 65490 - --
Guisinol 416.1390517 4.5823 2M-2H+K 10669625 - --
Guanosine 3',5'-cyclic monophosphate 344.0396098 2.7874 M-H+CH3CN 135398569 - --
Griseophenone C 304.0946883 2.1042 M+K-2H 23757122 C18836 --
Grepafloxacin glucuronide 535.1966079 3.4798 M+Cl 443296 C11597 --
Gossypetin 8-glucoside 3-sulfate 560.0472055 3.588 M-H 74978559 - --
Goniolactone D 488.1471179 0.8155 M-H+CF3COOH 10323214 - --
Gnidicin 628.2308476 3.3566 M-H 70691946 - --
Gnemontanin E 532.1733327 2.3958 M-H-CO 5317787 - --
Glyphosine 262.9959904 1.9047 M+NH4-2H 17112 C19132 --
Gly-Tyr-Asn-Ser-Tyr 602.2336415 1.6737 M+Cl - - --
Gly-Lys-Thr-Ser-Glu 520.2492916 2.899 M+Cl+NaCOOH - - --
Gly-Ile-Asp-Lys-Phe 578.3064125 9.2551 M-H - - --
Gly-Cys-His 315.1001248 0.738 M-H-C6H10O4 100916748 - --
Gly-Asp-Ala-Asn-Thr 476.1866913 3.3413 M-H-C4H8 - - --
Gluten exorphin B4 529.1808776 2.3804 M-H+CF3COOH 131769782 - --
Glutathioselenol 385.9924878 1.6584 M-H 53297413 C18871 ko00450
Glutaminylhistidyllysine 411.2230172 1.2673 M+Cl 18220669 - --
Glucose 180.0633882 5.2918 2M-H 5793 C00031 ko00010,ko00030,ko00052,ko00500,ko00520,ko00524,ko00901,ko01100,ko01110,ko02010
Glucoraphenin 435.0327581 1.9665 M+Cl 5281138 C08420 --
Glucobrassicanapin(1-) 386.0579478 4.906 M-H+NaCOOH 9548627 - --
Glucoberteroin(1-) 434.0613186 8.7345 M+Cl 9548726 - --
Glu-Val-Gln-Glu 503.2227425 1.8737 M-H - - --
Glu-Thr-Tyr-Glu 540.2067581 10.7518 M-H - - --
Glu-Thr-His-Glu 514.2023414 0.7061 M-H-C4H8 - - --
Glu-Ser-Val 333.1536002 1.7581 M+Cl+HCOOH 12069806 - --
Glu-Phe-Thr-Asp 510.1961934 3.036 M-H - - --
Glu-Phe-Asp-Glu 538.191108 5.675 M-H - - --
Glu-Lys-Phe 422.2165348 2.2881 M+Cl+NaCOOH 471579 - --
Glu-His-Phe 431.1804837 3.9693 M-H+CF3COOH 91976045 - --
Glu-Glu-Met-Ile-Ala 591.2574134 3.0207 M-H+NaCOOH - - --
Glu-Gln-Phe-Arg 578.2812604 9.8939 M-H - - --
Glu-Cys-Tyr 413.1256709 5.0916 M+Cl 145455351 - --
Glu-Cys-Asn 364.1052698 1.8737 M-H+NH3 10193781 - --
Glu-Asp-Val-Asp 476.1754579 4.6287 M-H - - --
Glu-Asp-Trp 448.1594139 9.9089 M+Cl+NH3 142685979 - --
Glu-Asn-Lys-Asp 504.2179914 6.9252 M-H - - --
Glochiflavanoside B 510.1737266 5.2918 M+Cl 11103219 - --
Globuxanthone E 618.1889827 7.6098 M-H 5317659 - --
Gln-Tyr-Thr-Lys 538.2751124 6.8792 M+Cl+HCOOH - - --
Gln-Pro-His 380.180818 4.1076 M+Cl+CF3COOH 42644357 - --
Gln-Lys-Phe-Arg 577.3336303 7.6249 M-H - - --
Gln-Leu-Glu 388.1957994 2.1193 3M-H+Cl 11176715 - --
Gln-Asp-Leu-Glu 503.2227425 1.9047 M+Cl - - --
GlcCer(d18:1/24:0) 811.6901193 6.2641 M-2H+Na 6321361 - --
Glabrin D 739.354091 7.4587 M-H 15478862 - --
Gilteritinib 552.3536374 11.0841 M-H-C6H10O5 49803313 - --
Geranoyl-CoA 913.188375 1.6507 M-H 45266603 - --
Genistein 7-O-glucuronide 446.0849116 3.7257 2M-H 15940724 - --
Genistein 4'-O-glucuronide 446.0849116 1.3211 M+HCOO 45782816 - --
Gemcitabine 5'-diphosphate 423.0044242 2.4268 M+HCOO 6420157 - --
Gardenoside 404.1318618 2.3958 M-H 100058 - --
Garcilivin B 620.1682473 3.9847 M-H 10326547 - --
Garcilivin A 620.1682473 7.3375 M-H 10348920 - --
Gambiriin B3 562.1475118 6.6955 M-H 46173996 C17777 --
Gallocatechol 306.0739529 3.4773 2M-2H+Na 1249 - --
Gallagic acid 604.0125345 8.216 M-2H+Na - - --
Galactosylglycerol 254.1001677 0.9838 M-H2O-H 656504 C05401 ko00052,ko00561
GalNAca1-3[Fuca1-2]Galb1-4[Fuca1-3]GlcNAcb-Sp 947.3706483 5.1069 M+Cl - - --
Gal1-4[Fuc1-3]GlcNAcSp 598.2333668 8.491 M-H2O-H - - --
Gal1-3[Fuc1-4]GlcNAcSp 598.2333668 3.0054 M-H - - --
GDP-valienol 601.0822393 2.5428 M-H 135921681 C21368 ko01100,ko01110
GDP-alpha-D-mannuronic acid 619.0564185 2.4268 M-H 135398576 C00976 ko00051,ko00520,ko01100,ko01250
GDP-D-glycero-alpha-D-manno-heptose 635.0877187 1.6814 M+Cl+HCOOH 135600932 C19881 ko01100,ko01250
GDP-4-amino-4,6-dideoxy-alpha-D-mannose 588.0982237 4.5514 M+Cl 135566713 C20638 ko00520,ko01100,ko01250
Fusaroskyrin 598.1111263 1.3978 M-H 102146096 - --
Fuc1-2Gal1-4GlcNAcSp 598.2333668 3.234 M-H - - --
Fragilide J 598.1817045 3.2646 M+Cl 21725801 - --
Formosanatin D 434.1365532 2.5336 M-H 5317374 - --
Formononetin 7-O-glucuronide 444.105647 5.97 2M-H 71316927 - --
Formononetin 7-O-glucoside-6''-O-malonate 516.1267764 6.9099 M+Cl 23724663 - --
Fluzoparib 472.1270867 5.6779 M+CH3COO 56649297 - --
Fluralaner 555.0551163 2.0129 M-H 25144319 - --
Fluprostenol methyl amide 471.2232579 1.9047 M+Cl 52204059 - --
Fluperamide 544.2104408 1.5662 M+Cl 131534 - --
Flubendiamide 682.0233235 0.6282 M-H 11193251 - --
Fluazifop 327.0718426 7.7464 2M-H 91701 C18527 --
Floribundoside 434.1212971 1.643 M+K-2H 22524479 - --
Flocoumafen 542.1704941 3.2579 M+Cl 54698175 C18696 --
Flavone base + 3O, O-HexA-FeruloylHexA 798.1643438 2.5789 M-H-C5H8O4 131752325 - --
Feruloylamaranthin 900.2072713 5.4671 M-H 122706444 - --
Feruloylagmatine 306.1691907 8.9779 M+Cl 46173376 C18325 ko00330,ko01100
Fenarimol 330.0326685 3.285 M-H 43226 C11226 --
Farnesyl triphosphate 462.0973583 2.227 M-H 5280571 C03115 --
FD And C Yellow No. 5 free acid 468.0045695 1.6737 3M-2H 16014 - --
Eujambolin 520.121691 3.418 M-H 74095102 - --
Eujambin 658.1169996 4.7975 M-2H+Na 21159144 - --
Etoposide D-glucuronide 764.2163794 3.3157 M+Cl 4488109 - --
Etofenamate 369.1187928 2.5036 M-H-C2H4 35375 - --
Etiocholanolone sulfate 441.3454238 9.6988 M-H 53481659 - --
Ethyl methanesulfonate 124.0194149 3.2801 3M-H+Cl 6113 C19239 --
Ethyl 2,4-dihydroxy-3-((3,4,5-trihydroxybenzoyl)oxy)-benzoate 350.0637822 3.3107 M-H-CH2 5317255 - --
Estradiol-17 3-sulfate 352.1344447 2.7625 M-H - - --
Estradiol 3,17-disulfate 432.0912593 2.5186 M-H 66430 - --
Eryvarinol A 470.1576826 3.1578 M+Cl+CF3COOH 637476 - --
Erionyl Yellow AR 582.0879052 6.1095 M+Cl - - --
Eriodictyol-6,8-di-C-glucoside-4'-O-glucoside 774.2218587 6.7427 M-H - - --
Eriodictyol 7-(6-galloylglucoside) 602.1271704 3.5262 M-H 74819398 - --
Epigallocatechin-7-glucuronide 482.106041 3.1273 M-H 76959109 - --
Epigallocatechin-3'-glucuronide 482.106041 2.7472 M+HCOO 76970196 - --
Epigallocatechin 3,5-digallate 610.0958702 5.1224 M-H 467299 - --
Epifisetinidol-(4beta->8)-epicatechin-(6->4beta)-epifisetinidol 834.2159854 6.9558 M-H 5089686 - --
Epiafzelechin-(4b->8)-epicatechin 3,3'-digallate 866.1694292 4.6441 M-H 131752746 - --
Enasidenib 473.1398776 4.9212 3M-H+Cl 89683805 - --
Emodin-8-glucoside 432.105647 5.3374 M-H 99649 C10345 --
Emodic acid 300.0270027 4.3515 2M-H 361510 - --
Emeriamine 160.1211778 0.6588 2M-2H+K 121830 - --
Embelin 294.1831094 11.0841 M-H 3218 C10342 --
Elephantoin 360.1209031 4.2284 3M-2H 73409 - --
Egtazic acid 380.1430951 4.878 M-H 6207 - --
Egonol gentiobioside 650.2210708 7.1842 M+Cl 74960882 - --
Edoxaban tosylate monohydrate 737.2068306 2.0284 M+Cl+CF3COOH 25022378 - --
ETH-NAD-imine adduct 794.170046 3.7868 M-H 129320317 - --
Dynorphin A (13-17),porcine 689.3132888 8.7191 M+Cl+HCOOH - - --
Dye X-17945-212 597.1061978 1.4129 M+Cl+NaCOOH - - --
Dye X-16768-260-Ba 542.2277682 5.8926 M-H-CH3 - - --
Dulxanthone E 398.1365532 7.9592 M-H 11795135 - --
Dodecaprenyl diphosphate 994.6944299 0.7221 M-H-COCH2 25246061 - --
Docosahexaenoic Acid-d5 328.2402304 10.8382 M+Cl 71434198 - --
Docosa-4,7,10,13,16-pentaenoyl carnitine 473.3505092 6.8334 M-H 53477825 - --
Disinomenine 656.3097666 2.9978 M-H 24829009 C16954 --
Diphyllin apioside 512.1318618 4.813 M+Cl 10391676 - --
Diphenylmercury 356.049066 5.0991 M-H 11488 - --
Diphenyl-1-pyrenylphosphine 386.1224377 3.2646 2M-2H+Na 130626 - --
Dimethylenetriurea 204.0970883 2.9903 M-H 441000 C06385 --
Dim-tolyl p-tolyl phosphate 368.1177463 2.227 2M-2H+K 5062076 - --
Dihydromorelloflavone 558.1162117 8.6745 M-H 11467081 - --
Dihydroisomorphine-3-glucuronide 463.1842317 3.3872 2M-2H+K 131769964 - --
Dihydrodaidzin 418.1263824 5.4441 M+Na-2H 10341941 - --
"Dihydrocephalomannine, 2"""",3""""-(P)" 833.3622557 8.3231 M-H-CH3 131874484 - --
Dihydro-heme d1 708.1155479 6.2486 M+Cl+HCOOH 91820333 - --
Difloxacin 399.139448 1.5355 M+HCOO 56206 C11234 --
Dicyclopentadiene 132.0939004 0.7221 M+Cl+NaCOOH 6492 C14411 --
Dictamnoside N 374.1940681 4.49 M-H 11003271 - --
Dichlorprop 233.9850496 4.4746 M-H 8427 C11020 --
Dichlorophen 268.0057851 3.6186 M+HCOO 3037 C14292 --
Dibenzothiophene 184.034671 2.6559 M+Cl 3023 C20125 --
Diacetyldideisovaleryl-rhodomyrtoxin 344.089603 5.4441 M+HCOO 4317971 - --
Di-trans,poly-cis-hexaprenyl diphosphate 586.3188282 9.3778 M-H 25245250 C17434 --
Desmethyldescarbamoylnovobiocin(1-) 554.2026214 3.0971 M-H-C2H4 71581087 - --
Desbutyllumefantrine 473.0898167 6.6648 M+Cl 9934522 - --
Deoxycalyxin A 3'-hydroperoxide 598.2202829 2.6712 M-H-C4H8 102146192 - --
Demethyl-desacetyl-rifamycin SV 641.2836114 8.095 M-H 11954038 - --
Demethyl medicarpin 256.0735589 0.3394 M-H 3347979 - --
Deltarasin 603.2998109 8.65 M+Cl 73292904 - --
Delta (Phospho) Sleep Inducing Peptide 928.2963921 3.3872 M-H - - --
Delphinidin 3-O-3'',6''-O-dimalonylglucoside 637.1040892 0.9518 M+Cl 23724698 - --
Deglucoderhamnoparillin 740.4346924 9.0239 M-H 266501 - --
Davisioside 452.1682473 10.9875 M+Cl 10928498 - --
Dattelic acid 336.0845176 3.4953 M-H2O-H 6124136 - --
Dasabuvir 493.1671418 8.0349 M+Cl 56640146 - --
Dapsone hydroxylamine 264.056863 1.9047 2M-H 65387 - --
Daphnoretin 352.0583028 4.906 M+CH3COO 5281406 C09216 --
Dantaxusin D 666.3040125 10.9615 M-H-H2O 11028760 - --
Daidzein 4'-sulfate 334.0147235 6.8104 M-2H+Na 12114463 - --
Daidzein 4'-O-glucuronide 430.0899969 4.5668 M+CH3COO 23930394 - --
Dahuribirin B 650.1999414 2.899 M-2H 10886819 - --
Dabrafenib mesylate 615.0891658 7.81 2M-3H 44516822 - --
DL-Glutamate 147.0531578 3.2801 3M+Cl 611 C00302 ko00460,ko01100
DL-Citrulline 175.0956914 0.754 M-H 833 - --
DL-Carbidopa 226.095357 1.9357 M-H 2563 - --
DG(22:4(7Z,10Z,13Z,16Z)/24:0/0:0) 756.6631762 4.6441 M-H 53478455 - --
DG(22:2(13Z,16Z)/24:1(15Z)/0:0) 758.6788263 3.9541 M+Cl 53478430 - --
DG(18:2(9Z,12Z)/14:1(9Z)/0:0) 562.4597253 11.1107 M+F 53478099 - --
DG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/0:0) 558.4284252 0.9992 M-H 53477983 - --
D-ribofuranose 5-phosphate 230.0191544 1.812 M-H+CH3CN 439167 C00117 ko00030,ko00230,ko00440,ko00710,ko00750,ko01100,ko01110,ko01200,ko01230,ko01240
D-fructofuranose 1-phosphate 260.0297191 3.3107 M+CH3COO 439394 C01094 ko00051,ko00400,ko01100
D-cycloserine(1+) 103.0507525 4.9517 M+Cl 7045654 - --
D-Quinovose 164.0684736 1.5508 2M-H 439746 C02522 --
D-Pinitol 194.0790383 1.3978 M-H 164619 - --
D-Glucose 1,6-bisphosphate 339.9960501 1.0911 M-H 5459969 - --
D-Carnitinyl-CoA 911.2176638 2.2575 M-H-CO 605 - --
D-4-hydroxyphenylglycine-L-seryl-L 4-hydroxyphenylglycine 403.1379502 4.3051 M-H-CH3 122706476 - --
Cysteylglycyllysine 306.136176 1.1373 M+Cl+HCOOH 18219891 - --
Cysteylasparagylarginine 391.1637877 2.9296 M+Cl+NH3 18219784 - --
Cysteylalanine 192.056863 3.1161 2M-H 20574727 - --
Cysteinyl-histidine 258.0786611 1.3978 2M-2H+Na 11608582 - --
Cysteinyl-glutamate 250.0623423 5.6438 M+HCOO 18218194 - --
Cys-Leu-Gln 362.1623908 7.9742 M-H+NaCOOH 46935384 - --
Cyfluthrin 433.0647772 0.738 M+Cl+HCOOH 104926 C10982 --
Cyclo(Gly-L-Asp-L-Leu-L-Val-L-Thr-L-Tyr-L-Phe-) 795.3803058 6.0187 M+Cl+NaCOOH 10930793 - --
Cyanidin-3-xyloglucoside 579.1349954 9.774 M-2H+Na 102514937 - --
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside 595.1451661 6.8334 M-H 5282067 - --
Cyananin 903.2558985 1.3978 M-H 44256793 - --
Cuscuta propenamide 2 353.1990938 2.2423 M+Cl+HCOOH 10383449 - --
Curcumin dimer 3 734.2363269 8.673 M-H 131752651 - --
Cryptolepine 232.1000484 8.2619 M-H-CH3 82143 C09142 --
Crocusatin H 228.1361592 5.8615 M-H-CO2 637013 - --
Crenatoside 622.1897706 4.8285 M+CH3COO 44593361 C10481 --
Crassirhizomoside B 662.1846853 2.9296 M-H 11764949 - --
Cosmosiin hexaacetate 684.1690352 2.3726 M+Cl+HCOOH 6710773 - --
Coproheme III 708.1883232 2.839 M+Cl 42626838 C21284 ko00860,ko01100,ko01110,ko01240
Confertifoline 234.16198 9.0394 M-H 435751 - --
Coelenterazine disulfonate dioxetanone 612.038275 3.7716 M-H 131841599 - --
Coelenterazine 423.1582916 4.6596 2M-H 135445694 - --
Cobyrinate 931.2812002 3.6033 M+Cl 91820482 - --
Cobalt-dihydro-precorrin 6;Cobalt-precorrin 6B 954.2945046 3.418 M-H-C2H4 5281939 - --
Cmp-kdn 573.1207191 1.8196 M-H+NaCOOH 10531760 C21384 ko00520,ko01100,ko01250
Clozapine glucuronide 502.1619125 8.216 M-H 131769989 - --
Cloquintocet-mexyl 335.1288214 3.0819 M-H+CF3COOH 93528 - --
Clopyralid 190.9540838 0.4458 M+CH3COO 15553 C18779 --
Clopidol 190.9904693 1.7965 M- 18087 - --
Clopidogrel Acyl-beta-D-glucuronide 483.0754652 5.0758 2M-H 96359892 - --
Citbismine F 654.2213455 3.8021 M-H+CF3COOH 73193398 - --
Cirsiliol 330.0739529 5.0604 M+HCOO 160237 C10033 --
Cirrhopetalanthin 478.1416386 7.7768 M-H+HCOOH 9982511 - --
Ciprofibrate 288.0319998 0.8155 M-H+CH3CN 2763 - --
Cinnatriacetin A 376.1310739 10.1418 M-H-COCH2 9976815 - --
Cinnamic acid, 4-hydroxy-3-methoxy-, (5-hydroxy-2-hydroxymethyl-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-(6-methyl-3,4,5-trihydroxytetrahydropyran-2-yloxy)tetrahydropyran-3-yl) ester 652.2367209 4.8595 M-H+CF3COOH 5369484 - --
Cinchonain Id 7-glucoside 614.1635559 5.0295 M-H 85220096 - --
Chrysoeriol-7-O-(6''-feruloyl)glucoside 638.1635559 3.8933 M+Cl - - --
Chrysoeriol-6-C-glucoside-4'-O-(6''-sinapoyl)glucoside 830.2269441 3.6415 M-H-C4H8 - - --
Chromopyrrolate 383.090606 2.839 M+Cl+NaCOOH 45479433 - --
Chlorpropham 213.0556564 1.0298 M+Cl+NH3 2728 C14506 --
Chloroxuron 290.0822055 5.7995 M-H 16115 - --
Chlorflurenol-methyl 274.039672 4.3051 M+Cl 17334 - --
Chlorazol black E 737.1474858 6.2486 M+Cl - - --
Cetirizine N-oxide 404.1502851 3.7257 M-H 45038602 - --
Cellopentaose 828.2746822 2.2881 M-H 440949 C06218 --
Celephthalide C 372.178418 4.4591 M-H 11280198 - --
Caylin-2 648.2171249 1.1828 M-H 60148571 - --
Caspase-9 Substrates 1,chromogenic 674.2660043 2.7092 M-H-COCH2 - - --
Caspase-3 Precursor Protease Substrates 675.275172 2.7778 M+Cl+NH3 - - --
Carvacrol 2-O-beta-glucopyranosyl(1-2)-beta-glucopyranoside 474.2101121 3.036 M-H+NaCOOH 101203408 - --
Carbobenzyloxy-L-alanyl-L-norleucine methyl ester 350.1841721 4.6132 M+Cl 4294996 - --
Cannabipiperidiethanone 376.2150782 8.3991 M+Cl 53494930 - --
Cannabinol 310.1932802 3.7131 M+Cl 2543 C07580 --
Calicheamicin T0 584.0956928 2.9296 M-H 49866737 C21338 ko01100,ko01110
Calcium;trisodium;2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate 631.1042776 9.8789 M-H 15845460 C20358 --
CMP-8-amino-3,8-dideoxy-beta-D-manno-octulosonate 542.1261388 3.588 M-2H+K 122361367 C21334 --
CMP-5'-phosphonoformate(3-) 427.989622 1.7504 M-H 45479523 - --
CMP-5'-3-(N-acetyl-N-hydroxy)aminopropylphosphonate 500.0709463 4.9673 M-H+CF3COOH 90657868 - --
CID 78055824 370.0358529 5.97 M-2H+Na 78055824 - --
CID 73093432 610.1533851 4.0878 M+K-2H 73093432 - --
CID 72682693 517.1465256 5.8771 M-2H+Na 72682693 - --
CID 317610 364.1885888 3.2187 M-H 317610 - --
CID 25079954 518.1999414 6.2952 M+Cl 25079954 - --
CID 155881 670.2315162 1.6735 M-H 155881 - --
CID 14586214 560.1318618 4.7514 M+Cl 14586214 - --
CID 14284670 482.0696555 2.8237 2M-H 14284670 - --
CID 13940613 508.0853055 1.6737 3M-2H 13940613 - --
CID 131838408 728.0860934 0.5976 M-H 131838408 - --
CID 131835430 708.1995474 7.8073 M+CH3COO 131835430 - --
CID 131751332 715.5598334 11.3602 M-H 131751332 - --
CID 101635263 680.3983069 8.8264 M-H 101635263 - --
CDP-4-dehydro-6-deoxy-alpha-D-glucose 545.0447912 2.7472 M+Cl 25244744 - --
C35H36F3N3O5 635.2607061 2.7778 M+Cl 11954219 - --
C26:1 GlcCer 837.7057694 4.1684 M+Cl 6321362 - --
C-1027 Chromophore 843.2406164 3.0666 M+Cl 5281917 - --
Bulleyaconitine A 627.3407324 9.6988 M-H 159311 - --
Bromosporine 404.1266739 7.8836 3M+2Cl 72943187 C73098 --
Brevifolincarboxylic acid 9-sulfate 371.9787319 8.2313 M-H 131751176 - --
Boldenone sulfate 366.1500948 1.3211 M+Cl 29974768 - --
Blood Group H Type 2 Core 3-Thr 833.3277208 3.7716 M+Cl - - --
Blestrianol C 586.1991535 2.3745 M-H 14863077 - --
Bisosthenon B 488.1471179 10.537 M-H 14409176 - --
Bisindolylmaleimide IV 327.1007767 4.5045 M+Cl 2399 - --
Bis-gamma-glutamylcysteinylbis-beta-alanine 640.1832622 1.8737 M-H+NH3 131750868 - --
Bis-(5-acetyl-8-hydroxyquinolinium)sulfate 472.0940364 2.5713 2M+Cl 57358260 - --
Bis(glutathionyl)spermine 780.3622297 7.6401 M+Cl 24892794 - --
Bis(beta-glucosyluronate)bilirubin 934.3120111 2.3804 M-H+Cl 45266655 - --
Bis(7-hydroxyheptyl) hexanedioate 374.2668391 10.5173 M+Cl 101493123 - --
Bis(4-hydroxyphenyl)methanol 216.0786443 8.3686 M-H 13542891 C18215 --
Bis(4-cyanophenyl)methanol 234.079313 6.5116 M-H 10466550 - --
Bis(4-chlorophenyl)acetic acid 280.0057851 3.8808 2M-H 6730 C06640 --
Binimetinib 440.029558 8.216 M+Cl+HCOOH 10288191 - --
Betavulgarin glucoside 474.1162117 7.5946 M- 131753071 - --
Beta-Tyrosine 181.0738933 7.9742 M+NH4-2H 440311 C04368 ko00350
Besifovir 299.078341 1.8892 M- 5270766 - --
Benzoylsalireposide 510.1525972 10.1418 M+Cl 10369077 - --
Benzoyl-beta-D-glucoside 284.089603 3.036 M-H2O-H 12314096 - --
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl- 423.1477437 0.7697 M-H+NH3 68319455 - --
Benzenamine, 4-(8-chloro-2-methyl-11H-imidazo(1,2-C)(2,3)benzodiazepin-6-yl)- 322.0985243 3.2646 M-H 9927197 - --
Bentazone 240.056863 5.6595 2M-H 2328 C10965 --
Bartsioside, >=95% (LC/MS-ELSD) 330.1314678 6.4503 2M-H 10359257 - --
Baricitinib phosphate 469.0933392 3.2646 M-H 44231848 C71598 --
Barbital 184.0847923 3.0513 M-H 2294 - --
Bapta-AM 764.2276127 4.8673 M-H+NaCOOH 2293 - --
Baicalein 6-methylether-7-O-beta-galactopyranuronoside 460.1005616 4.1833 M+Cl+NH3 636815 - --
BROMO-3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE-LACTONE 400.1074717 6.9893 M-H - - --
BL III 508.1005616 2.1345 M+F 10413926 - --
BIX 01294 Trihydrochloride 600.2332283 4.3206 M+Cl+NaCOOH 46945860 - --
Azinphos-methyl 317.0057697 3.6186 M-H 2268 C11018 --
Avermectin B2b monosaccharide 732.4084777 4.8441 M-H-CH2 11953972 - --
Avermectin A2b aglycone 602.3454834 9.744 M+Cl 11953971 C11956 --
Austrocolorin A1 602.2151975 4.3977 M-2H+K 21577360 - --
Atractyloside F 826.3834448 7.4887 M+Cl 71448956 C17863 --
Atractyloside D 562.2989272 7.4587 M-H+NaCOOH 71448954 C17861 --
Aspartylmethionyllysine 392.1729555 1.9357 M+Cl 18219601 - --
Aspartylmethionine 264.0779924 6.6362 2M-H 21488123 - --
Aspartylhistidyllysine 398.1913827 4.8906 M+Cl 18219524 - --
Aspartylaspartylarginine 404.1655619 10.3974 M+Cl 18219419 - --
Aspartylasparagine 247.0804352 7.1093 M-H 18218190 - --
Asparagylcysteine 235.0626767 6.0629 2M-H 18218178 - --
Asparagylasparagylarginine 402.1975307 7.1229 M+Cl 18219008 - --
Asp-TyrMe-OH 418.1012303 2.5942 M+Cl - - --
Asp-Thr-Tyr-Ala-Val 567.2540426 4.4132 M+Cl - - --
Asp-Thr-OH 234.0851863 6.6495 M-H 64896714 - --
Asp-Ser-Glu-Glu-Glu 607.1973156 4.0616 M+Cl - - --
Asp-Ser-Glu-Asp 464.1390724 5.2158 2M-H - - --
Asp-Ser 220.0695362 3.4644 M-H 9964514 - --
Asp-Pro-Thr-Lys-Val 558.3013272 4.9212 M+Cl+HCOOH - - --
Asp-Phe4Cl-OH 422.0516933 2.4732 M-H - - --
Asp-Nap-OH 438.1063157 2.96 M-H - - --
Asp-Met 264.0779924 6.7721 M- 9856584 - --
Asp-Lys-Leu-Gly-Glu 560.2805917 3.4798 M+Cl+NaCOOH - - --
Asp-Ile-Tyr-Asp 524.2118434 4.5978 M+Cl - - --
Asp-HoPhe-OH 402.1063157 6.5116 M-H - - --
Asp-His-Tyr 433.1597482 3.0178 M+Cl+CF3COOH 145454457 - --
Asp-Gly-His-Ser-Thr 515.1975903 1.5123 M-H+CF3COOH - - --
Asp-Glu-Thr-Asp 478.1547225 5.3905 M-H - - --
Asp-Gln-Ala-Asp 447.1601422 8.0349 M+HCOO - - --
Asp-Asp-Trp 434.1437638 6.0629 3M+2Cl 145454384 - --
Asp-Asp-Asp-Asp-Asp-Asp 708.1722231 5.4748 M+Cl - - --
Asp-Asp-Asp-Asp-Asp 593.14528 5.6283 M-H-C2H4 10210640 - --
Asp-Ala-His-Asp 456.1604765 9.3165 M+HCOO - - --
Asn-TyrMe-OH 417.1172147 7.3069 M-H2O-H - - --
Asn-Tyr-Asp-Arg 566.2448749 10.6482 M+Cl+NaCOOH - - --
Asn-Tyr 295.1168208 7.2609 M+CH3COO 9900771 - --
Asn-Trp 318.1328052 7.6856 M+CH3COO 18218187 - --
Asn-Thr-Gln-Glu 490.2023414 2.3494 M-H+CF3COOH - - --
Asn-Pro-Tyr 392.1695846 2.96 3M-2H 54325058 - --
Asn-Pro-Lys-Ala-Met 559.2788176 1.8273 M+Cl - - --
Asn-Glu-Thr-Asp-Leu 590.2547709 3.0513 M+Cl+CF3COOH - - --
Asn-Gln-Tyr-Glu 552.2179914 3.9541 M-H - - --
Asn-Cys-Gly 292.0841404 3.4489 M+Cl+NaCOOH 54282585 - --
Asn-Asn-Thr 347.1440982 1.8273 M-H-CO2 145454041 - --
Ascorbate 2-sulfate 255.9889027 0.8919 M-H 54675759 C02812 --
Artocommunol CB 556.2824892 2.9449 M-H-C6H10O4 639645 - --
Armillatin 610.4233398 10.0289 M-2H+Na 131752446 - --
Arg-Tyr-Asn-Glu 580.2605249 3.1122 M+Cl - - --
Arg-Tyr-Arg 493.2761154 8.08 M-H 10185047 - --
Arg-Gly-Glu-Val-Leu 572.3282106 7.6856 M-H - - --
Arg-Glu-Ala-Phe-Arg 677.3609077 5.551 M+Cl - - --
Arg-Gln-Ser-Lys 517.2972448 8.3079 M+CH3COO - - --
Arecatannin B1 866.2058147 2.9449 M-H 14237657 C17892 --
Araliacerebroside 731.554748 11.3755 M-H 131751463 - --
Apocynol B 240.1361592 7.6856 3M-2H+K 10977562 - --
Apigenin-8-C-(2''-feruloyl)glucoside 608.1529912 4.9517 M-2H+Na - - --
Apigenin-7-O-rutinoside-4'-O-rutinoside 886.2742882 5.784 M-2H+Na - - --
Apigenin 7-glucuronide 446.0849116 4.1982 M-H 5319484 - --
Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide 798.1490877 2.9421 M-H 131752324 - --
Apafant 455.1182735 8.2466 2M-H 65889 - --
Antillatoxin B(red color) 565.3515718 8.3382 M-H-COCH2 - - --
Anthralin 226.0629942 7.8073 M-H+HCOOH 2202 C06831 --
Amylotetraose 666.2218587 8.2336 M+HCOO 870 - --
Ammelide 128.0334254 4.6596 2M-H 12584 C08734 --
Amlaic acid 652.0911788 6.1017 M+Na-2H 131751968 - --
Amitriptylinoxide 293.1779644 1.9047 M+Cl+NaCOOH 20313 - --
AminoDAHP 287.0406182 1.1373 M+Cl 56928076 C12106 ko01110
Amarogentin 586.1686412 6.334 M+Na-2H 115149 C09767 --
All-trans-heptaprenyl diphosphate(3-) 651.3579534 9.3165 M+Cl+HCOOH 25245257 - --
All trans decaprenyl diphosphate 864.6161796 0.7221 M+Cl+HCOOH - - --
Alectinib Hydrochloride 518.2448542 2.96 M+Cl 53239799 - --
Albendazole sulfone 297.0783268 8.6577 M-H 53174 C16626 --
Alanylhistidylarginine 382.2077014 3.2493 M+Cl 14746929 - --
Ala-Val-Gln-Glu 445.2172631 1.982 M-H-C2H4 - - --
Ala-Val-Ala-Ile-Gln 500.2958478 8.7143 2M-H+Cl - - --
Ala-Pro-Ala 257.1375562 1.5355 M-2H+Na 9816556 - --
Ala-Phe4Cl-OH 378.061864 0.9832 M-H - - --
Ala-Phe-Ile-Arg 505.3012675 8.1553 M-H - - --
Ala-Nap-OH 394.1164864 4.6132 M-H 10056243 - --
Ala-Met-Trp 406.1674761 3.7563 M+Cl 145453646 - --
Ala-Met-Gly-Ile-Met 521.2341756 2.8237 M-H-CH3 - - --
Ala-Leu-Thr-Asp 418.2063641 1.9974 M-H - - --
Ala-Glu-Asn-Arg 488.2343102 9.1783 M+Cl+NH3 - - --
Ala-Asp-Ser-Glu 420.1492431 5.5203 M-H2O-H - - --
Ala-Asn-Asp-Asp 433.1444921 7.4287 M-H - - --
Ajocysteine 281.0214055 1.0145 M- 59288250 - --
Agaropentaose 792.2535528 2.4422 M+Cl 54758642 - --
Adipokinetic Hormone 920.4392177 0.792 M-H-C5H8O4 - - --
Adenylyl(3'-5')cytidine 572.1380408 4.8159 M-H-C3H2O3 91746281 - --
Adenosine thiamine diphosphate 674.1311581 2.4113 M-H-CO 53481915 - --
Adenosine 3',5'-bismonophosphate(4-) 422.9981157 0.9838 M-H 23615194 - --
Acylsucrose S4:24[6] (2,5,5,12) 734.4088716 4.0309 M+Cl+NH3 91754211 - --
Actinamine 206.1266572 5.846 2M-H 46173945 C17575 --
Acetyl-maltose 384.1267764 6.4348 M-H2O-H 11349616 C02130 --
Acetic acid 2-[7-acetoxy-6-(5-acetoxy-6-methoxy-3-phenyl-benzofuran-2-ylmethyl)-chroman-3-yl]-5-methoxy-phenyl ester 650.2151975 0.8461 M+Cl 636588 - --
Acacetin-7-O-glucuronide 460.1158177 2.2881 M-H+HCOOH - - --
Ac-Val-Asp-Val-Ala-Asp-CHO 543.2540426 0.7852 M+Cl - - --
Ac-Asp-Glu-Val-Asp-CMK 550.1677857 3.7868 M-H-CO2 - - --
Ac-Asp-Glu-Glu 433.1332587 1.9742 M+Cl 72715763 C20776 ko00250,ko01100
Abu-Phe4Cl-OH 392.0775141 3.6492 M-H+CH3CN - - --
Abu-His-OH 348.1069843 9.1629 M-H - - --
Abu-Asp-OH 326.0750155 7.2149 M-H - - --
Abt-751 371.0939768 1.9047 M-H-CH2 3035714 - --
Abemaciclib 506.2717996 10.2551 M+Cl+HCOOH 46220502 - --
ADP-D-ribose 1'',2''-cyclic phosphate 621.0274409 1.6507 M+Cl 42626432 C19851 --
AB-Pinaca 330.2055762 8.9932 M+Cl+HCOOH 71301472 - --
A3'p5'A3'p5'A 925.2017944 9.744 M-H 439298 C00895 --
<i>para</i>-hydroxyatorvastatin 574.2479152 4.1153 M+Cl - - --
9-{5-O-[(Sulfonatooxy)phosphinato]pentofuranosyl}-9H-purin-6-amine 425.0042494 3.9847 M-H+NH3 25246029 - --
9-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one 268.0807696 1.4893 M-H 135992491 - --
9-OxoODE 294.2194949 9.2245 M-H 9839084 C14766 ko00591
9-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid 304.0695362 1.7965 M+Cl 2872935 - --
9-(1,3-benzodioxol-5-yl)-4-[(3R,4R,5R)-3-hydroxy-4,5-dimethoxy-tetrahydropyran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one 540.1631619 5.6595 M-H 442833 C10548 --
9,10-Epoxystearic acid 298.2507951 6.7568 M+HCOO 15868 C19418 ko00073
9,10-Dihydrokadsurenone 358.1780241 8.445 M-H 443058 - --
8-oxo-GDP 459.0192451 2.2423 M-H+HCOOH 135567132 C22235 --
8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C 604.1428204 3.2034 M-H 86289504 C20974 ko01100,ko01110
8-demethyl-8-(2,3-O-dimethyl-alpha-L-rhamnosyl)tetracenomycin C 632.1741206 6.527 M+CH3COO 86289507 C20976 ko01100,ko01110
8-demethyl-8-(2,3,4-O-trimethyl-alpha-L-rhamnosyl)tetracenomycin C 646.1897706 6.7874 M+HCOO 86289508 C20977 ko01100,ko01110
8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 554.0849116 8.8796 M+CH3COO 21676279 - --
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 848.2316355 7.1382 M-H 131838671 - --
8-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 576.1631619 11.0075 M+Cl 131838746 - --
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 832.2367209 6.2024 M-H 131838687 - --
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 802.2261562 1.9357 M+Cl 131838660 - --
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 560.1682473 6.7721 M-H-CH2 131838767 - --
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 530.1576826 2.4577 M-H 131838736 - --
8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 818.2210708 7.0774 M-H 131838658 - --
8-[2-(acetyloxy)-1-hydroxypropan-2-yl]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl(2E)-2-methylbut-2-enoate 402.1314678 3.234 M+K-2H - - --
8-[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 578.178812 2.1652 M-H 131838758 - --
8-[(6-O-Butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 532.1580765 3.4953 M-H-CH4 5323572 - --
8-[(2-O-Sulfo-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 556.0522909 3.1881 M-H 5318672 - --
8-O-Methyldihydrosterigmatocystin 340.0946883 5.645 M+Na-2H 14608351 C03944 ko00254,ko01100,ko01110
8-Methylthiooctyl glucosinolate 477.1160939 7.7997 M-H+NH3 46173877 C17254 ko00966,ko01110,ko01210
8-Epidermal glycoside 330.1678533 8.445 M+Cl 13821 C11656 --
8-Demethyltetracenomycin C 458.0849116 1.6277 M-H 49787019 C12379 ko01100,ko01110
8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C 618.1584705 3.5416 M+Cl 86289506 C20975 ko01100,ko01110
8-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propan-2-yl)-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl 3-methylbut-2-enoate 506.1576826 0.754 M-H 131835230 - --
8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,13,14-triol 272.0684736 8.8721 M-H 131839429 - --
8,16-Dihydroxy-6-(6-hydroxy-1-benzouran-2-yl)-12-methyl-3,13-dioxapentacyclo[10.7.1.02,10.04,9.014,19]icosa-2(10),4,6,8,14(19),15,17-heptaen-11-one 454.105253 0.9985 M-H 23257486 - --
8,12-Diethylbacteriochlorophyllide d 588.2586981 9.8039 M-H 124201680 C21432 ko00860
71-Dihydroxychlorophyllide a 644.2121418 6.7874 2M-H+Cl 126961062 - --
7-chloro-2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,8-trimethoxy-4H-chromen-4-one 422.0768454 1.8426 M-H 131839332 - --
7-chloro-2-(3,4-dimethoxyphenyl)-5,8-dihydroxy-3,6-dimethoxy-4H-chromen-4-one 408.0611954 1.9357 M+CH3COO 131839337 - --
7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b]benzofuran 294.0619264 3.2646 2M-H 99997 - --
7-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[2-[4-[[5-(formamidomethyl)-3-furyl]methoxy]phenyl]ethylamino]-4-oxo-butyl]amino]-4-oxo-butyl]amino]-7-oxo-heptane-1,3,4-tricarboxylic acid 776.2752316 7.4587 M+NH4-2H 21122662 C01001 ko01100,ko01200
7-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-isopropenyl-7-oxo-heptanoic acid 949.2095044 4.0155 M-H+NH3 9543047 C11936 ko00903
7-[(6-O-alpha-L-Rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3',4',5'-trimethoxyflavone 652.2003353 2.7701 M-2H+Na 56776348 - --
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-hydroxy-6-(4-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one 638.1482998 7.032 M-H+CF3COOH 51136391 - --
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1-hydroxyxanthen-9-one 536.1529912 2.7243 M+Cl+CF3COOH 10578268 - --
7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dimethoxy-3-(4-methoxyphenyl)chromen-4-one 944.3161531 2.4268 M+Cl 45783184 - --
7-O-Acetyl-N-acetylneuraminate 350.108721 1.2749 M+Cl 122706640 - --
7-Methyluric acid 182.0439901 1.122 M+Na-2H 69160 C16355 ko00232
7-Methoxypradimicinone II 579.1376754 6.4656 M-H+NH3 441175 C06781 --
7-Hydroxylpradimicin A 856.2538275 7.5284 M-H-C3H2O3 441176 C06782 --
7-Hydroxyfluphenazine 453.1697825 11.2527 M+Cl 169490 - --
7-Hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-1-benzopyran-4-one 314.0790383 6.4667 M-H 6710647 - --
7-HYDROXY-7-DESACETOXYKHIVORINIC ACID,METHYL ESTER 536.2621477 6.3816 M+Cl - - --
7-Ethyl-10-hydroxycamptothecin 392.1372219 1.9709 M-H 104842 C11173 --
7-Dehydrologanin tetraacetate 556.1792059 1.3211 M-H-CO2 443349 - --
7-Chloro-3,4',5,6,8-pentamethoxyflavone 406.0819308 2.1806 M-H 101943859 - --
7-Chloro-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-3,5,6,8-tetramethoxychromen-4-one 438.0717601 3.0819 2M-2H+K 131839336 - --
7,8,8,12,13,21,22-heptahydroxy-19-(hydroxymethyl)-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraene-3,6,16-trione 498.0645701 2.1499 M-2H+Na 131833019 - --
7,13-Bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane 488.2270995 10.7612 M-H+NaCOOH 4536383 - --
7,13,14-trihydroxy-6-methoxy-4,12-dimethyl-5-(3-methylbut-2-enoyl)-10-oxo-2,9-dioxatricyclo[9.4.0.0(3),]pentadeca-1(15),3(8),4,6,11,13-hexaene-15-carbaldehyde 428.1107324 6.094 M+CH3COO 131839436 - --
6a, 3'-p-Dihydroxypaclitaxel 889.279314 6.2641 M+Cl 131769953 - --
6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 702.1584705 4.3515 M+Cl 131835520 - --
6-{[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 718.1533851 4.1684 M+Na-2H 131835513 - --
6-{[7,8,8,13,21,22-hexahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 674.0966581 7.3529 M-H 131833039 - --
6-{[6,15-dihydroxy-19,19-dimethyl-22-(3-methylbut-2-en-1-yl)-11-(2-methylprop-1-en-1-yl)-13-oxo-2,10,20-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(1)]docosa-1(14),3(12),4,6,8,15,17,21-octaen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 678.2312415 5.4748 M-H+NaCOOH 134159965 - --
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 624.1326497 2.8237 M-H 131833544 - --
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl(2E)-3-(4-hydroxyphenyl)prop-2-enoate 578.1424265 5.4595 M+K-2H - - --
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl(2E)-3-(4-hydroxyphenyl)prop-2-enoate 594.1373411 2.1961 M- - - --
6-{[5,14-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 514.1475118 4.0155 M+Cl 131838601 - --
6-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 518.1424265 4.3438 M-H 131835834 - --
6-{[3,7-dihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 884.2375088 6.2641 M-H 131833176 - --
6-{[3,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 546.1373411 4.675 M-H 131832479 - --
6-{[3,7-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)-6-methoxy-4-oxo-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 538.0958702 4.1076 M+Cl 131835077 - --
6-{[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 514.1475118 4.077 M-H 131838599 - --
6-{[3,5-dihydroxy-2-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 628.1639498 2.96 M+K-2H 131834057 - --
6-{[3,5-dihydroxy-2-(3-hydroxyphenyl)-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 884.2375088 5.2153 M+CH3COO 131833175 - --
6-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 738.1795999 3.9389 M+Na-2H 131838738 - --
6-{[2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 916.227338 3.234 M+K-2H 131833134 - --
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 594.122085 2.5637 M-H 131833652 - --
6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 618.122085 9.8189 M-H-C2H4 131834537 - --
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 752.1799939 4.4438 M-H 131833676 - --
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 756.1749085 8.0875 M-H 131833270 - --
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 625.1404747 4.6441 M- 131834320 - --
6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 595.12991 2.9537 M+HCOO 131834302 - --
6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-8-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 900.2324234 4.6747 M+CH3COO 131833148 - --
6-{[12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6-hydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 822.2636043 5.0625 M-2H+K 131838923 - --
6-{6-carboxy-2-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-3,4-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 666.0704434 8.8721 M-H-CH4 131834675 - --
6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 826.2836711 2.2728 M+Cl 131832696 - --
6-{5-[3-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2,3-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 698.1330437 7.4737 M-2H+K 131831753 - --
6-{5-[2,3-dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-3-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 540.1115203 5.6595 M-H 131835139 - --
6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 420.105647 4.9364 M+CH3COO 131834847 - --
6-{4-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 618.122085 5.0295 M+CH3COO 131834538 - --
6-{4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 628.1639498 3.5262 M+Cl 131836720 - --
6-{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 494.106041 1.3947 M+CH3COO 131832984 - --
6-{4-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 496.0853055 4.7821 M+Cl+NH3 131831789 - --
6-{4-[(1E)-3-{[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy}-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 550.1322557 8.8111 M+Cl+HCOOH 131831508 - --
6-{3-[8-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 702.1584705 7.1229 M-H2O-H 131835517 - --
6-{3-[6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 590.1271704 3.6645 M-H-C4H8 131833686 - --
6-{3-[3-(3,5-dihydroxyphenyl)-2-oxopropanoyl]-2,4,6-trihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 496.0853055 2.5336 M-H 131831847 - --
6-{3-[2,3-dioxo-3-(2,4,6-trihydroxyphenyl)propyl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 480.0903909 4.906 M+Na-2H 131831806 - --
6-{3,5-dihydroxy-4-methoxy-2-[3-(4-methoxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 492.1267764 4.3124 M+CH3COO 131834918 - --
6-{3,5-dihydroxy-4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 522.1373411 8.9351 M-H 131831456 - --
6-{3,5-dihydroxy-4-[2-(2-hydroxy-4-methoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 480.1267764 3.6186 M-H 131837676 - --
6-{3,5-dihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoyl]-4-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 524.1166057 4.5053 M-H 131835082 - --
6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-6-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 694.1897706 3.8632 M+Cl+NaCOOH 131832829 - --
6-{2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxy-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 732.2418062 7.1689 M-H+HCOOH 131832611 - --
6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-6-[3-(2,4-dihydroxyphenyl)propanoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 854.2785857 4.1684 M-H 131832815 - --
6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-6-[3-(2,4-dihydroxyphenyl)prop-2-enoyl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 852.2629356 5.3374 M-H+NaCOOH 131832808 - --
6-{1-carboxy-2-oxo-2-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]ethyl}-3,4,5-trihydroxyoxane-2-carboxylic acid 708.1537791 5.9855 M-H-COCH2 131836180 - --
6-beta-Hydroxy-mometasone furoate 536.1368589 4.6903 M-H 131769950 - --
6-[[8-(5,7-Dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 702.1584705 7.8226 M-H2O-H 131835516 - --
6-[[2-[4-[3-[4-Acetyloxy-3-hydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-2,3-dihydrochromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 768.211294 2.3804 M-H 131831501 - --
6-[[1,9-dihydroxy-2-(3-methylbut-2-enyl)-6H-[1]benzouro[3,2-c]chromen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 514.1475118 6.0474 M+F 131838600 - --
6-[6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 842.2785857 6.7721 M+Cl 131832709 - --
6-[6-[(2-Carboxyacetyl)oxymethyl]-2,4,5-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 442.0958702 2.3572 2M-H+Cl 131833829 - --
6-[6-(3,4-Dihydroxy-6-methyl-5-oxooxan-2-yl)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 620.1377351 2.0741 M-H 131833693 - --
6-[5-carboxy-2,4-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 514.0594847 2.7816 M+CH3COO 131834719 - --
6-[5-({[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 660.1173936 2.5186 M+F 131837087 - --
6-[5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 464.0954763 5.0758 2M-H 131837287 - --
6-[5-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 550.1322557 1.8892 M- 131831511 - --
6-[5,7-Dihydroxy-2-(4-hydroxy-3-sulooxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 558.0315554 0.8605 M+Cl 74978248 - --
6-[4-[7-[6-(Acetyloxymethyl)-3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 782.1905586 3.7716 M+Cl 131831876 - --
6-[4-[(E)-2-[4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl]ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 666.194856 6.1715 M-H 131832706 - --
6-[4-({[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 660.1173936 4.1609 M- 131837925 - --
6-[4-(Carboxymethyl)-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 360.0692615 1.7351 M-H-C3H2O3 68282278 - --
6-[4-(3-carboxyoxiran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 356.0743469 1.6891 M+F 131832293 - --
6-[4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 550.1322557 5.138 M-H 131831510 - --
6-[4-(1-cyclohexyltetrazol-5-yl)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butoxy]-3,4-dihydro-1H-quinolin-2-one 530.2641537 5.0061 M+Cl+HCOOH 131668291 - --
6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-5-olate 593.1506455 7.3069 M+Cl 25202480 - --
6-[4,5-dihydroxy-2-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 494.0696555 1.7965 M-H 131834519 - --
6-[3-(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 962.2633296 6.033 M-H 131838725 - --
6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol 816.2418062 8.5818 M-H 131838703 - --
6-[3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 848.2316355 7.3626 M-H 131838672 - --
6-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 818.2210708 7.2915 M-H 131838659 - --
6-[3,5-Dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 546.1373411 3.6951 M-H 131832478 - --
6-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one 476.1318618 3.9693 M-H 131839405 - --
6-[2-ethyl-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 478.1475118 5.0781 M+Na-2H 131834217 - --
6-[2-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 666.194856 5.2 M-H 131832705 - --
6-[2-[5,7-Dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]-4,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 802.1803878 4.8906 M-H 131833367 - --
6-[2-(acetyloxy)-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 578.1635559 1.2596 M+CH3COO 131835388 - --
6-[2-(8,8-Dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 526.1475118 5.49 M-H-C2H4 131839228 - --
6-[2-(4-Carboxybut-2-enyl)-3-hydroxy-5-oxocyclopentyl]-4-oxohexanoic acid 326.1365532 8.9779 M-H 73717604 - --
6-[1-(3,4-dimethoxyphenyl)-2-{[3-(3,4-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 563.2002757 2.3649 M-H-COCH2 131839064 - --
6-[1-(3,4-dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 502.1111263 2.5036 M-H 131835640 - --
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(6-hydroxy-4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 530.106041 4.7513 M-H 131835635 - --
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 514.1111263 4.5514 M+Cl+NH3 131835630 - --
6-[1-(2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid 500.0954763 5.5745 M-H 131835637 - --
6-[(6,7-Dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxybenzoic acid 372.1447126 8.6423 M+Cl 5318976 - --
6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 610.1169996 1.812 M-H2O-H 131836773 - --
6-[(3-formyl-1-oxo-1H-isochromen-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 366.0586968 1.1828 M+CH3COO 131834935 - --
6-[(3-Aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5h-thieno[2',3':4,5]pyrrolo[2,3-d]pyridazin-5-one 372.0714672 3.2187 M+Cl 44246499 - --
6-Nitrochrysene 273.0789786 8.1856 M-H 24121 C19271 --
6-N,4-diphenyl-1,4-dihydro-1,3,5-triazine-2,6-diamine 265.1327455 1.9202 M- 220400 - --
6-Methyl-griseofulvin 336.0764515 4.2437 2M-H 131770040 - --
6-Methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 354.0950823 2.3187 2M-H 346340 - --
6-Hydroxyluteolin 7-O-(6'''-O-(E)-caffeoyl)-beta-glucopyranoside 626.1271704 3.2954 M+Cl 21576580 - --
6-Hydroxycyclohex-1-ene-1-carboxyl-CoA 891.1676396 3.8479 M+Cl+NH3 441162 C06749 ko01100
6-Chloro-4,5,7-trihydroxy-9,10-dihydro-9,10-dioxoanthracene-2-carboxylic acid 333.9880304 0.5669 M+Cl+HCOOH 38350655 - --
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide 248.0716408 4.9673 2M-H 5113032 - --
6-Caffeoylsucrose 504.1479058 1.2289 M+F 131751779 - --
6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 734.1482998 2.7778 M+Cl 131835492 - --
6-({8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-2-(3,4-dihydroxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 896.2011233 2.7092 M-2H+Na 131835484 - --
6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 706.1897706 4.2437 M-H 131838798 - --
6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 722.1846853 2.5336 M+Cl 131838761 - --
6-({6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 962.2633296 4.9517 M-H 131838724 - --
6-({5,7-dihydroxy-4-oxo-2-phenyl-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 608.1377351 4.0283 M-H 131833558 - --
6-({3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 734.1482998 6.9329 M+Cl+NH3 131835497 - --
6-({3-[(1E)-but-1-en-1-yl]-1-oxo-1H-isochromen-6-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 392.1107324 5.2457 M+CH3COO 131836243 - --
6-({3,7-dihydroxy-2-[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 660.1690352 8.0045 M-H 131835040 - --
6-({3,5-dihydroxy-2-[3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 660.1690352 4.4438 M+K-2H 131835041 - --
6-({3,5-dihydroxy-2-[3-hydroxy-10-(3-methoxyphenyl)-2-oxo-4-oxatricyclo[4.3.1.0(3),]decan-8-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 644.1741206 4.9212 M-H 131835046 - --
6-({2-[4-ethyl-3-(sulfooxy)phenyl]-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 558.1043264 0.6435 M-H+NaCOOH 131834256 - --
6-({2-[(2-{[3-(3,4-dimethoxyphenyl)-7-methoxy-8-methyl-4-oxo-4H-chromen-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-methyloxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 826.2531588 2.3726 M-H 131835824 - --
6-({2,6-dihydroxy-2-[(3-hydroxyphenyl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 464.0954763 4.6132 2M-H 131837464 - --
6-({13,14-dimethoxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 488.0954763 2.0891 M-H+NaCOOH 131834800 - --
6-({13,14-dihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 460.0641761 4.0924 M-H+CF3COOH 131834823 - --
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 530.106041 6.6035 M-H 131835172 - --
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 532.121691 8.8721 M+Cl 131835192 - --
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 532.121691 8.5518 M+CH3COO 131835189 - --
6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-16-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 532.121691 8.8721 M-H 131835190 - --
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 621.1670006 3.5262 M-H+HCOOH 53481019 C01288 --
6-(5-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 802.1803878 5.815 M-H 131833369 - --
6-(4-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 734.1482998 5.1613 M-H 131835493 - --
6-(4-{7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-4-oxo-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 740.1799939 4.0693 M+Cl 131831880 - --
6-(4-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 772.2062086 8.2313 M+Na-2H 131833244 - --
6-(4-Bromo-2,5-dimethoxyphenyl)-5-nitropiperidin-2-one 358.0164328 8.2313 M-H 2906368 - --
6-(4,5-dihydroxy-2-{5-hydroxy-7-methoxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 654.1432144 8.1732 M-H 131834886 - --
6-(3-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 978.2582442 4.3206 M-H 131838696 - --
6-(3-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 722.1846853 4.1833 M-H 131838772 - --
6-(3-{6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 962.2633296 6.3107 M-H 131838722 - --
6-(3-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 740.1799939 4.0001 M-H 131833292 - --
6-(3-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 900.2324234 3.1881 M-H 131833146 - --
6-(3-Ethenylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 296.089603 1.1828 M+HCOO 131831542 - --
6-(2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-3-hydroxy-5-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 892.3306213 4.9212 M+Cl 131832605 - --
6-(2-{5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl}-4,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 772.1698231 2.7931 M-H 131833279 - --
6-(2-carboxy-3,5-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 346.0536114 3.5107 2M-H 131831693 - --
6-(2-Carboxyacetyl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 280.0430467 3.8933 2M-2H+K 77381530 - --
6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carboxylic acid 490.162768 8.9932 M-H 131832684 - --
6-(2,4-dihydroxyphenyl)-2-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-4-methylcyclohex-3-ene-1-carboxylic acid 518.1576826 8.19 M-H 131832802 - --
6-(2,4-dihydroxy-5-{5-hydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[3,2-g]chromen-2-yl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid 544.121691 3.6951 M-H 131833792 - --
6-((2-((4-(2,4-Dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)amino)nicotinonitrile 464.1031481 7.8474 M-H2O-H 9956119 - --
6,8-bis[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 848.2316355 7.6401 M-H 131838670 - --
6,8-bis[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 818.2210708 7.5643 M-H 131838657 - --
6,7-Dimethyl-8-(2,3,4,5-tetrahydroxypentyl)pteridine-2,4-dione 326.1226344 1.1524 M-H-CO 672 - --
6,11-Dihydroxy-10-[[1,2-dihydro-5,9,10-trihydroxy-2alpha-(1-hydroxy-1-methylethyl)-6-oxo-6H-furo[2,3-c]xanthene-1alpha-yl]oxy]-3,3-dimethyl-3H,7H-pyrano[2,3-c]xanthene-7-one 668.1529912 4.7438 2M-H+Cl 100926863 - --
6'-Oxogentamicin X2 480.2431436 5.6595 M+Cl 121231426 C21267 ko00524,ko01110
6'-O-P-Coumaroylgenipin gentiobioside 696.2265501 4.5053 M+Cl 6324973 - --
6'-Methoxycinchonan-9-ol 324.1837781 5.5587 M+Cl+NaCOOH 1065 - --
6''-O-Carbamoylkanamycin A 527.2438719 4.8285 M-H-CH3 71464585 C20699 ko00524,ko01110
6''-Malonylcosmosiin 518.106041 5.4748 M-H 5856141 - --
6'''-Hydroxyparomomycin 620.3116171 0.8003 M-H-CH2 90658393 - --
5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B 572.2257622 6.1033 M-H 131750889 - --
5a-Dihydrotestosterone sulfate 370.1813949 3.5571 M+Cl 18665256 - --
5a,11a-Dehydrooxytetracycline 458.1325304 2.5789 M-H 54726726 C18296 ko01100,ko01110
5a,11a-Dehydrochlortetracycline 476.0986435 7.032 M-H 54726727 C18298 --
5-{[(4-Chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid 365.012471 2.3338 M-H 7312251 - --
5-{6-hydroxy-4-[(E)-2-{3-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-1-benzofuran-5-yl}ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 888.2570623 5.8552 M-H+HCOOH 131832096 - --
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-7-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 874.2777978 6.0494 M-H 131838090 - --
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-2,3-dihydro-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 858.2828831 7.4737 M-H 131837970 - --
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-phenyl-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 856.2672331 7.5037 M-H 131832120 - --
5-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-phenyl-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}benzene-1,3-diol 888.2570623 5.894 M-H 131832098 - --
5-trans-3-oxo-dodecenoyl-CoA 957.2145898 3.7868 M-H+NH3 90658857 - --
5-methyl-4-oxo-2-(2-oxopropyl)-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-olate 393.1185574 1.1524 M+Cl 44237353 - --
5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one 478.1111263 4.6441 M-H 131834876 - --
5-hydroxy-6,7-dimethoxy-2-[3-methoxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one 506.1424265 4.6161 2M-H+Cl 11972310 - --
5-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 742.2320294 8.3862 M-H 25080021 - --
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(-L-rhamnopyranosyl)-beta-D-glucopyranoside 578.1635559 3.9541 M+F 45479322 - --
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 476.1318618 5.9545 M-H 44258381 - --
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one 446.1212971 4.2586 M-H 131833616 - --
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one 640.1639498 7.4287 M-H 5323537 - --
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 492.1267764 4.3977 M+Na-2H 44258267 - --
5-fluoroindole-2-carboxylic acid 179.0382567 3.2646 2M-H 1820 - --
5-cis-15(R)-Iloprost 360.2300596 10.5323 M-H 13066907 - --
5-[[(5S)-5,6,7,8-Tetrahydro-5alpha,7beta,8alpha-trihydroxy-4-oxo-2-phenethyl-4H-1-benzopyran]-6beta-yloxy]-8-[[(5S)-5,6,7,8-tetrahydro-6beta,7beta,8alpha-trihydroxy-4-oxo-2-phenethyl-4H-1-benzopyran]-5alpha-yloxy]-2-phenethyl-4H-1-benzopyran-4-one 882.2887564 6.3262 M+Cl 21768737 - --
5-[[(2R,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid 352.1369471 3.1803 M-H 129009004 - --
5-[6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carbonyl]-3-[(1E)-3-methylbut-1-en-1-yl]benzene-1,2,4-triol 532.2097182 9.6382 M-H 131832910 - --
5-[4-(5-{2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-1,2-dihydroxyethenyl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol 938.2574563 4.6441 M-H+HCOOH 131837945 - --
5-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione 324.0779924 4.2284 3M-2H+Na 2591 - --
5-[(pyridin-3-ylmethyl)sulfanyl]-1H-1,2,4-triazol-3-amine 207.057866 3.0819 M+Cl+HCOOH 4387864 - --
5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfanyloxan-2-yl]oxy-2,3,8,12b-tetrahydroxy-3-methyl-4a-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione 728.1622353 6.334 M+Cl 75368815 - --
5-[(1R,3R)-1-oxodithiolan-3-yl]pentanoic acid 222.0384358 1.1828 M-H 15939353 - --
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)- 396.0449777 8.0273 M+F 9802116 - --
5-Oxoavermectin''1a'' aglycone 582.3192687 8.1567 M-H 11953988 - --
5-Nitro-2-(3-phenylpropylamino)benzoic acid 300.1110071 6.9433 2M-H 4549 C13705 --
5-Methyl-5-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]imidazolidine-2,4-dione 334.1065904 4.9828 M-H-CO2 136089106 - --
5-Hydroxythalidomide 274.0589715 1.8042 3M-H 5743568 - --
5-Hydroxypseudobaptigenin 298.0477381 5.5051 M-H 15301053 C19727 ko00943
5-Hydroxyindomethacin 343.0611357 2.1345 M+Cl+CF3COOH 159665 - --
5-Hydroxyferulate 209.0449985 2.6251 M-H 54740354 - --
5-Hydroxy-4-methoxy-5-(1-methylethenyl)-2-furanone 170.0579089 4.2591 M+F 4728 - --
5-Fluorouridine 262.0601144 7.9141 2M-H 9427 C16633 --
5-Deoxyleucopelargonidin 274.0841236 3.9541 M-H 13886897 - --
5-Chloro-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one 251.0825398 1.1373 2M-H 104607 - --
5-Acetylamino-6-formylamino-3-methyluracil 226.0702049 6.6955 2M-H 108214 C16365 ko00232,ko01100,ko01110
5-Acetoxy-7-[(6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy]-4',6-dimethoxyflavone 664.2003353 5.3071 M-H 5316019 - --
5-(6-hydroxy-4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-phenyl-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl)benzene-1,3-diol 856.2672331 6.527 M+CH3COO 131832118 - --
5-(5-(2,6-Dichloro-4-(4,5-Dihydro-2-Oxazoly)phenoxy)pentyl)-3-Methyl Isoxazole 382.085098 6.5116 M+Cl 441048 C06493 --
5-(4-hydroxy-3-methoxyphenyl)-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 846.2159854 6.8181 M-H 131832408 - --
5-(3,5-Di-sec-butylcyclopent-1-enyl)-5-hydroxy-3-oxovaleric acid 310.2144096 7.0471 M+Cl 103739 - --
5-(3,5-Di-sec-butylcyclopent-1-enyl)-2,3,5-trihydroxyvaleric acid 328.2249743 5.5587 M-2H+Na 92772 - --
5-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-13-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 878.2058147 2.8084 M+HCOO 131832393 - --
5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene 334.0333504 2.4887 M-H2O-H 440404 C04606 --
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone-O-sulphate-O-methyl 302.0460236 3.0666 2M-H 124202097 - --
5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-4'-O-sulphate 304.0252882 2.7016 M-H 124202075 - --
5,7-dihydroxy-6-methoxy-3-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 334.0688675 3.7257 2M-H 131831620 - --
5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one 596.1377351 4.7361 M-H 131833265 - --
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-[(2R,3S,4S,6S)-4-hydroxy-6-methyl-5-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one 590.1635559 3.5416 M-H 101427463 - --
5,7-dihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 458.0849116 5.0758 M-H2O-H 131834526 - --
5,7-dihydroxy-2-(1-hydroxy-3,5-dimethoxy-4-oxocyclohex-2-en-1-yl)-4H-chromen-4-one 348.0845176 4.675 M-H 131834559 - --
5,7-Dihydroxy-8-[2-methoxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one 564.1420325 0.8454 M-H+HCOOH 5321185 - --
5,7-Dihydroxy-8-[2-hydroxy-5-(7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one 536.1107324 3.4953 3M-H+Cl 5321275 - --
5,7-Dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-8-methoxychromen-4-one 360.0845176 4.0001 M-H 101914766 - --
5,7,3'-Trihydroxyisoflavone 270.0528235 7.9292 M-H 9795414 - --
5,14-bis(acetyloxy)-4-hydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2,4,6,11,13,15-heptaen-13-yl acetate 426.0586968 2.1961 2M+Cl 131834744 - --
5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 846.2159854 5.9855 M-H 131832415 - --
5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 816.2054207 8.2008 M-H 131832388 - --
5,13-bis(3,4-dihydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 848.19525 3.418 M-H 131832383 - --
5,13,14,15-tetrahydroxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-9-one 300.0270027 5.1535 M-H 131834781 - --
5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan 662.2363269 3.036 M+Cl 75072287 - --
5''-Phosphoribosylparomamine 535.17784 11.0228 M+Cl 90658880 C21260 ko00524,ko01110
4S,5R-antillatoxin A 503.3359217 7.6249 M+Cl 10029084 - --
4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)- 416.1107324 4.906 M- 4183640 - --
4H,5aH,9H-Furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione, 9-(1,1-dimethylethyl)-10,10a-dihydro-8,9-dihydroxy-, (3aS,5aR,8R,8aS,9R,10aS)- 326.1001677 3.0207 2M-2H+Na 545839 - --
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-phenyl-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol 856.2672331 5.4164 M-H-CH4 131832111 - --
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol 874.2777978 2.3034 M-H+NaCOOH 131837951 - --
4-{5-[(E)-2-[6-hydroxy-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-1-benzofuran-3-yl}-3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-ol 872.2621477 3.7716 M+Cl+NaCOOH 131832101 - --
4-methoxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenoxy]benzaldehyde 606.2366016 3.9389 M-H+CF3COOH 389057 - --
4-hydroxy-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-3,5-diene-1,2-dione 712.543061 0.3394 M+Cl+NaCOOH 5280837 - --
4-hydroxy Nonenal Mercapturic Acid-d3 322.1641746 3.6951 M-H - - --
4-ene-Valproic acid CoA 891.2040251 2.2728 M+F 131769943 - --
4-azaniumyl-5-[[1-(carboxylatomethylamino)-3-(1H-indol-3-ylmethylcarbamothioylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoate 494.1168 4.9828 M-H 44237244 - --
4-[[3-O,6-O-Bis[1-oxo-3-(1-hydroxy-4-oxo-2,5-cyclohexadienyl)-2-propenyl]-beta-D-glucopyranosyl]oxy]phenol 596.1529912 5.0139 M-H 24096427 - --
4-[[(4-Fluorophenyl)sulfonylamino]methyl]-~{n}-(Pyridin-3-Ylmethyl)benzamide 399.1052904 6.8641 M-H-C4H8 5165428 - --
4-[5-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]aniline 296.1095673 1.7504 3M+2Cl 839696 - --
4-[4-(Benzyloxy)phenyl]-2-chlorobenzonitrile 319.0763918 5.3374 3M-2H+K 70699637 - --
4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methylidene-4-oxobutanoate 874.0921289 0.7852 M-H 25202600 - --
4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 754.2109 5.0217 M+Cl 131833201 - --
4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxy-3-methoxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 754.2109 4.4132 M-H 131833144 - --
4-[11-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),4,6,9,11-pentaen-3-ylidene]cyclohexa-2,5-dien-1-ylidene hydrogen sulfuric acidium 689.1176308 0.7852 M-H-C6H10O4 131838536 - --
4-[(E)-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one 548.2468916 4.2591 M-H-CH3 129008966 - --
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-1,7-dihydroxy-2,3,5-trioxabicyclo[2.2.2]oct-7-en-6-one 293.0297424 1.8892 M+Cl+CF3COOH 131841608 - --
4-[(3R,6S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 392.2926599 11.4368 M+Cl+HCOOH 6747 - --
4-[(2-aminoacetyl)amino]-N-(2,6-dimethylphenyl)benzamide 297.1477269 3.0207 M+Cl 443226 - --
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- 365.1045415 6.8028 2M-H 135920 - --
4-Quinolone-3-Carboxamide CB2 Ligand 422.2569431 5.7062 M-H 53387189 - --
4-Oxooctadeca-9,11,13-trienoic acid 292.2038449 8.7038 M-2H+Na 101804 - --
4-O-acetyl-UDP-N-acetylglucosamine 647.0764853 0.5976 M-H-NH3 90657188 - --
4-O-Methylgallic acid 184.0371734 2.6502 M-H 78016 - --
4-Nitrophenyl phosphate 218.993274 0.9992 M+Cl+NH3 378 C03360 --
4-Methylthiobutylthiohydroximate 165.0282054 2.8839 M-H+CH3CN 25202476 C17243 | C21871 --
4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid 398.1212971 2.227 M+CH3COO 10250244 - --
4-Ketocyclophosphamide 274.0040848 1.0291 3M-2H+Na 33676 C07644 --
4-Hydroxytriazolam 358.0388165 5.815 M-H 128260 - --
4-Hydroxytamoxifen-N-glucuronide 551.2155318 2.8237 M-H-NH3 131770035 - --
4-Hydroxyphenytoin glucuronide 444.1168804 7.8529 M-H 135250 - --
4-Hydroxyalprazolam 324.0777888 2.6377 M+CH3COO 182017 - --
4-Hydroxy-L-glutamic acid 163.0480725 6.8181 M-H+CH3CN 439902 C03079 --
4-Hydroxy-6-methylpretetramide(1-) 380.0770269 7.5339 M-2H+Na 121232727 - --
4-Hydroxy-5-(3',5'-dihydroxyphenyl)-valeric acid-O-glucuronide 402.1162117 2.036 M-H 124202070 - --
4-Fluorobenzoic acid 140.0273577 5.5356 M+Cl 9973 C02371 ko01100
4-Dodecylbenzenesulfonic acid 326.1915656 0.3394 M-H 8485 - --
4-Deoxy-4-thio-alpha-D-digitoxosyl-calicheamicin T0 730.1358431 2.4268 M+Cl 122707146 C21339 ko01100,ko01110
4-Coumaryl-4-coumarate 296.1048591 5.3981 M+Cl 12362486 - --
4-Coumaroylshikimate 320.089603 3.4644 2M-H 5280555 C02947 ko00940,ko00941,ko00945,ko01100,ko01110
4-Chlorobenzenesulfonylurea 233.9865906 0.754 M-2H+K 89785 - --
4-Chloro-L-phenylalanine 199.0400063 2.3958 M-H 4652 - --
4-Bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline 334.0128453 6.0088 M+Cl 70699817 - --
4-Benzoyloxybutylglucosinolate 494.0790772 7.4062 M-H-CO2 46173484 - --
4-Amino-2-hydroxy-5-[[1-hydroxy-1-(2-oxo-1-bicyclo[4.1.0]hept-3-enyl)propan-2-yl]amino]-5-oxopentanoic acid 326.1477866 9.9839 M+Cl 56773919 - --
4-(phosphooxy)pentanoyl-CoA 941.0870203 1.1373 M-H-C6H8O6 131841583 - --
4-(beta-D-glucosyloxy)benzoic acid 300.0845176 6.6648 M+Na-2H 440186 C03993 ko00130
4-(beta-D-Glucopyranosyloxy)-1-naphthol 322.105253 5.6907 2M+Cl 101728056 - --
4-(Sulfooxy)benzeneacrylic acid alpha-methyl ester 258.0198088 3.1881 M+Cl 102354831 - --
4-(Piperidin-1-YL)-8-(trifluoromethyl)quinoline 280.1187332 7.1689 M+Cl+CF3COOH 46738700 - --
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-[4-(2H-tetrazol-5-yl)butyl]-piperidine 397.226646 5.6907 M+CH3COO 11741525 - --
4-(5-O-phospho-beta-D-ribofuranosyl)phenol 306.0504546 9.0547 M+CH3COO 54213352 C21107 ko00790
4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide 384.1222405 4.906 M-H 4521392 - --
4-(3-Pyridyl)-3-butenoate 162.0555035 3.4798 M-H 23615293 - --
4-(3-Oxo-1-butenyl)-2,6-dimethoxyphenyl beta-D-glucopyranoside 384.1420325 7.9742 M+Cl 10667707 - --
4-(3,4-dihydroxyphenyl)-9-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-2-one 628.1792059 7.9894 M+CH3COO 131831437 - --
4-((1E)-3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside 486.1737266 7.9442 M-H - - --
4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one 365.0221634 0.5678 M-H2O-H 44632017 - --
4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydro-9-anthracenyl hexopyranoside 434.1212971 2.5278 M+Cl - - --
4,5-Dihydro-drospirenone-3-sulfate 434.212695 4.3668 M-H 131770037 - --
4,5-Chrysenedicarboxylate 316.0735589 4.8285 M+K-2H 9543340 C18277 --
4,5,7,12-Tetrahydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid 378.1314678 5.3071 M-H 14833714 - --
4,4-Bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid 498.1162117 4.3515 M+Cl+HCOOH 23958194 - --
4,4'-Sulfonyldiphenol 250.0299796 3.1425 M+Cl 6626 C14216 --
4,4'-Difluorobiphenyl-2,2'-dicarboxylic acid 278.0390652 5.0007 M-H+CF3COOH 53216605 - --
4,4',7'-Trimethoxy-1,1'-biphenanthrene-2,2',7-triol 492.1572886 0.9149 M+Cl+CF3COOH 11533293 - --
4'-Methyl-epigallocatechin-7-glucuronide 496.121691 0.7141 M-H 76966715 - --
4'-Hydroxyflavanone 240.0786443 4.906 M-H 165506 C19896 --
4',6'-Dimethoxy-4-fluoro-2'-hydroxychalcone 302.0954373 1.8969 2M-H 5816456 - --
4',6'-Dimethoxy-2'-hydroxy-3-nitrochalcone 329.0899373 1.812 M+Cl+NaCOOH 6063903 - --
4',5,5''-Trihydroxy-4''',7''-dimethoxy-7-(beta-D-glucopyranosyloxy)-8,3'''-biflavone 728.1741206 5.2305 M-H+CF3COOH 11542224 - --
4',4''-Dimethylepigallocatechin gallate 486.1162117 1.2289 M-H 23583136 - --
4',4''-Dihydroxyanigorootin 606.1314678 3.9631 M-H 22297174 - --
4''-Methylepigallocatechin gallate 472.1005616 4.5668 2M-H 401129 - --
3V[E,M]-bacteriochlorophyllide d 554.2168332 10.9537 M+Cl 122706159 - --
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-{[hydroxy(4-oxocyclohexa-2,5-dien-1-ylidene)methoxy]methyl}oxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambdachromen-1-ylium 893.2351631 4.2654 M+Cl+HCOOH - - --
3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid 207.0643912 3.1881 M+Cl+NH3 198292 - --
3-{2-[2-(Phenylimino)ethylidene]-1,3-thiazolidin-3-yl}propane-1-sulfonic acid 326.0758839 5.5203 M-H-CO2 4271198 - --
3-sulfinopropionyl-CoA 887.1033248 1.6354 M+Cl+NaCOOH 86289537 C20987 --
3-p-Coumaroylquinic acid 338.1001677 1.7504 M+CH3COO 9945785 - --
3-oxopimelyl-CoA 923.1574689 3.234 M+Cl+NH3 441147 C06715 ko01100
3-oxo-3-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]propanoic acid 280.0794322 1.3978 2M-2H+Na 5319243 - --
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[5-hydroxy-7-oxo-2-(3,4,5-trihydroxyphenyl)chromen-3-yl]oxyoxan-2-yl]methoxy]propanoate 549.0880452 4.7821 M-2H+Na 25244104 - --
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoate 515.1189514 3.7104 M-H-CO 25244334 - --
3-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol 338.1518093 2.227 M-H+NaCOOH 1680 - --
3-hydroxybenzoic acid-3-O-sulphate 217.9885087 2.5579 M-H 21126437 - --
3-hydroxy-7-sulfino-2-[3-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-5-olate 402.0079236 5.0913 M-H 131834298 - --
3-hydroxy-20-oxopregn-5-en-17-yl sulfate 412.1919596 4.3051 M+F - - --
3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid 318.0351985 3.4025 M-H-CO 15942880 C04478 ko01100,ko01250
3-cis, 5-trans-dodecadienoyl-CoA 941.2196752 2.3649 M-H 90657300 - --
3-beta-D-galactosyl-sn-glycerol 254.1001677 8.3079 M-H2O-H 16048618 C05401 ko00052,ko00561
3-benzyl-3,6-bis(cysteinylglycine)-6-(hydroxymethyl)-DKP 586.1515681 2.0891 M-H-CO 90657130 - --
3-[[(6aR,9R,10aR)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carbonyl]-(ethylcarbamoyl)amino]-N,N-dimethylpropan-1-amine oxide 467.2896402 4.9673 M+Cl+NaCOOH 71314472 - --
3-[7-(3,4-dihydroxyphenyl)-4-hydroxy-5-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8H-naphthalen-1-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 714.1584705 3.0054 M-H 5315333 - --
3-[7,8,12,17-Tetrakis(2-carboxyethyl)-13,18-bis(carboxymethyl)-3-methyl-22,23-dihydroporphyrin-2-yl]propanoic acid 800.2541022 8.065 M-H2O-H 53477738 - --
3-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one 556.1369471 7.3222 M+CH3COO 131835515 - --
3-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one 526.1263824 2.8237 M-H 131835483 - --
3-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 542.1212971 5.138 M+CH3COO 131835481 - --
3-[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate 247.097034 2.227 M+Cl+CF3COOH 71627171 - --
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-2,4,5-trihydroxybenzoic acid 490.0383553 3.8174 M-H 131834646 - --
3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione 402.0950823 2.9903 M+Na-2H 4483894 - --
3-[2-[3-[[4-[[[5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxopropanoate 848.0764788 1.6277 M+Cl+NH3 25246281 - --
3-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-5,7-dihydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one 542.1212971 5.8771 M+CH3COO 131835482 - --
3-[({4-[4-({[1-(2-Chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid 474.1016204 4.5823 M+F 10367662 - --
3-[(E)-4-Chlorobenzylidene]-5-phenylfuran-2(3H)-one 282.0447574 2.4268 M-H+HCOOH 1551570 - --
3-[(3S,7S,8S,9R,10Z,12S,13S,15Z,18S,19Z)-7,12-bis(2-amino-2-oxoethyl)-8,13,18-tris(2-carboxylatoethyl)-3,17-bis(carboxylatomethyl)-7,12-dimethyl-3,4,5,8,9,13,17,18-octahydro-2H-porphyrin-24-id-2-yl]propanoate 917.2503717 2.4268 M-H-CO2 44229105 - --
3-[(2Z,3S,4S,5Z)-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-2-[(5Z)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-[methoxy(oxido)methylidene]-3-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[b]pyrrol-6-ylidene]-4-methylpyrrolidin-3-yl]propanoate 626.2740497 8.6423 M-H 25244455 - --
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 916.2848529 6.1715 M-H-CH2 51136511 - --
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxychromen-4-one 800.2375088 2.0129 M+Cl 51136513 - --
3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one 632.2105061 4.844 M+Cl 5318413 - --
3-[(1R,2S,3S,4Z,7S,17R)-1-acetyl-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-2,7,11,17-tetramethyl-3,10,15,21-tetrahydrocorrin-3-yl]propanoate 914.2857963 2.2728 M-H 25246147 - --
3-[(1R,2S,3S,4Z,7S,14Z,17R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,21,23-tetrahydrocorrin-23-ium-3-yl]propanoate 887.2987067 8.095 M-H 25245479 - --
3-[(1R,2S,3S,4Z,7S,11S,17R,18R,19R)-8,13,17-tris(2-carboxylatoethyl)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-3,10,15,18,19,21-hexahydrocorrin-3-yl]propanoate 888.3065318 3.2187 M-H 90657152 - --
3-[(15S,17Z,19S,20S)-5,9,14-tris(2-carboxylatoethyl)-4,10,15-tris(carboxylatomethyl)-2-hydroxy-2,15,20-trimethyl-22-oxo-23-oxa-24,25,26,27-tetrazahexacyclo[16.5.1.13,6.18,11.113,16.01,20]heptacosa-3,5,8,10,13,16(25),17-heptaen-19-yl]propanoate 887.2623212 4.0463 M-H-NH3 25245266 - --
3-Pyridinemethanol 109.0527639 1.1373 M-H 7510 - --
3-Palmitoyl-sn-glycerol 330.2770099 11.0841 M+Cl 14900 - --
3-Oxododecanoic acid 214.1568947 6.0165 M-H 439717 C02367 --
3-O-beta-D-Glucopyranosyl-1-deoxy-L-erythritol 268.1158177 3.7677 M-H+NH3 21579144 - --
3-O-b-D-Galactopyranosylproanthocyanidin A5' 738.1795999 3.7868 M-H-COCH2 14841172 - --
3-O-[b-D-Apiofuranosyl-(1-2)-[b-D-glucopyranosyl-( 802.2167733 6.1868 M-H 75411897 - --
3-O-(6-O-alpha-D-xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose 554.1248014 1.1449 M- 49859674 C19774 --
3-O,5-O-Digalloyl-D-galacto-hexaric acid 1,4-lactone 496.04892 4.5053 M+Cl 10601311 - --
3-Nitrobenzanthrone 275.0582432 5.8615 2M-H 2825690 - --
3-Methylphenylitaconyl-CoA 964.1390791 3.8632 M-H-C2H4 90658501 - --
3-Methylpentane 86.10955049 4.3283 M+Cl+CF3COOH 7282 - --
3-Methylbenzylsuccinyl-CoA 966.1547292 7.3529 M-H 90658008 - --
3-Methyl-1-hydroxybutyl-ThPP 511.1181338 4.0616 M+Cl+NH3 23724625 C15974 ko00280
3-Isobutyl-1-methylxanthine 222.1116758 1.8362 M+CH3COO 3758 C13708 --
3-Hydroxybutane-1,2,3-tricarboxylic acid 206.0426528 1.2134 M+Cl 513 C04593 ko00640,ko01100
3-Hydroxybenzo(a)pyrene 268.0888151 2.9751 M+CH3COO 25890 C14461 --
3-Hydroxy-L-tyrosyl-AMP 526.1213281 1.8892 M-H+HCOOH 443217 C11462 --
3-Hydroxy-5-oxohexanoyl-CoA 895.1625542 0.8461 M-H-C6H10O4 9543236 - --
3-Furancarboxylic acid (3S,10R)-2,2,9beta-trimethyl-4alpha,5beta,7beta,8alpha-tetraacetoxy-5abeta-(acetoxymethyl)-10-hydroxy-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzoxepin-6beta-yl ester 638.2210708 3.1122 M-H 11331153 - --
3-Demethylubiquinol-6 578.4335106 10.5323 M-H 25246205 - --
3-Decaprenyl-4,5-dihydroxybenzoic acid 834.6526115 0.7301 M+Cl 25010746 - --
3-Carboxy-1-hydroxypropylthiamine diphosphate 527.0766629 5.0758 M-H 440649 C05381 ko00020
3-Benzyl-3,6-disulfanyl-6-(hydroxymethyl)-diketopiperazine 298.0445838 5.4976 2M-H 90658023 - --
3-Benzyl-3,6-bis(cysteinyl)-6-(hydroxymethyl)-diketopiperazine 472.1086407 2.0741 M-H-CH3 90658656 - --
3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate 294.1215718 2.6251 M+Cl 44355849 - --
3-ADP-2-phosphoglyceric acid 595.0117908 1.6124 M+Cl 440083 C03673 --
3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-2-(4-hydroxyphenyl)-7-oxidochromenium-5-yl 4,6-bis-O-(carboxylatoacetyl)-beta-D-glucopyranoside 926.1753025 2.3649 M-H-CH2 70698319 - --
3-(phosphoacetamido)-L-alanine 242.0303878 1.7658 M+Cl 440227 C04111 --
3-(O-beta-glucosyl)-dioxindole-3-acetyl-aspartic acid 482.1172743 4.3668 2M-2H+Na 126961162 - --
3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 302.0790383 3.4644 2M-H 131833839 - --
3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoic acid 234.0528235 4.5053 M+Cl 131835628 - --
3-(4-hydroxy-3-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 318.0739529 4.0759 M-H 131831949 - --
3-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose 379.1114607 2.0891 M-H-C3H2O3 440484 C04794 --
3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 288.0633882 4.2744 M-H 123582686 - --
3-(4-Hydroxy-3-sulooxyphenyl)-2-oxopropanoic acid 275.993988 0.9915 M-3H 131831953 - --
3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid 194.0579089 2.059 M-H-CO 709 - --
3-(4-Hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl)-2-(4-oxoquinazolin-3-yl)propanoic acid 434.1590199 10.7919 M+Cl 45359180 - --
3-(3-methoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)prop-2-en-1-one 302.0790383 7.3222 2M-H 131836493 - --
3-(3-hydroxyphenyl)-2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1-benzofuran-6-ol 406.1568947 3.3566 M-H 131835443 - --
3-(3-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 288.0633882 2.663 2M-H 131831888 - --
3-(3-hydroxy-5-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 318.0739529 4.077 2M-H 131832924 - --
3-(3,5-dimethoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)prop-2-en-1-one 332.089603 6.396 2M-H 131834552 - --
3-(3,4-dihydroxy-5-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propane-1,2-dione 334.0688675 2.9564 2M-H 131832921 - --
3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione 370.0275831 5.9855 M-H 176158 - --
3-(1H-Benzimidazol-2-YL)-1H-indazole 234.0905464 3.418 M-H 135464491 - --
3,7-Bis(alpha-L-rhamnopyranosyloxy)-4',5-dihydroxy-8-prenylflavone 646.2261562 5.5203 M-2H+Na 25080107 - --
3,7,11-Trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate 382.1310274 7.5643 M+Cl 706 - --
3,6,8-Trimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone 388.0794322 4.3506 2M-H 5322102 - --
3,6,7-Trimethoxy-11,12-dihydro-9a-azonia-10H-cyclopenta[b]triphenylene 360.1599687 3.5037 M-H 6426881 - --
3,6,11,12-Tetrakis(acetyloxy)-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate 550.1111263 3.6186 M+F 10053287 - --
3,5-dioxodecanoyl-CoA 945.1782043 3.6033 M+Cl+NH3 90657355 - --
3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-) 806.6923101 4.6364 M+Cl 46173277 - --
3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-[[4-(2-hydroxypropan-2-yl)cyclohexene-1-carbonyl]oxymethyl]oxan-2-yl]oxybenzoic acid 498.1737266 2.7778 M-H 45359872 - --
3,5-Dihydroxy-4-(sulfooxy)benzoic acid 249.978338 2.3804 M-H 69378631 - --
3,5-Dihydroxy-4-(beta-D-glucopyranosyloxy)benzoic acid methyl ester 346.0899969 3.9541 3M-2H 5317705 - --
3,5,7-trioxododecanoyl-CoA 991.2200691 9.774 M-H 70678790 C20413 ko00999,ko01100,ko01110
3,5,7-trihydroxy-6-methoxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 350.0637822 3.7563 M-H 131836642 - --
3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1lambdachromen-1-ylium 366.0506307 3.036 M-H - - --
3,5,6-Trihydroxy-3',4',7-trimethoxyflavone 3-glucuronide 536.1166057 2.9751 M-H 85364009 - --
3,5,6,7-tetrahydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one 336.0481321 4.3314 2M-H 131831744 - --
3,5,14-trihydroxy-13-methoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one 314.0426528 4.0616 M-H 131834819 - --
3,4-dihydroxy-5-[3-hydroxy-4-methoxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]benzoic acid 488.0590908 5.4143 M+F 131834663 - --
3,4-Dihydroxy-5-[(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)oxy]benzoic acid 470.0121405 1.52 M-H+NaCOOH 15934028 - --
3,4-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid 516.1267764 4.1982 M-H 3802778 - --
3,4,8,9,10-Pentahydroxy-6-oxobenzo[c]chromene-1-carboxylate 319.0090069 9.7665 M-H+NH3 131841542 - --
3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid 428.0743469 3.4489 M+HCOO 135452274 - --
3,4,5-trihydroxy-6-{[7-methoxy-3-(3-methoxyphenyl)-8-methyl-4-oxo-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 488.1318618 3.7104 M-H 131835837 - --
3,4,5-trihydroxy-6-{[7-methoxy-2-oxo-6-(3-oxobutyl)-2H-chromen-8-yl]oxy}oxane-2-carboxylic acid 438.1162117 2.7472 M-H 131835266 - --
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 784.2062086 5.5051 M+Cl 131833432 - --
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 770.1905586 6.8946 M-H 131833386 - --
3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-8aH-chromen-5-yl]oxy}oxane-2-carboxylic acid 639.1561248 3.4953 M-H+CH3CN 131834468 - --
3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 770.1905586 3.9389 M-H 131833422 - --
3,4,5-trihydroxy-6-{[7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid 800.2011233 2.0437 M-H-COCH2 131833303 - --
3,4,5-trihydroxy-6-{[7,8,8,13,22-pentahydroxy-19-(hydroxymethyl)-3,6,16-trioxo-21-(3,4,5-trihydroxybenzoyloxy)-2,17,20,23-tetraoxapentacyclo[16.3.1.1,(1)(1).0,.0(1),(1)]tricosa-4,10,12,14-tetraen-12-yl]oxy}oxane-2-carboxylic acid 826.1076168 0.8308 M-H-COCH2 131833054 - --
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 622.1533851 8.3837 M+Cl 131833483 - --
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 784.2062086 4.4285 M-H 131833433 - --
3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxy}oxane-2-carboxylic acid 638.1482998 4.9673 M-H 131833512 - --
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 800.2011233 6.4656 M-H 131833316 - --
3,4,5-trihydroxy-6-{[5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid 800.2011233 6.196 M-H 131833304 - --
3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-methoxyphenyl)-5-sulfino-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylate 512.0988471 6.3417 M-H 131834155 - --
3,4,5-trihydroxy-6-{[3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]oxy}oxane-2-carboxylic acid 372.0692615 2.3804 M+HCOO 131834370 - --
3,4,5-trihydroxy-6-{[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}oxane-2-carboxylic acid 510.1009556 2.059 M-H 131835089 - --
3,4,5-trihydroxy-6-{[2-(4-methoxy-1-benzofuran-5-yl)-2-oxoacetyl]oxy}oxane-2-carboxylic acid 396.0692615 1.6737 M-H 131835657 - --
3,4,5-trihydroxy-6-{[2-(3-hydroxyphenyl)-5-methoxy-6,8-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid 490.1475118 2.1499 M-H 134819290 - --
3,4,5-trihydroxy-6-{[19-hydroxy-7,7-dimethyl-15-(2-methylprop-1-en-1-yl)-13-oxo-2,8,16-trioxapentacyclo[12.8.0.0(3),(1)(2).0,.0(1),(2)(2)]docosa-1(14),3,5,9,11,17(22),18,20-octaen-11-yl]oxy}oxane-2-carboxylic acid 594.1737266 4.3822 M+Cl 134159968 - --
3,4,5-trihydroxy-6-{5-methoxy-2-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid 480.1267764 3.036 M-H 131837677 - --
3,4,5-trihydroxy-6-{5-hydroxy-2-[5-hydroxy-7-methoxy-6-(3-methylbut-1-en-1-yl)-3-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-2-yl]phenoxy}oxane-2-carboxylic acid 612.2206768 5.2153 M+Na-2H 131836703 - --
3,4,5-trihydroxy-6-{5-hydroxy-2-[(E)-2-(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)ethenyl]phenoxy}oxane-2-carboxylic acid 486.1525972 9.2563 M-H 131837911 - --
3,4,5-trihydroxy-6-{4-hydroxy-2-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 416.1107324 6.7261 M- 131838963 - --
3,4,5-trihydroxy-6-{4-[5,6,7-trihydroxy-4-oxo-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-2-yl]phenoxy}oxane-2-carboxylic acid 594.122085 7.2915 M-H 131833633 - --
3,4,5-trihydroxy-6-{4-[3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid 498.1525972 8.7805 M-H 131832334 - --
3,4,5-trihydroxy-6-{4-[(E)-2-(3,4,5-trihydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid 420.105647 2.3958 M+HCOO 131834853 - --
3,4,5-trihydroxy-6-{3-hydroxy-4-[5-hydroxy-3-(3-hydroxy-3-methylbutyl)-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl]phenoxy}oxane-2-carboxylic acid 614.1999414 4.6441 M-H-C6H10O4 131835665 - --
3,4,5-trihydroxy-6-{3,4,5-trihydroxy-2-[2-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid 480.1267764 3.2954 M-H 131836208 - --
3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenoxy}oxane-2-carboxylic acid 528.1631619 4.8906 M-H 131832327 - --
3,4,5-trihydroxy-6-{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 416.1107324 7.1078 M- 131839004 - --
3,4,5-trihydroxy-6-{2-hydroxy-4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid 416.1107324 5.8771 M- 131839005 - --
3,4,5-trihydroxy-6-[5-hydroxy-4-(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid 532.1580765 4.5359 M-H 131832432 - --
3,4,5-trihydroxy-6-[5-hydroxy-2-(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-yl)-3-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid 532.1580765 5.0448 M-H 131832431 - --
3,4,5-trihydroxy-6-[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenoxy]oxane-2-carboxylic acid 504.1267764 3.1425 M-H 131835835 - --
3,4,5-trihydroxy-6-[3-[(E)-2-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-2-carboxylic acid 744.211294 4.3051 M-H 131837860 - --
3,4,5-trihydroxy-6-[3-(3-oxo-3-{2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}propyl)phenoxy]oxane-2-carboxylic acid 612.1690352 4.5978 M-H 131836733 - --
3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 480.1267764 6.4656 2M-H 78054226 - --
3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid 368.1107324 4.844 2M-H 131839180 - --
3,4,5-trihydroxy-6-[2-hydroxy-4-(3,5,7-trihydroxy-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 510.1009556 2.5036 M-H 131835114 - --
3,4,5-trihydroxy-6-[2-hydroxy-3-(7-hydroxy-4-oxo-4H-chromen-2-yl)-6-methoxyphenoxy]oxane-2-carboxylic acid 476.0954763 3.4748 M-H 131837256 - --
3,4,5-trihydroxy-6-[2-hydroxy-2-(9-{[(2E)-2-methylbut-2-enoyl]oxy}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl)propoxy]oxane-2-carboxylic acid 536.1529912 4.6132 M-H2O-H 131835394 - --
3,4,5-trihydroxy-6-[2,3,6-trihydroxy-5-(3,5,7-trihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid 512.0802202 2.4422 M-H 131831859 - --
3,4,5-trihydroxy-6-[1-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]oxane-2-carboxylic acid 530.106041 4.3822 M-H 131835633 - --
3,4,5-trihydroxy-6-[(8-methoxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]oxane-2-carboxylic acid 446.1212971 8.095 M+Cl+NH3 131837227 - --
3,4,5-trihydroxy-6-[(5-hydroxy-6-{4-hydroxy-6-methyl-5-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy]oxane-2-carboxylic acid 736.1850792 6.7721 M-H 131833705 - --
3,4,5-trihydroxy-6-({7-methoxy-4-oxo-2-phenyl-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid 768.211294 4.6132 M-H 131833464 - --
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid 640.1275643 2.6789 M-H 131835582 - --
3,4,5-trihydroxy-6-({7-hydroxy-4-oxo-2-phenyl-3,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid 754.1956439 4.9673 M-H 131833411 - --
3,4,5-trihydroxy-6-({7,8,11,12,13,21,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.0,.0(1),(1)]tricosa-4,6,8,10,12,14-hexaen-6-yl}oxy)oxane-2-carboxylic acid 658.1017435 0.8301 M-H 131837313 - --
3,4,5-trihydroxy-6-({7,13,14-trihydroxy-3,10-dioxo-5-[5,6,7-trihydroxy-1-oxo-3-(1,2,3,4-tetrahydroxybutyl)-1H-isochromen-8-yl]-2,9-dioxatetracyclo[6.6.2.0,(1).0(1)(1),(1)]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl}oxy)oxane-2-carboxylic acid 790.0864874 2.2205 M-2H+Na 131836101 - --
3,4,5-trihydroxy-6-({5-hydroxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0(2),.0(3),.0(1)(3),(1)]nonadeca-1(12),2(9),10,13(17)-tetraen-11-yl}oxy)oxane-2-carboxylic acid 492.0903909 2.6865 M-H 131832492 - --
3,4,5-trihydroxy-6-({17-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-15-yl}oxy)oxane-2-carboxylic acid 518.106041 5.5356 M+NH4-2H 131835180 - --
3,4,5-trihydroxy-6-({15-hydroxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1,9,11,14,16,18-hexaen-11-yl}oxy)oxane-2-carboxylic acid 488.0954763 5.4748 M+HCOO 131835184 - --
3,4,5-trihydroxy-6-({15-hydroxy-11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)oxane-2-carboxylic acid 516.0903909 3.9313 3M-2H 131835162 - --
3,4,5-trihydroxy-6-({15-hydroxy-11,17,18-trimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-16-yl}oxy)oxane-2-carboxylic acid 576.1115203 1.497 M+Cl 131835199 - --
3,4,5-trihydroxy-6-({14-hydroxy-13-methoxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-5-yl}oxy)oxane-2-carboxylic acid 474.0798262 3.4489 2M-H 131834805 - --
3,4,5-trihydroxy-6-({11-methoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14(19),15,17-hexaen-15-yl}oxy)oxane-2-carboxylic acid 502.1111263 5.5051 M+CH3COO 131835178 - --
3,4,5-trihydroxy-6-(4-{5,6,7-trihydroxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenoxy)oxane-2-carboxylic acid 624.1326497 4.5514 M-H 131833545 - --
3,4,5-trihydroxy-6-(3-{3,5,6,7-tetrahydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid 628.1639498 2.4933 M-H 131833120 - --
3,4,5-trihydroxy-6-(2-hydroxy-5-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenoxy)oxane-2-carboxylic acid 628.1639498 3.0971 3M-2H 131833062 - --
3,4,5-trihydroxy-6-(2,4,6-trihydroxyphenoxy)oxane-2-carboxylic acid 318.0586968 2.059 M+Cl 131831844 - --
3,4,5-Trihydroxy-6-[5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-7-yl]oxyoxane-2-carboxylic acid 640.1275643 3.8021 M-H 131832575 - --
3,4,5-Trihydroxy-6-[4-oxo-1-(5,6,7-trimethoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxyoxane-2-carboxylic acid 520.121691 3.7563 M-H 131834904 - --
3,4,5-Trihydroxy-6-[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)chromen-8-yl]oxyoxane-2-carboxylic acid 500.1318618 4.5206 M-H 92023683 - --
3,4,5-Trihydroxy-6-[4-hydroxy-2-oxo-3-(3-oxo-1-phenylbutyl)chromen-7-yl]oxyoxane-2-carboxylic acid 500.1318618 8.095 M-H 92023684 - --
3,4,5-Trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid 372.105647 3.234 M+K-2H 131834361 - --
3,4,5-Trihydroxy-6-[1-methoxy-1,3-dioxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propan-2-yl]oxane-2-carboxylic acid 722.1694292 2.1806 M-H+Cl 131836230 - --
3,4,5-Trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one 466.1322557 4.2437 M-2H+K 131834564 - --
3(S)-Hydroxy-4(R),8-dimethyl-nonanoyl-CoA 951.26154 2.0741 M-H+Cl 131769857 - --
3'-Keto-3'-deoxy-AMP 345.0474348 1.6891 M- 441213 C07025 ko01100,ko01110
3'-(3-Acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)-2',4',6'-trihydroxy-5'-(3-methyl-2-butenyl)butyrophenone 472.2097182 2.3649 M+Cl+CF3COOH 5315573 - --
3',4',7-Trihydroxyisoflavone 270.0528235 10.6463 M-H 5284648 C14313 --
2alpha-(beta-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzooxazine-3(4H)-one 357.1059813 4.2284 M-H 11035692 - --
2-{[hydroxy({3,4,8,9,10-pentahydroxy-6-oxo-7-[5,6,12,13,14-pentahydroxy-4-(hydroxymethyl)-9-oxo-3,8-dioxatricyclo[8.4.0.0(2),]tetradeca-1(14),10,12-trien-11-yl]-6H-benzo[c]chromen-1-yl})methylidene]amino}acetic acid 689.0864278 10.6386 M-H 131835792 - --
2-{2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-5-hydroxy-4-methoxyphenyl}-3-hydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-5-olate 544.0886764 6.2332 M-H 131834278 - --
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 556.2097182 11.2066 M-H 131832591 - --
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-(hydroxymethyl)cyclohex-3-ene-1-carboxylic acid 572.2046328 4.3051 M-H+NaCOOH 131832592 - --
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]-3-methoxyphenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 586.2202829 7.3222 M-H 131832663 - --
2-phenyl-N-(1-phenylethyl)quinazolin-4-amine 325.1578977 3.0207 M+Cl 5051334 - --
2-naphthoayl-coenzyme A 917.1257748 1.1524 M-H-C6H10O5 90659106 - --
2-hydroxybenzoyl-AMP(1-) 466.0763893 4.0309 M-H 636428 - --
2-dehydropantoate 146.0579089 2.6406 M+Na-2H 38 C00966 ko00770,ko01100,ko01110,ko01240
2-azaniumyl-5-[[1-[[1-carboxylato-4-[[1-(2-carboxylatoethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate 551.1355837 3.234 M+Cl 54758713 - --
2-ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate 220.0847923 1.5662 M-H 25243949 - --
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one 283.0916686 1.5355 M-H-C5H8O4 765 - --
2-amino-6-(ethylamino)-1H-1,3,5-triazin-4-one 155.08071 4.9288 2M-H 81748 - --
2-amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one 255.096754 5.8926 M+Cl 659 C04874 ko00790,ko01100,ko01240
2-amino-4-({2-[(2-carboxy-2-hydroxy-1-phenylethyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 471.1311503 7.4437 M-H-COCH2 131832961 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5,9-dihydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-10-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 713.2254446 3.6798 M-H 131832550 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 487.1624504 7.2302 M+Cl 131838883 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-1,3-dihydroxypropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 561.1628444 4.4131 M-H-H2O 131835014 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(3,5-dihydroxyphenyl)-2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)ethyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 581.1679297 7.3222 M+Cl 131838323 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(2-hydroxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 455.1362356 2.45 M-H-CO2 131837801 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 473.1468003 9.744 M-H+CF3COOH 131837829 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 439.141321 7.4887 M-H-CH3 131838890 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}-2-hydroxy-1-(4-hydroxyphenyl)ethyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 619.2199653 3.1046 M+Cl 131835302 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2,3-dihydroxy-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 457.1518857 11.0688 M+Cl 131838913 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(1-hydroxy-2,4-diphenylbutan-2-yl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid 531.2039213 4.4591 M-H-CH4 131839136 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2-[3,5-dihydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-1-(2,4-dihydroxyphenyl)-2-hydroxyethyl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid 635.2148799 2.3129 M-H-CH3 131832053 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({2,3,4,6-tetrahydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid 593.1315442 11.0108 M-2H+Na 131833016 - --
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-({1-hydroxy-3-[2-(2-hydroxypropan-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-6-yl]-3-methylbutan-2-yl}sulfanyl)ethyl}-C-hydroxycarbonimidoyl)butanoic acid 637.23053 3.8174 M+Cl 131836488 - --
2-amino-3-hydroxy-4-methylbenzoyl-AMP(1-) 495.1029384 4.0616 M-H+NH3 102515308 - --
2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose 459.0682753 1.1524 M+Cl+HCOOH 10298165 C04865 --
2-[[4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-oxopentyl]amino]acetic acid 449.3141237 5.5203 M+Cl+CF3COOH 3493 - --
2-[5-[(5-tert-butyloxazol-2-yl)methylsulfanyl]thiazol-2-yl]-N-[4-[[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]methyl]phenyl]acetamide 490.170847 3.2413 M-H+Cl 56928083 C14123 --
2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]acetic acid 358.1568947 3.2493 M-H 10428482 - --
2-[4,5-Dihydroxy-2-(hydroxymethyl)-10-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8,10-trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one 850.2320294 5.2305 M+Cl 45782978 - --
2-[3,4-dihydroxy-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-3,5,7-trihydroxychromen-4-one 450.0798262 2.7625 M+Cl+HCOOH 5319346 - --
2-[2-[2-[Bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylmethoxypropanoate;gadolinium(3+) 668.0969879 4.4132 M-H 9852779 - --
2-[2-[2-[2,4-dihydroxy-6-methyl-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]-2-oxoethyl]-6-hydroxy-4-methylphenyl]-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 770.2422002 3.6492 M+Cl+CF3COOH 11136473 - --
2-[2-[(2-Azaniumyl-2-carboxylatoethyl)amino]-2-oxoethyl]-4-[2-[(4-carboxylato-4-oxobutanoyl)amino]ethylamino]-2-hydroxy-4-oxobutanoate 446.1285077 10.6023 3M-H+Cl 46926215 - --
2-[({2-[7,8,9,12,13,14,17,18,19,25-decahydroxy-24-(hydroxymethyl)-4,22,27-trioxo-3,23,26-trioxahexacyclo[13.10.3.1(2),.0,(1).0(1)(1),(2).0(1),(2)(1)]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaen-29-yl]-3,4,5-trihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid 841.0973864 0.8461 M-H-C6H8O6 131838388 - --
2-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-yl]-1,8-dihydroxy-6-(hydroxymethyl)anthracene-9,10-dione 686.1635559 5.5051 M-H-C4H8 122190710 - --
2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid 502.0958702 2.4577 M+Cl 131834334 - --
2-[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl]-5,7-dihydroxy-4H-1-benzopyran-4-one 464.1107324 3.326 M+Cl 11213425 - --
2-[(2-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 816.211294 3.9009 M+K-2H 131833838 - --
2-Trifluoromethyl-2'-methoxychalcone 306.0867644 2.1042 M-H+CF3COOH 53262706 - --
2-Propenamide, 2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]- 354.1038132 3.4025 M-H 5276 - --
2-Oxoglutaroyl-CoA 895.1261687 1.1524 M-H-CH2 9548020 C20447 ko01100
2-Oxoglutaramate 144.0296827 4.1381 2M-H 152239 - --
2-Oxobrimonidine 307.0068711 0.9992 M-H 131770028 - --
2-O-alpha-mannosyl-D-glycerate 268.0794322 0.386 M+K-2H 5460194 - --
2-O-alpha-L-Rhamnopyranosyl-D-glucopyranose 326.1212971 4.5206 M+Cl 441426 C08244 --
2-O-(alpha-D-glucopyranosyl)-D-glyceric acid 268.0794322 7.7161 M+K-2H 46199512 C19792 --
2-O,3-O-Digalloyl-4-O-(3,4-dihydroxy-tras-cinnamoyl)-L-threonic acid 602.0907849 2.8237 M-H-HCOOH 101026998 - --
2-Nitrofluorene 211.0633286 3.741 2M+Cl 11831 C10923 --
2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine amide 417.1536002 2.6406 M+Cl 15429182 C06447 --
2-Methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 467.076968 1.6584 M+Cl 2847578 - --
2-Hydroxyeriodictyol 304.0583028 3.8098 M+Cl+NH3 90657995 - --
2-Hydroxycyclohexane-1-carbonyl-CoA 893.1832897 4.1229 M+Cl+NH3 9543208 C09812 ko01100
2-Hydroxychromene-2-carboxylate 191.0344338 4.2501 M-H-CO2 9543183 - --
2-Hydroxy-imipramine glucuronide 472.2209515 4.8053 M-H 10874382 - --
2-Hydroxy-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid 347.100502 6.6801 M+Cl+CF3COOH 3013728 - --
2-Hydroxy-2H-benzo[h]chromene-2-carboxylate 242.0579089 6.4348 M-H 443193 C11425 ko01100
2-Hydroxy-1,4-naphthoquinone 174.0316941 8.065 M+CH3COO 6755 - --
2-Feruloyl-1,2'-disinapoylgentiobiose 930.2793736 5.5051 M+Cl 131751001 - --
2-Ethylhexyl diphenyl phosphate 362.1646965 3.3566 M-H-CO 14716 - --
2-Dodecylbenzenesulfonic acid 326.1915656 11.0841 M-H 25457 - --
2-Deoxystreptamine 4-phosphate 242.0667733 5.753 2M-H 440182 C03980 --
2-Deoxyribose 5-triphosphate 373.9569016 10.7306 M-2H+K 443781 - --
2-Deoxy-D-ribono-3,5-bis(tripolyphosphate)-1,4-lactone 611.8402444 0.7221 M-H+Cl 5315481 - --
2-Chloro-5-nitro-N-phenylbenzamide 276.0301699 9.0547 M+CH3COO 644213 C15627 --
2-Chloro-5-nitro-N-4-pyridinylbenzamide 277.0254189 1.9908 M-H 2777391 - --
2-Chloro-1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione 348.040066 4.4591 M+Cl 129008848 - --
2-Caffeoylisocitrate 354.0586968 3.418 M-H-CH2 6121984 C02927 --
2-C-((Galloyloxy)methyl)-D-ribose 5-gallate 484.0853055 2.8539 M-H 21145076 - --
2-Benzylmalate 224.0684736 3.1122 M-H2O-H 11229827 C20653 ko00400,ko01100,ko01210
2-Benzyl-4-chlorophenol 218.0498427 2.9751 M+CH3COO 8425 - --
2-Azaniumyl-5-[[3-[[2-[(4-azaniumyl-4-carboxylatobutanoyl)amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate 612.1519621 1.6891 M+Cl+NH3 5255796 - --
2-Amino-6-[[4,5-dihydroxy-3-oxo-6-(phosphonooxymethyl)oxan-2-yl]amino]hexanoic acid 386.1090321 1.1981 M-H 721 - --
2-Amino-5-oxocyclohex-1-enecarbonyl-CoA 904.1628886 0.8308 M-H+NaCOOH 9543129 C05165 --
2-Amino-4-carboxypyrimidine 138.0303514 3.6492 M-H 25202150 - --
2-(E)-O-feruloyl-D-galactaric acid 386.0849116 2.1193 M-H-CH2 14104340 C03156 --
2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol 482.1424265 2.1652 M-H 131833104 - --
2-(4-Hydroxyphenyl)-3,5-dihydroxy-7-(6-O-acetyl-beta-D-glucopyranosyloxy)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one 558.1737266 7.4662 M-H-C6H10O5 11706718 - --
2-(3-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 436.1369471 4.6744 M-H 131833061 - --
2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 738.2159854 2.3958 M-H 131833158 - --
2-(3-Fluorophenyl)benzonitrile 197.0640775 1.9202 M+Cl 1393588 - --
2-(3-Carboxy-3-aminopropyl)-L-histidine 256.1171551 4.1982 2M-2H+K 440342 C04441 --
2-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methyl-benzoyl)-3,5-dihydroxy-benzoic acid 385.9960083 1.0451 M+Cl 24039291 - --
2-(3,4-dihydroxyphenyl)ethyl (5Z)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate 808.2578503 2.7319 M-H-C2H4 45359935 - --
2-(3,4-dihydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol 468.1267764 7.3375 M+CH3COO 131833085 - --
2-(3,4-dihydroxyphenyl)-8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 548.1682473 6.4656 M-H 131838734 - --
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 610.1533851 3.9679 M-H 25245356 - --
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 2,3,4,5-tetrahydroxybenzoate 458.0849116 0.9992 M-H 131834527 - --
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one 464.0954763 2.8839 M+CH3COO 131835565 - --
2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate 458.0849116 2.9449 M-H 131834525 - --
2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-2,3-dihydrochromen-4-one 376.1158177 5.2918 M+CH3COO 71168357 - --
2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetrahydroxy-3-methoxychromen-4-one 376.0794322 5.2305 M+HCOO 131835549 - --
2-(2-hydroxy-3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one 334.105253 1.9357 2M-H 131837696 - --
2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate 266.9966448 1.1373 2M-H 46942369 C20247 ko00730,ko01100,ko01240
2-(2,6-dihydroxy-4-{6-hydroxy-7-[(2E)-3-methyl-4-(sulfooxy)but-2-en-1-yl]-1-benzofuran-2-yl}phenyl)-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 652.1614474 3.9541 M-H 131832640 - --
2-(2,6-diaminohexanoylamino)acetic Acid 203.1269915 1.1524 M+Cl 259320 - --
2-(2,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one 610.1533851 5.5818 M-H 131833291 - --
2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 492.1267764 7.2149 M+CH3COO 131834894 - --
2-(2,4-dihydroxy-5-methoxyphenyl)-3-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one 504.251189 8.4144 M+Cl 131835944 - --
2-(2,4-Dihydroxy-6-methoxy-benzoyl)-9-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)-6-(4-methoxy-phenyl)-1,5-dioxa-cyclopenta[b]naphthalen-8-one 596.1318618 3.4025 M+Cl 637123 - --
2-(2,3-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-chromen-4-one 362.0637822 2.1652 M+HCOO 131836452 - --
2-(1-ethylpyrrolidin-2-yl)-5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrole 362.1664135 4.813 M+Cl 443374 - --
2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxychromen-4-one 342.0739529 3.7716 M-H-CH3 5321057 - --
2-((4-Pyridinylcarbonyl)hydrazono)pentanedioic acid 265.0698705 6.7721 M-H+CH3CN 9576951 C16625 --
2-((1R,3S),-1',9'-dihydroxy-1'-methyl-10'-oxo-3',4',5',10'-tetrahydro-1H-benzo[g]isochromen-3'-yl)acetate 303.0868633 3.7563 2M-H 25244625 - --
2,7-Dihydroxy-5-methyl-1-naphthoic acid 218.0579089 6.5116 M-H 13548877 C20857 ko01100,ko01110
2,6-Dimethoxy-4-[(E)-3-(beta-D-glucopyranosyloxy)-1-propenyl]phenyl beta-D-glucopyranoside 534.194856 3.9847 M-H 46705486 - --
2,5-dihydroxybenzoyl-CoA(4-) 899.0999539 3.7104 M-H+Cl 49859679 - --
2,4-Dichlorobenzoyl-CoA 939.0634802 1.1373 M-H-C6H8O6 9543105 C06671 ko01100
2,3-dinor Fluprostenol 430.1603233 2.3367 M-H 71684407 - --
2,3-diene-Valproic acid-CoA 890.1962001 5.0758 M+Cl 131769930 - --
2,3-bis(Acetyloxy)propyl icosanoate 470.3607395 9.2398 M-H+CH3CN 539924 - --
2,3-Dimethylmaleic anhydride 126.0316941 3.1273 2M-H 13010 - --
2,3-Dimercapto-1-propanol tributyrate 334.1272508 3.4025 2M-2H+Na 194061 - --
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one 306.089209 5.138 M-H 73121825 - --
2,3-(S)-hexahydroxydiphenoyl-D-glucose 482.0696555 2.8361 M-H 492390 - --
2,3,4-tris[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-(2-methylpropanoyloxy)hexanedioic acid 766.1745145 5.0139 M-H 51136467 - --
2,3,4-Trihydroxy-4'-ethoxybenzophenone 274.0841236 4.9212 M-H 6708739 - --
2,3,4,7,8,9,15,22,23,33-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,28,31,34-pentone 726.0704434 9.2705 M+CH3COO 131838407 - --
2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22-nonaene-12,27,31,34-tetrone 712.0911788 2.6406 M-H 131838396 - --
2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22,28-decaene-12,27,31,34-tetrone 710.0755287 4.1833 M-H-C6H10O5 131838393 - --
2,3,4,7,8,9,15,21,22,23-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19,21,23-nonaene-12,27,28,31,34-pentone 726.0704434 8.7728 M+CH3COO 131838401 - --
2,3,4,7,8,9,15,21,22,23,28-undecahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19,21,23-nonaene-12,27,31,34-tetrone 728.0860934 11.0841 M-H 131838402 - --
2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one 220.0371734 3.8899 2M-H 135403797 C09964 --
2,3,4,5,6-Pentahydroxyhexyl 2-[2-[2-[2-(2-acetyloxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoyl]oxy-3-methylpentanoate 780.414351 7.4737 M-H+NaCOOH 45359266 - --
2,3,4'-Trihydroxy-4-methoxybenzophenone 260.0684736 6.6341 M-H 3908719 - --
2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 510.3192687 3.5107 M-H+NaCOOH 57509343 - --
2,2-dimethyl-3-phenyl-2,3-dihydroquinazolin-4(1H)-one 252.1262632 4.9673 M+Cl+HCOOH 919038 - --
2(1H)-Pyridinone, 3-[(2S,4S,5R)-5,6-dichloro-2,4-dimethyl-1-oxohexyl]-4-hydroxy-5,6-dimethoxy- 365.0796783 3.1122 M+Cl 137699538 - --
2'-deoxy-5'-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]uridine 464.9501392 0.7612 M+Cl+NaCOOH 49852308 - --
2'-Oxoaloesol 7-glucoside 394.1263824 4.3977 M-H 14524532 - --
2'-O-Methyllicodione 286.0841236 6.4038 M-H 439850 C02922 --
2'-Hydroxytaxine II 667.335647 10.2456 M-H-HCOOH 10628208 - --
2',7-Diacetyltaxol 937.352085 2.0741 M+Cl 44593344 - --
2',4',6'-Trihydroxydihydrochalcone 258.089209 3.234 M+Cl 1226045 - --
2''-O-acetyl-ADP-D-ribose(2-) 599.0665893 0.5669 M+Cl 86290135 - --
2''-O-Acetyl-3'-O-Methylrutin 666.1795999 3.6798 M-H-CO2 10032376 - --
2'',6''-Diacetyloninin 514.1475118 7.8226 M+Cl 10207893 - --
1alpha-(beta-D-Glucopyranosyloxy)-7beta-hydroxy-7-[(3-methoxy-4-hydroxy-trans-cinnamoyloxy)methyl]-1,4aalpha,7,7aalpha-tetrahydrocyclopenta[c]pyran-4-carboxylic acid 566.1635559 5.138 M-H+NaCOOH 11203845 - --
1H-Benzotriazole 119.0483472 2.899 M-H 7220 - --
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate 463.1090917 8.4297 M+Cl 25271610 C19761 --
1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside 444.1413806 0.754 M+F 5327116 C19703 --
1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol 6-phosphate 300.083486 1.3058 M-H-C6H8O6 5462475 - --
19-hydroxy-17-oxoandrost-5-en-3-yl sulfate 384.1606595 8.9779 M-H - - --
18-O-(2-Aminobenzoyl)delectinine 572.3097666 10.5173 M-H 101420803 - --
17-trifluoromethylphenyl-13,14-dihydro trinor PGF2 458.228009 8.4144 M-H - - --
17-phenyl trinor PGF2 diethyl amide 443.303559 8.095 M+Cl - - --
15-keto-17-phenyl trinor Prostaglandin F2 ethyl amide 413.2566087 7.0471 M-H2O-H - - --
15-keto Fluprostenol 456.1759734 4.3822 M+Cl - - --
15-Demethoxy-epsilon-rhodomycin 571.2053611 11.4636 M-H+NH3 53297393 C18641 ko01110
15-(1,3-Dihydroxy-3-methylbutyl)-4,18-dihydroxy-2-methoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14,16,18-heptaen-20-one 442.1263824 6.1095 M-H-HCOOH 102571598 - --
15,17-dihydroxy-11-methoxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one 340.0583028 6.3417 M-H 131835159 - --
15(S)-HETE-biotin 560.3396269 9.4544 M+CH3COO 91886096 - --
15(S)-Fluprostenol 458.1916235 4.4746 M+Cl 3391 - --
14,15-dimethoxy-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,6-diol 316.0946883 5.2628 M-H 131839501 - --
13-Oxo-9,11-octadecadienoic acid 294.2194949 10.5323 M-H 160205 - --
13-Methylmyristic acid 242.2245803 11.1452 M-H 151014 - --
13-Demethyl tacrolimus 789.4663269 10.3674 M-H2O-H 131769926 - --
13-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 846.2159854 6.5575 M-H 131832418 - --
13-(3,4-dihydroxyphenyl)-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 832.2003353 7.1689 M-H 131832387 - --
13-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-5-(4-hydroxy-3-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 878.2058147 5.551 M-H 131832395 - --
13-(3,4-dihydroxyphenyl)-18-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-5-(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaene-6,9,17,19,21-pentol 848.19525 6.6035 M+Na-2H 131832384 - --
13,14-dihydroxy-15-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-3-(2-methylpropyl)-5,9-dioxo-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,6,10,16-tetraoxabicyclo[10.3.1]hexadecane-7-carboxylic acid 864.2688089 2.3649 M-H-CH4 45360219 - --
13,14-dihydro-16,16-difluoro PGJ2 372.211216 4.3977 M+CH3COO - - --
13,14-Dihydro-16,16-difluoroprostaglandin D2 390.2217807 6.4193 M-H 52224395 - --
12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE 342.1103384 4.8546 M+CH3COO 4620898 - --
12-epi Leukotriene B4-d4 340.2551675 9.2245 M+Cl - - --
12-Ethyl-8-propyl-3-vinylbacteriochlorophyllide d 584.2637835 8.2466 M-H-C6H10O4 124201675 C21428 ko00860,ko01110
12-Ethyl-71,71-dihydroxy-8-isobutylbacteriochlorophyllide c 660.2798275 2.1961 M+Cl+NaCOOH 126961182 - --
12-Deoxynogalonic acid 368.089603 3.7104 M+F 53297388 C18629 ko01100,ko01110
12-Dehydrotetracycline 442.1376158 2.8539 M-H 54675762 C03206 ko01100,ko01110
12,18-Didecarboxysiroheme 822.1836506 7.8989 M-H 91820468 - --
12,16-dihydroxy-5,7,9,21-tetraoxahexacyclo[11.8.0.0(2),(1).0(3),.0,.0(1),(2)]henicosa-1(13),2(10),11,15,17,19-hexaen-14-one 326.0426528 6.094 M-H 131839489 - --
11beta,12alpha-Diacetoxy-1-deoxo-14beta,15beta-epoxy-3beta-hydroxy-2-oxoneotecleanin 556.2308476 10.6539 M+Cl 12116651 - --
11a-Hydroxyoxytetracycline 476.1430951 2.4268 M-H 124201688 C21438 --
11a-Hydroxy-7-chlortetracycline 494.1092082 5.7995 M-H 124201689 C21439 ko01110
11,22-dimethyl (6E,17E)-3,14-dioxo-8,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4,9,15,20-tetraoxatricyclo[16.4.0.0,(1)(2)]docosa-6,10,17,21-tetraene-11,22-dicarboxylate 804.2324234 3.1122 M-H 45360171 - --
11,15,17-trihydroxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),4,10,14,16,18-heptaen-13-one 326.0426528 5.7062 M-H 131839487 - --
10-Oxabenzo[def]chrysen-9-one 270.0680796 2.6865 3M-H 361185 C18281 --
10-Debenzoyl-2alpha-acetoxybrevifoliol 510.2464976 0.7852 M+Cl 5316393 - --
10,11-Dihydro-12R-hydroxy-leukotriene E4 457.2498088 5.7218 M-H-COCH2 53481446 - --
1-{[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine 262.1229894 2.8237 M-H 43237157 - --
1-octadecanoyl-2-[(15Z)-tetracosenoyl]-sn-glycero-3-phosphocholine 871.7030065 6.1095 M-H-NH3 24778881 - --
1-hexadecanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phospho-(1'-myo-inositol) 890.5884302 0.7216 M-2H+Na 52927621 - --
1-eicosanoyl-2-[(11Z,14Z)-eicosadienoyl]-sn-glycero-3-phosphocholine 841.6560563 3.6262 M-H+HCOOH 24779046 - --
1-eicosanoyl-2-(11Z-eicosenoyl)-sn-glycerol 678.616226 3.7868 M+Cl 9543793 - --
1-[6-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one 714.2371148 2.9751 M+Cl+NaCOOH 125416227 - --
1-[5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulene-8-carboxylic acid 580.0853055 5.6438 M+F 136176162 - --
1-[3-[[3-acetyl-2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-2,4-dihydroxy-6-methoxyphenyl]ethanone 538.1686412 2.4577 M+Cl 5316985 - --
1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4,5-trihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one 696.2570623 2.227 M-H 131832878 - --
1-[3-(6-{2,4-dihydroxy-3-[(1E)-3-methylbut-1-en-1-yl]benzoyl}-5-(2,4-dihydroxyphenyl)-3-(hydroxymethyl)cyclohex-2-en-1-yl)-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)propan-1-one 696.2570623 5.2 M-H 131832868 - --
1-Vinylhexyl beta-D-glucopyranoside 290.1729387 6.8181 M+Cl 21635656 - --
1-Tetracosanoyl-2-hexadecanoyl-sn-glycero-3-phosphocholine 845.6873564 5.6128 M-H-CO 18631369 C00157 ko00564,ko00590,ko00591,ko00592,ko01100,ko01110
1-Salicylate glucuronide 314.0637822 1.9047 M+HCOO 3084023 - --
1-Phosphatidyl-D-myo-inositol 390.0563279 2.3187 M+CH3COO 53477912 - --
1-Phenyl-9-thioureido-3,6-diazahomoadamantane 302.1565175 4.5823 M+Cl+HCOOH 4977698 - --
1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one 272.050715 4.336 M+CH3COO 5355967 - --
1-Palmitoyl-2-(5-keto-6-octendioyl)-sn-glycero-3-phosphatidylcholine 663.374749 9.0394 M+Cl+HCOOH 5282303 - --
1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine 759.5778059 9.0394 M+CH3COO 24778933 - --
1-Octadecanoyl-2-eicosanoyl-sn-glycero-3-phosphoethanolamine 775.6091061 0.7221 M-H 449007 - --
1-O-p-Coumaroyl-(b-D-glucose 6-O-sulfate) 406.0569823 0.8919 M-H-CH2 131753056 - --
1-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-4-O,6-O-digalloyl-beta-D-glucopyranose 646.1169996 2.816 M-H 10897568 - --
1-O-(3,4-Dihydroxy-trans-cinnamoyl)-4-O,6-O-[[(aS)-4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl]biscarbonyl]-beta-D-glucopyranose 644.1013496 7.9292 M+Cl+NaCOOH 10908399 - --
1-Nitroso-2-methyl-2-[3-(methylaminio)propyl]hydrazine-1-olate 162.1116758 4.0155 M+Cl 4522 - --
1-Myristoyl-sn-glycerol 3-phosphate 382.2120406 9.9539 M-H 9547180 - --
1-Methyl 2-galloylgalactarate 376.0641761 1.4893 M+HCOO 75060005 - --
1-Linoleoyl-3-docosahexaenoyl-sn-glycerol 678.5223256 8.3079 M-2H+Na 131801995 - --
1-Hydroxypyrene Glucuronide 394.105253 3.0207 M+Na-2H 59751652 - --
1-Hydroxy-2-naphthoate 187.0395191 7.4287 M+CH3COO 54675865 - --
1-Hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) 572.2961643 7.4587 M+Cl 71296207 - --
1-Heneicosanoyl-2-docosanoyl-sn-glycerol 722.6788263 6.9252 M-H+NaCOOH 9543916 - --
1-Guanidiniumyl-1-deoxy-scyllo-inositol(1+) 222.1089957 1.858 M+Cl 25202575 - --
1-Feruloyl-5-caffeoylquinic acid 530.1424265 5.1069 M-H 131753173 - --
1-Caffeoyl-5-feruloylquinic acid 530.1424265 4.5359 M-H 121225501 - --
1-Bromo-3-(butane-1-sulfinyl)benzene 261.9849736 2.6251 M-H 21612708 - --
1-Amino-1-deoxy-scyllo-inositol 4-phosphate 259.0457035 8.065 M+NH4-2H 439467 C01283 ko01110
1-18:1-lysoPE 479.30119 8.9473 M-H 58177709 - --
1-(Nitroguanyl)-3,5-dimethylpyrazole 183.0756246 1.2134 M-H-CH2 7240976 - --
1-(6-Cyano-3-pyridylcarbonyl)-5',8'-difluorospiro[piperidine-4,2'(1'H)-quinazoline]-4'-amine 382.1353656 6.5421 M-2H 9886249 - --
1-(4-fluorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylic acid 222.0440704 3.1578 M+Cl 33676668 - --
1-(4-Hydroxy-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium bromide 339.058238 1.1373 M-H 5460092 C04908 --
1-(1Z-hexadecenyl)-glycero-3-phosphate 394.2484261 4.49 M+Cl+CF3COOH 52929772 C15646 ko00565,ko01100
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate 366.1427012 8.4144 M+Cl+CF3COOH 21125948 - --
1,9-Pyrazoloanthrone 220.0636629 3.6902 2M-H 8515 - --
1,8,16,17,18,21,22,23,34,35,39,39-dodecahydroxy-6,9,12,27,30,40-hexaoxaoctacyclo[34.3.1.0(3).0,(2).0(1),(2).0(1),(1).0(2),(2).0(3)(2),(3)]tetraconta-3,14,16,18,20,22,24,32,34,36-decaene-2,5,13,26,31-pentone 800.0708373 0.8461 M-H-CO2 - - --
1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone 328.1674594 9.4403 M-H 56776297 - --
1,6-bis-O-galloyl-beta-D-glucose 484.0853055 2.839 2M-2H+Na 440221 C04101 --
1,6-Dimethoxypyrene 262.0993798 2.3958 2M-2H+K 9543291 C18260 --
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone 440.1835034 3.0819 M+2Cl 5319262 - --
1,6-Bis(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol 454.1780241 5.7375 M-H-C6H10O5 14630663 - --
1,5-Naphthalene diisocyanate 210.0429275 2.6251 2M-H 18503 C19464 --
1,4-beta-D-Glucan 536.1588645 2.9241 M+HCOO 53477911 - --
1,4-Dimethoxyglucobrassicin 508.0821512 4.1639 M+Cl 131752125 - --
1,4-Dihydroxy-6-naphthoic acid 204.0422588 6.0165 M-H 14278030 C17018 ko00130,ko01100,ko01110,ko01240
1,4-Dihydroxy-2-naphthoic acid 204.0422588 8.065 M-H 671 C03657 ko00130,ko01100,ko01110,ko01240
1,4,3'',4'',6''-penta-O-acetyl-6-O-p-coumaroylsucrose 712.2214647 6.1561 M-2H+K 44575960 - --
1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone 394.1780241 10.7306 M-H 67261902 - --
1,3,6-Tri(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol 560.2198889 6.3572 M+Cl 11563113 - --
1,3,5-Trihydroxy-10-methylacridone 257.0688079 8.8721 2M-H 10515286 - --
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid 190.0477381 1.2596 2M-H 630 - --
1,2-di-(13Z-docosenoyl)-sn-glycerol 732.6631762 4.4438 M+Cl+NaCOOH 9543936 - --
1,2-Dimethylimidazole 96.06874828 2.1042 M+Cl 15617 - --
1,2,6-Trigalloylglucose 636.0962642 3.7716 M+K-2H 440308 C04360 --
1,1,1,2,2-Pentafluoro-7-phenylheptan-3-one 280.0886562 1.9202 M+K-2H 24995215 - --
1,1'-(1,8-Dioxo-1,8-octanediyl)bis[glycyl-glycine 402.175064 3.326 M+Cl 15168785 - --
({7,8,9,12,13,14,17,18,19,25,29-undecahydroxy-4,22,27-trioxo-3,23,26-trioxahexacyclo[13.10.3.1(2),.0,(1).0(1)(1),(2).0(1),(2)(1)]nonacosa-5(10),6,8,11,13,15(28),16,18,20-nonaen-24-yl}methoxy)sulfonic acid 712.0217786 0.6435 M-2H+K 131835415 - --
({6-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 526.0781117 5.2764 M+Cl 131833485 - --
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-6-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 676.1309352 3.5803 M+Cl+NH3 131833248 - --
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 676.1309352 6.3882 M+CH3COO 131833247 - --
({6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 514.0781117 7.0183 M-H 131831371 - --
({6-[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 674.1152851 8.5518 M-H 131833345 - --
({6-[3-(4-hydroxyphenyl)-3-oxopropyl]-5-methoxy-2-methyl-2H-chromen-2-yl}methoxy)sulfonic acid 434.1035385 8.7345 M-H 131832365 - --
({6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 542.0730263 3.1729 M-H 131833523 - --
({6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 836.1681086 6.094 M-H 131833358 - --
({6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-8-yl]-3,4,5-trihydroxyoxan-2-yl}methoxy)sulfonic acid 690.1101997 1.5046 M-H 131833333 - --
({6-[(E)-2-methoxyethenyl]-2-oxo-2H-chromen-7-yl}methoxy)sulfonic acid 312.0303735 5.784 M-H 131839296 - --
({6-[(2-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl)[hydroxy(4-hydroxyphenyl)methylidene]oxidanium 731.1823396 7.8529 M+Cl 131831708 - --
({3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-6-yl]oxan-2-yl}methoxy)sulfonic acid 688.1309352 3.5262 M-H 131833445 - --
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid 788.1622353 3.2954 M-H 131833237 - --
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid 788.1622353 8.7038 M-H 131833180 - --
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid 516.0937617 3.4953 M+HCOO 131833081 - --
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxan-2-yl}methoxy)sulfonic acid 548.083591 5.1846 M-H-H2O 131833073 - --
(indol-3-yl)acetyl-L-phenylalanine 321.1239175 7.4587 M-H-CH3 6950357 - --
(Z)-Resveratrol 3,4'-diglucoside 552.1842913 3.036 M-H 22298557 - --
(Z)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonatooxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-phenylbut-3-enoate 950.123429 2.2575 M-H 50986140 - --
(S)-dibutyl(3-hydroxybutyl)phosphate 282.1596111 2.8084 M+Cl 124306374 - --
(S)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol 295.1810384 4.0001 M-H-C2H4 11860866 - --
(S)-4'-((5-((1-(4-bromophenyl)ethyl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid 582.1347165 4.1533 M-H 53239853 - --
(S)-3-Hydroxydecanoyl-CoA 937.2458899 2.8084 M-H-CH3 11966158 C05264 ko00062,ko00071,ko01100,ko01212
(S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone 300.0997737 3.9084 M-H 442396 C09734 --
(S)-1-(sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide 526.3056246 2.7016 M+Cl 68210102 - --
(S)-(+)-tert-Butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate 456.1386746 10.0139 M-H 46907787 - --
(R,S)-N-Nitrosoanatabine N-beta-D-glucuronide 365.1223001 1.3364 M-H 46782562 - --
(R)-phenyllactoyl-CoA 915.1676396 3.8174 M-2H+Na 11966221 - --
(R)-lipoyl-AMP(1-) 534.0882163 1.643 M-3H 25245420 - --
(R)-lipoyl-AMP 535.0960414 1.7811 M-H2O-H 5288705 - --
(R)-3-hydroxyoctanoyl-CoA(4-) 905.1832897 4.1229 M-H-C6H10O5 46173319 - --
(L-cysteinyl)adenylate 450.0722694 3.1881 M+Cl 123131569 - --
(L-Prolyl)adenylate 444.1158488 1.2134 M+Na-2H 131841467 - --
(E,9E)-14-bromo-9-(chloromethylidene)-N-[(E)-3-methoxy-5-[(2S)-2-methyl-5-oxo-2H-pyrrol-1-yl]-5-oxopent-3-enyl]-6-methyltetradec-4-en-13-ynamide 568.1527764 8.7805 M-H 49787031 C18212 --
(E)-Antibiotic BE 23372M 312.0633882 6.3417 M-H 131753025 - --
(E)-4-methyl-N-[(3S,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pent-2-enamide 455.2784068 7.5643 M-H-H2O 641802 - --
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid 182.0579089 2.4113 M-H 5282145 - --
(E)-1-Propenyl sec-butyl disulfide 162.0536919 1.0298 M+Cl+NaCOOH 91704044 - --
(9S,10S,12Z)-9,10-Dihydroxy-12-octadecenoic acid 314.2457097 6.5116 M-H 25320858 - --
(9R,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid 310.2144096 8.125 M-H2O-H 23724710 C19936 --
(9.Xi.,17alpha,22S)-14,17,20-Trihydroxy-1,26-dioxo-22,26-epoxyergosta-5,24-dien-3-yl 4-O-beta-D-glucopyranosyl-beta-D-glucopyranoside 812.3830508 7.4812 M-2H+Na - - --
(8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic Acid 362.2457097 11.0994 M-H 11588593 - --
(7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside 778.2472856 1.3134 M-H 131751959 - --
(7S,9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-11,13,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-2-olate 640.2757864 3.1729 M+Cl 25245291 - --
(7E,7'R,8'R)-e-Viniferin 3',5'-diglucoside 778.2472856 5.169 M+CH3COO 131751958 - --
(6aR,12aS)-12a-hydroxy-9-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-2,3-dimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one 496.2097182 3.5416 M-2H+Na 637100 - --
(6R,7R)-7-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3-chloranyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 367.0393544 2.3494 M+NH4-2H 9907260 - --
(6R)-6-[(3S,10S,13R,14R,15R,17R)-12-acetyloxy-3,15-dihydroxy-4,4,10,13,14-pentamethyl-7,11-dioxo-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid 574.3141833 4.5514 M+Cl+NaCOOH 471001 - --
(6E,8E,10S,11R,12E)-13-bromo-10,11-dichloro-7,11-dimethyl-3-methylene-4-oxotrideca-6,8,12-trienoic acid 409.9871681 0.7221 M+2Cl 636968 - --
(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt 360.2276524 10.5323 M-H-CH2 23708775 - --
(5Z)-1-phenyl-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 382.1164864 1.2134 M+Cl 1353216 - --
(5R,6E)-3-[(E)-2-acetamidoethenyl]sulfinyl-6-(1-hydroxypropan-2-ylidene)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 340.072907 3.1132 M+Cl+CF3COOH 6441870 C17400 --
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxofuran-2-olate 213.9879704 0.754 M-H 114765 - --
(5-{[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl)oxidanesulfonic acid 500.0624616 4.1833 M+HCOO 131836799 - --
(5-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 800.1258498 7.9292 M-H 131835490 - --
(5-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 626.1094118 1.7044 M+CH3COO 131838765 - --
(5-{8-[1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-hydroxypropyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 644.1199765 1.5815 M-H 131838755 - --
(5-{6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 882.1829707 3.7208 M+Na-2H 131838716 - --
(5-{5,7-dihydroxy-4-oxo-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 528.0573762 5.7375 M-H 73107181 - --
(5-{5,7-dihydroxy-4-oxo-3,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}-2-methoxyphenyl)oxidanesulfonic acid 704.1258498 3.6186 M+Cl 131833306 - --
(5-{5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 499.0546366 2.6865 M-2H+K 131834304 - --
(5-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenyl)oxidanesulfonic acid 642.1043264 4.5514 M-H 131838743 - --
(5-Oxo-1,7-diphenylheptan-2-yl) hydrogen sulate 362.1187946 7.1689 M+Cl 131838363 - --
(4S,4aS,5aR,6S,11aS,12aR)-4-(dimethylamino)-3,6,10,11a,12a-pentahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide 460.1481805 10.6999 M-H 122391249 C21391 --
(4S,10aS)-3-(Ethoxymethyl)-4beta,6beta,10alpha-triacetoxy-6,9alpha-dimethyl-6aalpha,9-dihydroxy-4,5,6,6a,7,8,9,10-octahydro-2H-naphtho[8a,1-b]furan-2-one 484.1944621 5.169 M-H-CO2 10972929 - --
(4S)-5,5-dimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one 520.251977 3.3107 M-H 44575745 - --
(4S)-4-(4,8-dimethoxy-9H-pyrido[3,4-b]indol-1-yl)-7,11-dimethoxy-2,3,4,12-tetrahydro-1H-indolo[2,3-a]quinolizin-5-ium 509.2188805 2.2881 M-H-H2O 92468436 - --
(4R,12bS)-7,9-dimethoxy-3-methyl-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium 540.1492431 2.96 M-H+NaCOOH 25244675 - --
(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-7-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl)oxidanesulfonic acid 866.1880561 3.0207 M-H 131838730 - --
(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-6-yl}-7-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl)oxidanesulfonic acid 882.1829707 4.9542 M+CH3COO 131838720 - --
(4-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 676.1309352 7.2915 M+CH3COO 131833246 - --
(4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(4-hydroxy-3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid 506.1610534 4.1076 M+Cl 131837159 - --
(4-{3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxy-3-oxopropyl}-2-(3-methylbut-2-en-1-yl)phenyl)oxidanesulfonic acid 490.1661388 5.8771 M-H 131837148 - --
(4-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}phenyl)oxidanesulfonic acid 432.0515029 11.2066 M-H-CH3 131833754 - --
(4,8-Dihydroxy-17-methoxy-10-oxo-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-14-yl) hydrogen sulate 438.0984531 6.8641 M-H-CH4 131837338 - --
(3b,24x)-Cycloartane-3-oxo-24,25-diol 458.3759956 10.8535 M-H 76191332 - --
(3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-bismethylene-8alpha,9beta-dihydroxy-9-(chloromethyl)-4beta-[[(R)-3-chloro-2-hydroxy-2-methylpropanoyl]oxy]azuleno[4,5-b]furan-2(3H)-one 434.0899087 4.0616 2M-2H+K 14021484 - --
(3S)-3,8,9-trihydroxy-6-methoxy-3-methyl-10-[(2S)-2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl]-2,4-dihydroanthracen-1-one 574.1838974 2.3958 M-H 21769374 - --
(3R)-hydroxy-undecanoyl-CoA 947.2302399 6.2486 M-H 122706659 - --
(3R)-7-[[4-[[(1S)-4-[2-[4-[[5-(azaniumylmethyl)furan-3-yl]methoxy]phenyl]ethylamino]-1-carboxylato-4-oxobutyl]amino]-1-carboxylato-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylate 744.2490169 4.4132 M-H-C5H8O4 25243929 - --
(3R)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid 532.2308476 3.5571 M+Cl 76315917 - --
(31R)-8,12-diethylbacteriochlorophyllide c 600.2586981 8.1749 M+Cl+CF3COOH 122706282 - --
(3-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 622.0781117 5.5204 M-H 131835507 - --
(3-{8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 612.1301472 7.6098 M+NH4-2H 131838811 - --
(3-{5,7-dihydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid 674.1152851 3.6339 M+Cl 131833344 - --
(3-{5,7-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-5H-chromen-2-yl}phenyl)oxidanesulfonic acid 483.0597219 5.0758 M+Cl+NH3 131834312 - --
(3-{4-[5,13-bis(3,4-dihydroxyphenyl)-6,9,17,19,21-pentahydroxy-4,12,14-trioxapentacyclo[11.7.1.0(2),(1)(1).0(3),.0(1),(2)]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 928.1520646 3.6186 M-H-CO2 131832398 - --
(3-{4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 804.1571499 3.326 M-2H+K 131833151 - --
(3-{4-[(E)-2-{3-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2-(4-hydroxyphenyl)-1-benzofuran-5-yl}ethenyl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl}phenyl)oxidanesulfonic acid 968.2138769 5.9855 M- 131832122 - --
(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1(2),]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid 614.1669267 3.2187 M+Cl+HCOOH 131837552 - --
(3-Phenylpropoxy)sulfonic acid 216.0456296 3.234 2M-H 54514547 - --
(3-Ethoxyphenyl)-(2,3,4-trihydroxyphenyl)methanone 274.0841236 6.7721 M-H 4000243 - --
(3'S,4'R)-3',4',5'-trihydroxy-8-oxospiro[6,7-dihydronaphthalene-5,2'-oxolane]-2-carboxylic acid 294.0739529 2.216 M-H 44182442 C17017 ko00130,ko01100,ko01110,ko01240
(2z)-5-(4-Chlorophenyl)-3-Phenylpent-2-Enoic Acid 286.0760575 1.3518 M+Cl 44141940 - --
(2Z,4Z)-2-amino-5-chloro-6-oxohexa-2,4-dienoate 173.9957958 0.7141 M-H-C2H4 126961056 - --
(2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene 234.0714505 5.2918 M+Cl+HCOOH 14540699 - --
(2S,3S,4S,5S,6R)-6-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylate 616.0329434 5.4011 M-H 90659891 - --
(2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-6-carboxylato-2-[2-[4-[(2S,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]oxy-3-hydroxyphenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate 811.1205272 3.7868 M+Cl 25244505 - --
(2S,3S,4R,5R,6S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid 608.1166057 0.7697 M-H-C5H8O4 6479876 - --
(2S,3S)-versiconal hemiacetal acetate 400.0794322 2.6406 M+Cl 71296145 C20505 ko00254,ko01100,ko01110
(2S,3R,4S,5S,6R)-2-[2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-[(E)-3-hydroxyprop-1-enyl]-6-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 522.2101121 3.5571 M-H 14539960 - --
(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 581.1506455 8.9397 M+Cl 6325002 - --
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-5,6-dihydroxy-4-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate 675.1256126 8.08 M-H-CO2 25200755 - --
(2S,3R,4R,5S,6R)-4-hydroxy-3-methoxy-6-{[(2S,3R,4S,5S,6R)-6-methoxy-4-oxido-5-[(sulfooxy)amino]-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylate 636.9924691 1.0451 M-H-CH2 53477714 - --
(2S,3R,4R,5R,6S)-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxane-3,4,5-triol 508.1792059 4.0463 M-H-C4H8 10720419 - --
(2S,3R,4R,5R,6S)-2-[(2R,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[[(2S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azoniahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol 852.5109314 9.0086 M+Cl 25244450 - --
(2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan 544.1369471 6.125 M-2H+Na 4023574 - --
(2S)-dihydrotricetin 304.0583028 7.8073 M-H 440836 C05911 ko00941,ko01110
(2S)-6-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-1,4-benzoxazin-3-one 343.0903313 9.9989 M-2H+K 641761 - --
(2S)-2-amino-3-[[(2R)-3-docosanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid 929.7084858 3.4953 M-H-HCOOH 131819905 - --
(2S)-2-amino-3-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid 927.6928357 6.094 M+Cl 131819929 - --
(2S)-2-[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxypropanoate 512.0219848 3.6645 M-H 25246182 - --
(2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl]amino]pentanedioate 454.1475065 5.2918 M-H 46878371 - --
(2S)-2-[[(4R)-4-[[(2S)-2-[2-[(2R,3S,4R,5R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,6-dihydroxy-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-4-carboxy-butanoyl]amino]-6-amino-heptanedioic acid 854.3392885 8.1553 M+Cl+NH3 56928066 C04876 --
(2S)-2-[[(2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(6S,6aR)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-4-carboxylatobutanoyl]amino]pentanedioate 912.2664346 4.3051 M+Cl 90657523 - --
(2R,5S,7R,10S,11R,15R,17S)-7,15-dihydroxy-2,10,11,20,21-pentamethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(21),3(8),13,19-tetraen-9-one 632.2257622 2.7625 M-H-CO 12132954 - --
(2R,4E)-4-[2-[(2S)-2-carboxy-5-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid 551.1513141 6.094 M-H-HCOOH 11968522 - --
(2R,3S,5R,6S)-4-{[amino(iminio)methyl]amino}-2,3,5,6-tetrahydroxycyclohexyl phosphate 300.0596766 4.7514 3M+Cl 25244678 - --
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[[(3S,4S)-4-(hydroxymethyl)-5-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]oxane-3,4,5-triol 684.2629356 3.0207 M+Cl 23757206 - --
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4aS,5S,8R,8aR)-5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 434.251583 7.7009 M+Cl 20055913 - --
(2R,3R,4S,5S,6R)-2-[3-[2-(3,4-dimethoxyphenyl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol 636.2418062 3.4489 M-H-C3H2O3 101966709 - --
(2R,3R,4S,5S,6R)-2-[3-(2-hydroxyethyl)-4-(hydroxymethyl)hex-5-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 336.178418 4.844 M-H 45360302 - --
(2R,3R,4S,5S,6R)-2-[2-[(1R,5R)-5-hydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 350.1576826 7.2302 M+Cl 6325166 - --
(2R,3R,4S,5R,10S)-2,3,4,5-Tetrahydro-2-(4-methoxyphenyl)-3-phenyl-4-[[(2S)-2-(2-methylpropionylamino)pyrrolidine-1-yl]carbonyl]-6-methoxy-2,5-methano-7,8-methylenedioxy-1-benzoxepin-5,10-diol 630.257731 4.813 M-H+HCOOH 10555991 - --
(2R,2'R)-3,3'-disulfanediylbis(2-acetamidopropanoic acid) 324.0449777 11.0534 M-H - - --
(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetic acid 446.1424265 9.5617 M-H 10765777 - --
(2R)-2-azaniumyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}sulfinyl)propanoate 332.1154406 2.1499 M-H-C3H2O3 86289933 - --
(2R)-2-amino-4-{4-[(1E)-{[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl}(hydroxyimino)methyl]phenoxy}butanoate 499.1465035 5.5663 M-H+NaCOOH 122706496 - --
(2R)-2-amino-3-[1-[7-[1-[(2R)-2-amino-2-carboxyethyl]sulfanylethyl]-13,17-bis(2-carboxyethyl)-3,8,12,18-tetramethylporphyrin-22,24-diid-2-yl]ethylsulfanyl]propanoic acid;iron(2+) 858.2168837 4.1533 M-H-HCOOH 46173809 - --
(2R)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxypentanedioate 784.2316665 4.077 M-H-CH4 46173466 - --
(2R)-2-[(3aS,4R,7S,7aR)-3a,7a-dimethyl-1,3-dioxo-4,5,6,7-tetrahydro-4,7-epoxyisoindol-2-yl]-6-aminohexanoic acid 324.168522 2.1499 M-H-H2O 11771675 - --
(2R)-1-[(2E)-2-(6-carboxy-2-carboxylato-2,3-dihydro-1H-pyridin-1-ium-4-ylidene)ethylidene]-6-oxido-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate 725.1830082 6.1017 M-H-C6H8O6 90657710 - --
(2E,4E)-8-Hydroxy-2,7-dimethyl-2,4-decadienedioic acid 1-beta-D-glucopyranosyl ester 404.1682473 3.7104 M-H-C6H8O6 16095194 - --
(2E)-4-[(1S,3aR,5S,12aR,14S)-9-(3-Methyl-2-butenyl)-3,3,13,13,14-pentamethyl-5-methoxy-8-hydroxy-3,3a,4,5-tetrahydro-1,5-methano-10,11-(epoxyethano)-7,16-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid methyl ester 606.2828831 5.815 M-H-C3H2O3 101258580 - --
(2E)-4-[(1S,3aR,12aR,14S)-1-(Methoxycarbonyl)-9-(3-methyl-2-butenyl)-3,3,13,13,14-pentamethyl-8-hydroxy-3,3a,4,5-tetrahydro-10,11-(epoxyethano)-5,7-dioxo-7H-furo[3,4-d]xanthene-1-yl]-2-methyl-2-butenoic acid 608.2621477 3.6339 M-H 10995651 - --
(2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoate 341.1025134 7.4437 M-H 90657190 - --
(20Z)-4,6,23-trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol 526.0324599 2.2423 M+Cl 21576527 - --
(20S)-2beta,4beta-Diacetoxy-3beta-(tigloylamino)-20-(methylamino)-16alpha,17alpha-epoxy-5alpha-pregnane 544.3512375 8.9021 M-H-C2H4 11060634 - --
(20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione 624.3509628 4.9212 M+Cl+HCOOH 56928151 C20007 --
(2-{5,7-dihydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-3-yl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxidanesulfonic acid 658.1203705 2.5336 M-H 131833415 - --
(2-{2-[(3-Methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid 337.0715243 3.9541 2M-2H+K 16420151 - --
(2-hydroxy-5-{5-hydroxy-4-oxo-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}phenyl)oxidanesulfonic acid 836.1681086 4.2744 M-2H+Na 131833357 - --
(2-hydroxy-5-{3,5,7-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 532.0886764 3.8782 M-H 131833064 - --
(2-hydroxy-2-{9-[(3-methylbut-2-enoyl)oxy]-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propoxy)sulfonic acid 440.0777177 4.1229 M+Cl 131835219 - --
(2-hydroxy-1,2-diphenylethoxy)sulfonic acid 294.0561943 7.8226 M- 123594203 - --
(2-amino-4-oxo-6-sulfanyl-7-sulfido-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridin-8-yl)methyl phosphate 391.9888366 0.8615 M+Cl+CF3COOH 25246265 - --
(2-Hydroxy-12-methoxy-18-methyl-11,17-dioxo-5-oxa-13,14,15,16-tetrathia-10,18-diazatetracyclo[10.4.2.01,10.03,9]octadeca-3,6-dien-8-yl) 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate 692.0262926 10.5173 M-H-H2O 102571593 - --
(2,4-dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone 582.1889827 4.9517 M-H 14334307 - --
(2,3-Dihydroxy-4-oxo-5-phosphonatooxypentyl) phosphate 305.9541852 0.5669 M+Cl 4337391 - --
(2,3,4,5,6-pentahydroxycyclohexyl) 6-bromo-6'a,9'-dihydroxy-9'-methyl-1',2,3',10'-tetraoxospiro[1H-indole-3,8'-4,5,6,7-tetrahydropyrido[1,2-f]pteridine]-7'-carboxylate 685.0695059 4.9673 M+Cl+NH3 13870821 - --
(2'S)-Deoxymyxol 2'-alpha-L-fucoside 714.4859401 8.3231 M-H-C2H4 23724611 - --
(1S,6S,7R)-1-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6,7-dihydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 554.1635559 2.6251 M+Cl 100929806 - --
(1S,5R,7S,13S,20S)-11-hydroxy-5,10,13,14,15-pentamethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-3,9,11,14,17-pentaen-16-one 614.2151975 3.9598 M-H 23251205 - --
(1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside 500.1920567 2.8839 M-H-H2O 90658253 - --
(1S,2S,4R,8R)-2-(beta-D-Glucopyranosyloxy)-p-menthane-1,8,9-triol 366.1889827 3.3107 2M-2H+Na 10904630 - --
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-arsonato-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside 608.0504584 4.4132 M-H 46224551 - --
(1S,12R,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione 426.2055762 2.9449 M+Cl 90659107 - --
(1S)-5alpha,7beta,9alpha,13alpha-Tetraacetoxy-2alpha,10beta-bis(benzoyloxy)-11,15-seco-1,11-cyclotaxa-4(20),11-dien-15-ol 760.3094919 6.5882 M+Cl 15834626 - --
(1R,2R,5R,8R,9S,10R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 316.1674594 9.4721 M-H 443456 - --
(1R,2R,3aR,5R,6E,10R,11S,13R,13aS)-1,3,3a,5,8,10,11,12,13,13a-Decahydro-1,2,3a,11,13-pentaacetoxy-10-(isobutyryloxy)-2,5,8,8-tetramethyl-12-methylene-4H-cyclopentacyclododecene-4,9(2H)-dione 678.2887564 4.4591 M+Cl 23786288 - --
(1R,2R)-N-((S)-1-(4-(5-Bromo-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)-2-phenylcyclopropanecarboxamide 498.1457096 9.5617 M+Cl 44573131 - --
(1R)-2,3,3a,8b-Tetrahydro-8bbeta-ethoxy-1alpha-hydroxy-6,8-dimethoxy-3abeta-(3-hydroxy-4-methoxyphenyl)-N-methyl-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxamide 535.2206172 3.4129 M-H 10578257 - --
(16R,17S)-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione 402.1467239 2.5942 M-H 455251 - --
(15S,16R,17S)-16-ethenyl-17-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxa-10,13-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-3(11),4,6,8,19-pentaen-14-one 498.2002161 3.0207 M+K-2H 45479597 - --
(1-(4-fluorobenzyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone 349.1841927 2.6406 M-H-C3H2O3 118796439 - --
(-)-Maackiain-3-O-glucosyl-6''-O-malonate 532.121691 4.2744 M-H 23724669 - --
(-)-Filiformin 294.0619264 2.1961 2M-H 14239672 C17133 --
"(-)-Epigallocatechin 3-gallate 7-glucoside 4""""-glucuronide" 796.1698231 3.4212 M-2H+K 102025303 - --
(+/-)-Bocconarborine A 736.2420809 5.3859 M-H-COCH2 443696 C12196 --
(+/-)-6-Acetonyldihydrosanguinarine 389.1263228 2.0437 2M+Cl 181538 C12201 --
(+)-Lyoniresinol 9-glucoside 582.2312415 5.0139 M-H 74256819 - --
(+)-Chebulic acid 356.0379614 1.6737 M+Cl 12302892 - --
METABOLITES_END
#END