#METABOLOMICS WORKBENCH sbhattacharya_20220308_115055 DATATRACK_ID:3117 STUDY_ID:ST002111 ANALYSIS_ID:AN003455 PROJECT_ID:PR001337
VERSION 1
CREATED_ON March 9, 2022, 10:42 pm
#PROJECT
PR:PROJECT_TITLE Metabolomics dataset of optogenetic axon regenerative mouse model post optic
PR:PROJECT_TITLE nerve crush
PR:PROJECT_SUMMARY This metabolite dataset was collected from bacterial channel rhodopsin
PR:PROJECT_SUMMARY expressing transgenic mouse models subjected to optic nerve crush (ONC) with
PR:PROJECT_SUMMARY subsequent stimulation with light (promoting regeneration) or non-stimulation
PR:PROJECT_SUMMARY (lacking axon regeneration). ONC retains retinal ganglion cells within the
PR:PROJECT_SUMMARY retina, while degenerating axons. In transgenic bacterial channel rhodopsin
PR:PROJECT_SUMMARY expressing cells, light stimulation promotes regeneration. Genetically matched
PR:PROJECT_SUMMARY wild-type uninjured optic nerves, or control transgenic mice, were also
PR:PROJECT_SUMMARY analyzed. Metabolites were carefully extracted from finely minced optic nerve
PR:PROJECT_SUMMARY tissue using a solvent system (initial separation using 1:1 Methanol and H2O and
PR:PROJECT_SUMMARY second extraction using 8:1:1 of Acetonitrile:Acetone:Methanol). Untargeted
PR:PROJECT_SUMMARY liquid chromatography-mass spectrometry (LC-MS/MS) profiling was performed using
PR:PROJECT_SUMMARY fractionation on a Vanquish Horizon Binary UHPLC. Subsequent analyses were
PR:PROJECT_SUMMARY performed on an inline coupled Q-Exactive Orbitrap instrument. Metabolites were
PR:PROJECT_SUMMARY identified using Compound DiscovererTM software. Statistical analysis was
PR:PROJECT_SUMMARY performed using MetaboAnalyst 5.0.
PR:INSTITUTE University of Miami
PR:DEPARTMENT Ophthalmology
PR:LAST_NAME Bhattacharya
PR:FIRST_NAME Sanjoy K.
PR:ADDRESS 1638 NW 10th Avenue, Room 706-A, Miami, FL 33136
PR:EMAIL sbhattacharya@med.miami.edu
PR:PHONE (305) 482-4103
#STUDY
ST:STUDY_TITLE Metabolomics dataset of optogenetic axon regenerative mouse model post optic
ST:STUDY_TITLE nerve crush
ST:STUDY_SUMMARY This metabolite dataset was collected from bacterial channel rhodopsin
ST:STUDY_SUMMARY expressing transgenic mouse models subjected to optic nerve crush (ONC) with
ST:STUDY_SUMMARY subsequent stimulation with light (promoting regeneration) or non-stimulation
ST:STUDY_SUMMARY (lacking axon regeneration). ONC retains retinal ganglion cells within the
ST:STUDY_SUMMARY retina, while degenerating axons. In transgenic bacterial channel rhodopsin
ST:STUDY_SUMMARY expressing cells, light stimulation promotes regeneration. Genetically matched
ST:STUDY_SUMMARY wild-type uninjured optic nerves, or control transgenic mice, were also
ST:STUDY_SUMMARY analyzed. Metabolites were carefully extracted from finely minced optic nerve
ST:STUDY_SUMMARY tissue using a solvent system (initial separation using 1:1 Methanol and H2O and
ST:STUDY_SUMMARY second extraction using 8:1:1 of Acetonitrile:Acetone:Methanol). Untargeted
ST:STUDY_SUMMARY liquid chromatography-mass spectrometry (LC-MS/MS) profiling was performed using
ST:STUDY_SUMMARY fractionation on a Vanquish Horizon Binary UHPLC. Subsequent analyses were
ST:STUDY_SUMMARY performed on an inline coupled Q-Exactive Orbitrap instrument. Metabolites were
ST:STUDY_SUMMARY identified using Compound DiscovererTM software. Statistical analysis was
ST:STUDY_SUMMARY performed using MetaboAnalyst 5.0.
ST:INSTITUTE University of Miami
ST:DEPARTMENT Ophthalmology
ST:LAST_NAME Bhattacharya
ST:FIRST_NAME Sanjoy K.
ST:ADDRESS 1638 NW 10th Avenue, Room 706-A, Miami, FL 33136
ST:EMAIL sbhattacharya@med.miami.edu
ST:PHONE (305) 482-4103
#SUBJECT
SU:SUBJECT_TYPE Mammal
SU:SUBJECT_SPECIES Mus musculus
SU:TAXONOMY_ID 10090
#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 - ChR_1WPC_NS_POS_(1) Factor:ChR 1WPC NS RAW_FILE_NAME=ChR_1WPC_NS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_NS_POS_(2) Factor:ChR 1WPC NS RAW_FILE_NAME=ChR_1WPC_NS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_NS_POS_(3) Factor:ChR 1WPC NS RAW_FILE_NAME=ChR_1WPC_NS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_PS_POS_(1) Factor:ChR 1WPC PS RAW_FILE_NAME=ChR_1WPC_PS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_PS_POS_(2) Factor:ChR 1WPC PS RAW_FILE_NAME=ChR_1WPC_PS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_PS_POS_(3) Factor:ChR 1WPC PS RAW_FILE_NAME=ChR_1WPC_PS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_NS_POS_(1) Factor:ChR 2WPC NS RAW_FILE_NAME=ChR_2WPC_NS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_NS_POS_(2) Factor:ChR 2WPC NS RAW_FILE_NAME=ChR_2WPC_NS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_NS_POS_(3) Factor:ChR 2WPC NS RAW_FILE_NAME=ChR_2WPC_NS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_PS_POS_(1) Factor:ChR 2WPC PS RAW_FILE_NAME=ChR_2WPC_PS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_PS_POS_(2) Factor:ChR 2WPC PS RAW_FILE_NAME=ChR_2WPC_PS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_PS_POS_(3) Factor:ChR 2WPC PS RAW_FILE_NAME=ChR_2WPC_PS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(1) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(2) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(3) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(4) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(4).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(5) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(5).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(6) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(6).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(7) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(7).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_POS_(8) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_POS_(8).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_POS_(1) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_POS_(2) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_POS_(3) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_POS_(4) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_POS_(4).raw
SUBJECT_SAMPLE_FACTORS - WT_2WPC_NS_POS_(1) Factor:WT 2WPC NS RAW_FILE_NAME=WT_2WPC_NS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - WT_2WPC_NS_POS_(2) Factor:WT 2WPC NS RAW_FILE_NAME=WT_2WPC_NS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - WT_2WPC_NS_POS_(3) Factor:WT 2WPC NS RAW_FILE_NAME=WT_2WPC_NS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_POS_(1) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_POS_(1).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_POS_(2) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_POS_(2).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_POS_(3) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_POS_(3).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_POS_(4) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_POS_(4).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_POS_(5) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_POS_(5).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_POS_(6) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_POS_(6).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_NS_NEG_(1) Factor:ChR 1WPC NS RAW_FILE_NAME=ChR_1WPC_NS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_NS_NEG_(2) Factor:ChR 1WPC NS RAW_FILE_NAME=ChR_1WPC_NS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_NS_NEG_(3) Factor:ChR 1WPC NS RAW_FILE_NAME=ChR_1WPC_NS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_PS_NEG_(1) Factor:ChR 1WPC PS RAW_FILE_NAME=ChR_1WPC_PS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_PS_NEG_(2) Factor:ChR 1WPC PS RAW_FILE_NAME=ChR_1WPC_PS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_1WPC_PS_NEG_(3) Factor:ChR 1WPC PS RAW_FILE_NAME=ChR_1WPC_PS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_NS_NEG_(1) Factor:ChR 2WPC NS RAW_FILE_NAME=ChR_2WPC_NS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_NS_NEG_(2) Factor:ChR 2WPC NS RAW_FILE_NAME=ChR_2WPC_NS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_NS_NEG_(3) Factor:ChR 2WPC NS RAW_FILE_NAME=ChR_2WPC_NS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_PS_NEG_(1) Factor:ChR 2WPC PS RAW_FILE_NAME=ChR_2WPC_PS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_PS_NEG_(2) Factor:ChR 2WPC PS RAW_FILE_NAME=ChR_2WPC_PS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_2WPC_PS_NEG_(3) Factor:ChR 2WPC PS RAW_FILE_NAME=ChR_2WPC_PS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(1) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(2) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(3) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(4) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(4).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(5) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(5).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(6) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(6).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(7) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(7).raw
SUBJECT_SAMPLE_FACTORS - ChR_NC_NS_NEG_(8) Factor:ChR NC NS RAW_FILE_NAME=ChR_NC_NS_NEG_(8).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_NEG_(1) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_NEG_(2) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_NEG_(3) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - WT_1WPC_NS_NEG_(4) Factor:WT 1WPC NS RAW_FILE_NAME=WT_1WPC_NS_NEG_(4).raw
SUBJECT_SAMPLE_FACTORS - WT_2WPC_NS_NEG_(1) Factor:WT 2WPC NS RAW_FILE_NAME=WT_2WPC_NS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - WT_2WPC_NS_NEG_(2) Factor:WT 2WPC NS RAW_FILE_NAME=WT_2WPC_NS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - WT_2WPC_NS_NEG_(3) Factor:WT 2WPC NS RAW_FILE_NAME=WT_2WPC_NS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_NEG_(1) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_NEG_(1).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_NEG_(2) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_NEG_(2).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_NEG_(3) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_NEG_(3).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_NEG_(4) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_NEG_(4).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_NEG_(5) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_NEG_(5).raw
SUBJECT_SAMPLE_FACTORS - WT_NC_NS_NEG_(6) Factor:WT NC NS RAW_FILE_NAME=WT_NC_NS_NEG_(6).raw
#COLLECTION
CO:COLLECTION_SUMMARY Three-month-old Thy1-Chr2-eYFP and C57BL6/J mice were anesthetized by
CO:COLLECTION_SUMMARY intraperitoneal injection of Ketamine/Xylazine cocktail. Before crush, eyes
CO:COLLECTION_SUMMARY received topical anesthesia using 0.5/% proparacaine. A 1 mm hole in the
CO:COLLECTION_SUMMARY superior-temporal conjunctiva was made, the muscle tissue was separated, and the
CO:COLLECTION_SUMMARY optic nerve was exposed. The optic nerve was then crushed using Dumont #5
CO:COLLECTION_SUMMARY forceps (Fine Science Tools, Foster City, CA, USA) at approximately 0.5-1 mm
CO:COLLECTION_SUMMARY behind the globe without damaging retinal vessels or affecting the blood supply.
CO:COLLECTION_SUMMARY Mice of either sex were randomly assigned into either the optogenetic
CO:COLLECTION_SUMMARY stimulation group or the control group. The mice in the optogenetic stimulation
CO:COLLECTION_SUMMARY group received blue light stimulation (~470 nm) at 1 HZ frequency while the mice
CO:COLLECTION_SUMMARY in the control group were kept in a normal 12h light/dark environment. The mice
CO:COLLECTION_SUMMARY were kept in the stimulated environment one or two weeks after crush according
CO:COLLECTION_SUMMARY to the experimental design.
CO:SAMPLE_TYPE Eye tissue
#TREATMENT
TR:TREATMENT_SUMMARY No treatment
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY Optic nerves from three mice were pooled per condition prior to metabolite
SP:SAMPLEPREP_SUMMARY extraction. Untargeted metabolomics was performed and analyzed using
SP:SAMPLEPREP_SUMMARY high-performance liquid chromatography and mass spectrometry using a Q-Exactive
SP:SAMPLEPREP_SUMMARY Orbitrap instrument coupled with a Vanquish Horizon Binary UHPLC LC-MS system.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY Negative Ion mode
CH:CHROMATOGRAPHY_TYPE Reversed phase
CH:INSTRUMENT_NAME Thermo Vanquish
CH:COLUMN_NAME Thermo Accucore C18+ (100 mm x 2.1 mm, 1.5 μm)
#ANALYSIS
AN:ANALYSIS_TYPE MS
#MS
MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE Orbitrap
MS:MS_TYPE ESI
MS:ION_MODE NEGATIVE
MS:MS_COMMENTS Metabolites were identified using Compound Discoverer 3.3 software. Protein
MS:MS_COMMENTS quantification was performed and resulting peak intensities were used to
MS:MS_COMMENTS quantify metabolite levels. Corrected peak intensities were imported to
MS:MS_COMMENTS MetaboAnalyst 5.0 for statistical analysis.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS μg/mL
MS_METABOLITE_DATA_START
Samples ChR_1WPC_NS_NEG_(1) ChR_1WPC_NS_NEG_(2) ChR_1WPC_NS_NEG_(3) ChR_1WPC_PS_NEG_(1) ChR_1WPC_PS_NEG_(2) ChR_1WPC_PS_NEG_(3) ChR_2WPC_NS_NEG_(1) ChR_2WPC_NS_NEG_(2) ChR_2WPC_NS_NEG_(3) ChR_2WPC_PS_NEG_(1) ChR_2WPC_PS_NEG_(2) ChR_2WPC_PS_NEG_(3) ChR_NC_NS_NEG_(1) ChR_NC_NS_NEG_(2) ChR_NC_NS_NEG_(3) ChR_NC_NS_NEG_(4) ChR_NC_NS_NEG_(5) ChR_NC_NS_NEG_(6) ChR_NC_NS_NEG_(7) ChR_NC_NS_NEG_(8) WT_1WPC_NS_NEG_(1) WT_1WPC_NS_NEG_(2) WT_1WPC_NS_NEG_(3) WT_1WPC_NS_NEG_(4) WT_2WPC_NS_NEG_(1) WT_2WPC_NS_NEG_(2) WT_2WPC_NS_NEG_(3) WT_NC_NS_NEG_(1) WT_NC_NS_NEG_(2) WT_NC_NS_NEG_(3) WT_NC_NS_NEG_(4) WT_NC_NS_NEG_(5) WT_NC_NS_NEG_(6)
Factors Factor:ChR 1WPC NS Factor:ChR 1WPC NS Factor:ChR 1WPC NS Factor:ChR 1WPC PS Factor:ChR 1WPC PS Factor:ChR 1WPC PS Factor:ChR 2WPC NS Factor:ChR 2WPC NS Factor:ChR 2WPC NS Factor:ChR 2WPC PS Factor:ChR 2WPC PS Factor:ChR 2WPC PS Factor:ChR NC NS Factor:ChR NC NS Factor:ChR NC NS Factor:ChR NC NS Factor:ChR NC NS Factor:ChR NC NS Factor:ChR NC NS Factor:ChR NC NS Factor:WT 1WPC NS Factor:WT 1WPC NS Factor:WT 1WPC NS Factor:WT 1WPC NS Factor:WT 2WPC NS Factor:WT 2WPC NS Factor:WT 2WPC NS Factor:WT NC NS Factor:WT NC NS Factor:WT NC NS Factor:WT NC NS Factor:WT NC NS Factor:WT NC NS
(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-2-ene-5,9,12,13,14-pentol 550.8620355 840.1275948 535.9148411 384.3645753 1106.211153 377.5904704 213.2857072 599.3252439 154.3725886 2160.64134 430.3929195 793.5544119 4200.528958 959.8127855 459.1018854 857.9845682 2125.620511 1951.688942 474.4916642 1633.941749 120.9453907 1297.365901 1019.562695 572.2068154 236.2885246 344.144227 146.347446 2970.175204 1902.043676 2060.348495 1351.619848 1122.156572 1602.472122
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate 4433.501222 13739.40198 7317.661343 37182.14909 45999.60189 30238.3358 9303.964774 28746.89819 10711.29675 106761.1347 22413.62031 29785.15102 64049.83501 67404.34242 52390.94882 9962.532142 44444.25697 46633.06046 12111.50538 19729.4439 35714.79586 69048.21736 48180.46906 13098.87483 36466.90969 29245.99143 23311.68534 16949.97464 23336.56453 56801.25581 8141.161673 37949.59248 8116.175439
(3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-Pentahydroxy-12,16-dimethyl-2-icosanone 53.54568941 81.8786441 62.29578279 8102.228704 5142.055698 4039.818262 569.0335301 1576.514327 411.1268929 7206.570831 684.1920456 1258.054966 286.5654791 2309.797648 3065.60532 101.8519077 3023.790724 136.0887651 108.3130351 678.8178124 149.5437508 187.9639895 245.4671127 152.6913768 2464.974511 2152.975976 1444.019439 1460.873864 180.1189219 112.4534277 147.9546529 178.5554619 176.2267069
(all-Z)-20-hydroxy-5,8,11,14-Eicosatetraenoic acid 470.1260497 607.5398235 665.942469 278.9796124 1122.826922 403.5788897 359.8416949 911.3027042 751.7818953 4489.965513 427.0881804 6378.501195 505.3893745 356.2219829 140.5453313 216.301724 236.1767971 617.9457593 176.7858789 581.7063599 430.0634199 1326.06219 2572.797609 2754.286794 340.1397025 662.0356576 466.9024993 924.0590744 3290.645099 938.2797155 1265.81749 1095.348394 632.1649982
.alpha.-Aminoadipic acid 4709.765664 7821.789191 4741.69888 9588.066153 15097.80197 9815.114569 5214.74024 10634.33312 5571.089168 32861.2084 10405.65585 12945.57066 22489.79336 4632.41561 3019.447564 6062.684567 13431.93364 7110.246867 3234.641942 9378.598462 5671.079821 13791.37571 17850.95757 9875.903468 2845.112729 5240.586486 3703.888479 7320.476123 8138.501211 10859.56651 14711.53475 8397.071656 6368.846737
1,2,3,9,10-Pentamethoxy-7H-dibenzo[de,g]quinolin-7-one 209.8831068 250.0798103 396.9925294 520.4071728 1593.881247 394.6358096 85.16368526 194.3449926 161.34967 2334.434879 2484.827393 1601.765368 437.5344845 838.9363774 123.8654632 369.8486519 2607.882296 149.5023251 407.5611297 862.2347668 290.6818823 946.8536539 533.2960641 1350.422592 233.057172 190.9051677 97.83219538 383.5063021 2816.721133 296.1693721 879.3308411 985.7919058 414.3364738
1,3-Nonanediol acetate 4878.601424 9507.289183 42508.81019 19406.34762 19722.79481 81332.64831 9129.293076 6560.99581 33359.60492 55484.22055 18327.65405 32061.71033 31084.1286 13696.73149 12972.23099 12156.5919 15522.61606 13348.52931 10454.85602 14331.9306 15587.56233 17808.4948 27980.18677 10014.56057 6611.316482 9899.773618 22835.59327 19008.96094 17464.75923 11544.54412 15830.61037 16987.51137 4659.836797
1,4,5,6-tetrahydro-6-oxonicotinic acid 2104.63886 4335.643081 1148.280781 5057.139559 11020.39516 5644.499325 1029.628735 2326.098371 795.3827616 25569.67251 7602.12537 7699.716576 12887.9486 3057.501838 2238.166154 3070.629237 11287.88724 6373.248606 2259.11542 5552.789211 4100.488385 6255.71155 5421.328554 3495.266713 2954.002863 2788.96451 1856.658478 9002.573544 7210.677567 6389.536938 10631.07055 8531.754103 4050.716054
1,4-D-xylobiose 5385.285204 2264.175552 3368.985424 32230.93528 27463.5841 23825.4101 1692.950802 12796.71019 4675.592505 119452.9982 36426.82306 43251.8425 13085.41523 9492.16246 6216.99732 49443.71057 11180.06163 22104.10325 6480.284361 10439.90078 13231.88585 23014.80157 41257.03994 18930.36473 2986.780934 2972.890041 2364.193897 124970.8411 651217.0217 327334.218 47610.00486 356080.0234 38889.69244
1-[(2R,5S,9R)-9-Bromo-6,10,10-trimethylspiro[4.5]dec-6-en-2-yl]ethanone 3288.612874 5525.526621 3050.562258 5829.784936 8815.507574 4850.015869 4539.760368 5980.788915 4086.996052 29678.70209 8621.132949 9090.724284 10799.96412 1945.82297 6875.87524 6704.646848 4414.350285 4380.353933 3647.346193 6763.006962 5362.921872 7362.753761 10820.13696 6292.783797 3934.779443 4933.196327 3098.95313 9099.459923 8915.359019 5728.110804 12106.32135 8439.072181 4675.555526
1-deoxy-D-altro-heptulose 7-phosphate 242402.6161 486900.1353 286784.4515 494533.4589 700043.6563 501545.257 182034.3089 324843.7144 203668.3424 2364002.24 698445.0032 979362.52 611144.2899 133524.3119 195204.7581 169791.9443 73751.4741 315794.8864 159064.0879 374488.6639 297960.7966 351358.4019 558544.998 293812.7567 293270.274 325867.1792 270801.5035 770733.3881 592354.9908 337741.301 741309.8962 312489.7259 260054.4821
1-O-Phosphonopentitol 981.0935424 1810.630796 1013.878139 4706.098085 8004.830545 4743.321775 1885.033895 1894.395573 1593.201478 15202.17335 2885.117538 4812.349004 6411.98031 5357.019404 1200.978954 2841.15209 8294.606548 2689.229724 338.239877 3827.64008 1282.681141 8262.688364 3590.377069 2686.681202 1134.969593 2020.25037 1096.818976 5762.756888 3144.582023 4381.395256 3456.673018 3606.020612 767.4503528
1-Oleoyl-2-hydroxy-sn-glycero-3-PE 1459.283544 11830.46688 6101.435812 28975.33515 48300.14252 32856.54074 7079.478817 20874.66947 9194.250065 114654.012 39699.14318 52740.59419 35201.25453 81923.87814 28198.34262 6224.353637 32216.57546 32494.56671 2860.295882 17129.19196 24486.4898 52683.74793 33431.78023 12308.1085 29918.20657 33026.71705 26459.50982 29036.05558 15330.98836 38685.9215 7278.297119 25411.9583 5975.535462
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE 441.9928774 3494.369164 1742.364905 8827.475301 11898.23557 8482.585838 1402.332181 6430.364049 2120.429128 36927.18609 15352.12277 12156.2153 8887.338262 14250.07493 4653.656237 681.2337433 7904.202718 10596.24104 906.4844357 5103.788433 7028.148638 22743.86019 12183.17054 3804.754692 7391.282021 8901.352728 6292.21115 10014.15227 5758.969829 12192.77738 1603.229445 9885.883554 1130.938378
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 96231.16852 211330.225 66673.589 256857.0866 533214.6942 278945.5453 77209.66288 117113.4577 41816.80426 1059079.393 334925.0314 400308.0899 608728.0559 142067.4389 118188.5523 82366.02098 423459.6425 277841.1458 82133.62227 276761.9952 201030.3716 305337.8107 243069.0369 89621.64947 143595.9343 124666.8774 105229.3637 398863.8049 357348.2334 227889.1079 438243.213 247257.9207 183011.5639
1-Stearoyl-2-hydroxy-sn-glycero-3-PE 6399.336774 101984.7739 29652.08715 196186.9994 283601.0774 170137.5374 50368.35035 117405.5125 59605.83664 408505.8654 159870.0303 153042.9074 180781.4518 110921.1073 109580.9632 7973.333014 143073.4593 129443.786 3251.328914 51882.25432 152562.0836 305438.4793 127197.424 12377.54888 138004.4992 161517.5769 111466.1542 139117.6231 37007.51976 153833.9846 16071.59241 70509.96117 16303.75781
12-HSA 3982.185487 9107.898348 8253.228161 17509.87453 22387.87423 33483.51323 10619.43876 9821.314402 95202.23721 49587.96372 19966.61757 430201.4577 27187.40408 15680.05834 13616.51066 13326.0379 13586.30019 13423.77331 10119.60928 15028.41221 21465.59615 24392.44776 17159.47344 13768.54041 12843.25497 11708.61075 24103.11302 19067.13225 20581.16591 12560.11203 16696.16787 16316.59381 5782.024743
12-Hydroxylauric acid 12662.30272 11811.69365 36545.58511 39295.00042 36393.41245 81025.45276 15623.82872 26407.7068 103241.5117 95594.69837 35535.61275 246497.6917 60315.57284 21277.01764 30315.6663 23816.81786 26004.94971 29211.6532 21791.24704 32175.90022 29959.96114 41627.2972 53045.28583 26562.12455 16200.11902 19330.05356 68858.68139 34741.71706 26198.09359 22931.05957 38324.93519 37191.89356 18372.08309
1216595 732.4186073 572.7517572 474.9933727 176.9354121 880.3251448 210.3004278 909.2551535 1628.141337 1885.477614 1492.80588 668.1393682 756.108609 27572.73264 107.9275468 698.7651881 751.6312667 743.9742867 725.7174001 547.0352073 1129.916846 1120.777444 898.7556795 2612.689109 2024.851422 622.1520175 663.9025264 850.0977161 857.8785705 1917.940218 1282.912832 1489.649739 937.5927637 1061.923459
1886839 688.6509416 1008.672303 553.8073055 553.5364468 825.7852948 313.439928 550.0584236 842.3559167 403.0189975 3173.311899 1185.498368 1081.106983 1408.887485 184.1650263 229.2716493 166.959407 201.0226243 715.3992792 147.45607 667.5640878 578.375685 1453.332066 1696.709797 1162.415225 177.3851314 765.1849896 327.4847566 698.144728 848.4296288 701.7973098 934.9903451 657.0384992 774.1356254
1D-myo-Inositol 1,2-cyclic phosphate 48193.76717 92032.77463 25913.65857 55613.25583 107923.9317 52356.19299 26244.62589 53447.53679 23076.86632 652958.1601 292116.6847 161395.3492 63733.33112 26150.53537 50570.41161 37053.8626 40553.92184 42672.1185 48470.48614 43992.19502 94940.57783 104535.8673 130304.1582 38068.18247 103418.1981 37676.39216 55788.99102 98317.26995 132753.6963 37863.36302 90951.98603 73706.59689 33658.56858
2-(2-Chlorophenyl)-6-hydroxy-2-(methylamino)cyclohexanone 36.77810476 50.91160844 51.83583734 332.4291819 1366.722468 385.9639757 55.77117477 71.41349955 73.63195595 11651.51015 603.157741 1721.067984 191.4300335 765.8955401 82.35098676 70.80893748 1819.974397 139.0066487 60.90256099 87.46223229 97.34081392 2339.846396 147.3590017 73.58560751 59.42111159 53.23338496 61.21488932 347.1559999 117.8682694 205.7158649 99.30089646 93.39152447 61.49497812
2-(Carboxyacetamido)benzoic acid 529.1099201 1305.932651 621.1142489 3831.873095 6352.602446 3896.626266 1662.624287 1459.276089 894.9745231 11651.62535 2501.020792 3890.283688 2139.571131 946.9309466 375.040322 586.3075713 4301.213219 731.1076561 380.1851086 577.0348821 906.1382418 5702.738034 2383.795816 1803.806001 1130.145805 1331.75633 825.6998125 1871.918109 990.0537863 1124.37727 1478.3176 1115.676989 568.2529069
2-(Diethoxymethyl)furan 28925.79954 38584.43775 40522.3044 71795.52437 83420.56263 95622.29197 36331.80006 322116.2791 57311.21082 734498.771 485628.559 136775.1166 128694.2517 55902.96554 50610.03795 62392.56395 67370.55771 57045.08283 39615.89842 58976.57639 64191.65472 88786.683 108098.4107 50450.05198 38123.33615 36645.97886 48799.09604 70673.50572 81479.29848 56672.71266 73110.41552 102606.5824 35155.65448
2-Hydroxy-4-oxo-1,2,4-butanetricarboxylic acid 5137.11498 8508.838853 4849.911962 125.0229755 3989.217171 146.7418869 5954.252938 9187.572401 5609.727144 3900.673096 4211.616459 275.5117719 19521.88436 73.51535257 2844.088341 3447.616594 88.74091722 3628.953296 2041.777961 7605.525619 6368.358619 1729.507659 18469.62039 8910.15492 2371.795244 5963.943453 2923.243766 7530.892217 8293.4566 5241.606115 10040.20853 1965.081099 4118.180636
2-phosphinomethylmalic acid 689.8036121 2025.130445 1384.93562 1015.81285 1878.986286 1505.617549 550.8880484 955.8983114 1155.482428 7088.285281 867.757882 3574.436674 4748.513567 2210.494736 695.4117534 1500.229722 2247.198002 1638.03886 676.7114765 2664.257317 472.0272378 1095.574361 1227.292619 2778.392651 490.6865743 1284.532549 632.4291033 3150.193355 3792.227191 3251.454822 2431.230538 2473.279906 1635.300187
3,4-Dihydroxytamoxifen 3325.562442 4656.192917 3727.313392 8693.896322 11704.46583 8895.130253 4468.013188 6911.005449 4960.966301 30863.00306 10068.77392 14011.42974 15305.54623 2703.243404 7289.737249 8083.649387 8210.015686 5828.921315 8509.021103 8529.292935 10430.58498 12126.16135 12109.91642 7936.200792 5362.64777 4735.659642 4339.551595 5808.093826 8957.118326 6823.881728 10278.14229 9058.186984 4552.79432
3,5-Dinitro-tyr-oh 1025.885415 1073.480887 639.5210058 1238.234723 1971.426916 1100.714456 896.040051 1514.113137 981.6978158 4794.684318 1776.918032 1895.846132 1407.506089 474.2855871 332.5342917 387.3573847 1233.770927 957.6959639 210.821122 918.128647 930.710208 2078.624489 3660.053206 2088.585744 846.4630811 1247.749285 876.3566868 1428.866135 1063.486154 486.8567912 1269.566407 484.753412 677.9050512
3-Hydroxynonanoic acid 17966.87802 24582.26135 44748.44538 45960.92213 60934.62822 109621.4651 21269.03159 33350.82215 199582.4464 138831.8598 48054.791 158994.0736 79354.30668 28426.3805 31026.47045 36574.35509 37987.34199 39169.75903 30361.57439 39862.10299 31151.25127 51348.33782 70547.41256 32409.47046 27097.36605 24779.24055 78311.55396 38893.37095 50504.52843 33822.63896 45931.13421 44912.54121 25183.47874
3-Methoxytyramine 4026.255015 2509.320666 3193.56584 7530.794015 8462.775807 5507.572383 1904.121835 10093.02824 2524.591693 20871.25555 6827.179124 8246.265814 17696.01464 2695.400824 7903.42893 2906.228907 4767.530865 5822.609123 4758.126479 11122.58083 7901.278967 8596.56392 16649.54588 7939.527366 4912.736164 5614.151527 4052.446281 6671.72482 10207.22263 11220.30765 9985.94865 9553.878014 3362.709198
3-O-beta-D-galactosyl-sn-glycerol 296.7085285 658.2062224 289.7224374 748.5739746 1299.086349 662.1985213 439.2738208 671.9403368 322.1916456 2557.404288 792.6184587 883.4026435 1078.785495 131.1950483 287.5580503 352.4047498 825.6289658 366.0770853 163.0252837 554.6793599 658.4923587 897.7592449 1260.394995 915.8907707 321.8988412 583.6878961 409.2908956 872.8761452 685.5030125 496.7390481 471.0136899 601.9297034 307.2170435
4-(Methylthio)benzoic acid 14594.19086 23470.8104 15528.68155 12751.01316 26586.09495 15574.84933 21818.61586 36731.55793 23905.5889 109307.2286 34339.85315 47231.775 21892.81579 4521.500458 9128.25752 10566.25532 8136.409432 13189.73934 6743.177083 27404.1042 21877.73103 27077.47944 51774.23743 23441.88473 10302.3863 17163.15539 12704.03178 21224.1095 17848.58336 13081.44331 29711.36414 16327.04677 14293.67671
4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl hydrogen sulfate 940.6819158 1272.966103 956.9997295 2599.604601 2285.292019 2159.667217 1011.2524 1796.409425 1325.918539 5414.486636 1331.627983 3110.606577 4146.980357 2445.131174 1547.162658 2023.123529 1559.85064 1421.378331 1832.864006 1613.202442 1024.226019 2487.83452 3404.101792 1291.782582 770.8184605 1298.553436 1407.446418 1509.789341 2547.128362 1844.818873 2183.689309 1777.512437 1266.803116
4-amino-2-methyl-5-phosphooxymethylpyrimidine 3617.556114 5596.923073 4651.177286 7506.640137 12390.44319 9458.881778 4999.615701 8309.524861 5852.231964 23441.40022 9010.469116 13423.22779 9321.741514 5606.286806 2073.82132 4130.165466 5193.00922 3153.656625 2492.799584 4419.018343 3211.841792 8484.302348 13298.77954 6961.483961 2637.154761 6091.168766 254.4898093 6746.439756 6122.982888 4170.674541 4661.303634 4165.687746 3251.641942
4-Hydroxy-2-oxoglutaric acid 19588.63371 31267.34715 13737.271 22865.70978 45604.14502 22986.94522 21516.25184 33634.23237 18020.55456 81483.97852 21235.91956 23594.12952 64747.13916 16226.10829 10372.15391 11763.08778 32866.47932 15732.34428 6242.435495 27513.8234 18552.2823 38159.9136 68196.47815 30122.34114 8239.125428 6148.968183 9595.971591 28351.81486 26962.07085 22079.60429 9367.767194 8528.451786 17831.91379
4-Hydroxy-3-(sulfooxy)benzoic acid 1002.663597 1745.156906 1753.12092 2245.196863 4860.811985 1483.55305 1647.035927 3626.581787 1405.304924 11514.25824 3318.309237 3051.840104 5631.174994 1186.680147 1499.250827 1675.019137 4295.431836 2463.478767 897.542962 3866.05551 1250.86338 3606.95757 6172.316522 3657.071959 887.0234739 952.1245138 715.0460922 2038.710201 3692.375323 2729.021446 1843.574929 2448.887242 2306.229569
4-methyl-5-(2-phosphonooxyethyl)thiazole 2422.646291 3625.10472 1713.457015 11249.92755 6132.85926 3427.300052 2919.2995 2350.289234 5732.720508 35999.53106 4089.859566 5082.92485 10165.74654 1746.939348 7024.566143 6188.776745 7631.857478 6040.96104 4928.354667 6347.573992 7645.710444 6438.022158 5656.422179 4985.95141 3549.37466 5029.660351 2451.929148 7503.255202 7602.832967 5190.502428 8076.95974 7143.370586 4689.621473
4-Oxoproline 119037.068 132859.1534 118906.8228 163381.3369 228338.9944 160394.2668 125103.6556 263869.7747 170486.4872 900484.0168 221055.5033 374253.5879 348953.2934 205903.4162 71705.61776 130311.0712 191617.9533 188794.0146 61158.96305 262456.0285 89455.84669 282317.4226 340009.2368 228660.7266 81529.8318 213567.4125 139345.8423 440020.7847 251463.9683 225690.3544 304926.7332 232544.3781 188077.0242
5-hydroxyisouric acid 492.5590446 953.0030303 341.5160838 562.1468615 2399.984758 513.2897723 885.213876 1345.222403 553.4154858 7222.835358 1288.869845 1119.403315 863.2633358 193.183914 433.509321 459.9959179 320.747095 385.9222477 225.4849956 886.1408222 1378.501149 1407.401875 1686.534104 583.7406375 445.5039327 765.1377502 329.5814568 1980.969843 796.5499201 409.4856258 1145.202436 522.2283317 383.3905243
8-hydroxy-deoxyguanosine 55989.70627 101803.6214 62465.16498 76935.39664 202032.7334 119683.5206 52916.16621 107387.0985 30279.38326 297433.3852 162377.5338 76221.50786 241671.7174 80361.68957 62543.52683 71704.32582 127117.163 131982.8214 32123.75225 93050.8392 55143.52881 129583.3096 199460.8382 99219.88247 50150.76196 86020.32225 57310.0342 233109.7843 165139.3334 149602.5466 142603.8553 130395.8191 85257.42923
?,?-methylene guanosine 5'-triphosphate 369.1909807 575.2479196 475.1641297 541.2163511 598.1235608 550.2447996 348.7843697 269.8228359 411.1564633 636.4707595 131.4385982 347.3398379 3685.4471 1063.178378 662.3462558 828.3752189 2337.548952 1428.974944 393.282878 1365.783567 174.4359876 588.5389674 694.9021185 641.0214634 70.14006874 61.54556943 318.7308465 2698.550252 2280.201846 1949.780907 1668.112356 1296.368904 1015.883317
[Similar to: 2,4-difluorophenyl (methylsulfonyl)methanesulfonate; ΔMass: -130.0434 Da] 88519.72409 147929.314 105824.9117 166948.7367 274248.5029 208969.5319 102246.4146 170151.1093 126995.7046 536951.9053 205042.9192 294705.0735 376736.1266 374153.0299 104318.1106 161768.4643 211872.5288 159336.1689 94129.24377 171062.8821 78442.2969 226070.9421 304962.0657 169641.6103 58023.81169 121723.6641 103507.0624 258298.0722 230461.5944 178120.1137 206258.8066 179183.7946 136921.3029
[Similar to: jwh-018-d11; ΔMass: -108.2009 Da] 8805.358222 23273.60766 15336.07431 18191.61089 48476.29148 32463.89007 22767.08865 43526.54133 27491.13768 96625.52183 46129.03979 67607.53823 31788.01903 10977.57066 9562.307916 10573.21744 22170.9491 13624.28916 6550.443567 20412.18729 15736.72692 35203.58397 60033.33172 36000.51003 15626.13562 29088.8799 25053.6168 22656.6151 22249.12957 11608.44509 24428.99297 15433.46953 10898.07502
[Similar to: jwh-018-d11; ΔMass: -108.2117 Da] 1870.744268 4641.409552 1856.058338 1993.849941 5294.103885 2305.927535 1870.387746 2993.957061 904.7723751 10990.49787 2208.849733 2874.818374 8083.854126 1850.686084 1386.135265 1853.046093 3916.227809 4862.230511 1774.908974 5146.837694 2221.846165 4699.276536 7096.719698 7264.000442 1014.548456 1980.078093 1093.928879 4682.781683 4916.797402 3124.317687 4623.535548 3362.961731 2385.502918
[Similar to: jwh-018-d11; ΔMass: -108.2119 Da] 626.0064942 1156.606171 1058.99128 874.6676195 1229.896044 753.187203 1037.501244 1773.824621 564.2000928 3932.836841 773.0202971 553.5408632 5762.947799 1745.829248 524.497595 1881.949299 2210.703047 1244.028217 1588.274578 4564.661799 635.1129191 1286.467154 2074.676761 1672.326976 648.3608848 1114.4898 439.8792302 4069.460349 3618.774095 3117.822637 2781.075985 2557.020425 1251.83309
[Similar to: jwh-018-d11; ΔMass: -154.2177 Da] 1870.744268 4641.409552 1856.058338 1993.849941 5294.103885 2305.927535 1870.387746 2993.957061 904.7723751 10990.49787 2208.849733 2874.818374 8083.854126 1850.686084 1386.135265 1853.046093 3916.227809 4862.230511 1774.908974 5146.837694 2221.846165 4699.276536 7096.719698 7264.000442 1014.548456 1980.078093 1093.928879 4682.781683 4916.797402 3124.317687 4623.535548 3362.961731 2385.502918
[Similar to: jwh-018-d11; ΔMass: -154.2328 Da] 2293.322187 3403.92783 2324.973455 826.6348243 3470.378018 658.1749706 2622.571987 4375.60524 2489.234595 19175.95709 1775.100154 3906.734428 8407.007473 324.8960228 1407.121826 1558.640121 672.4749078 2377.205564 1552.173615 3454.338959 2585.43611 1737.719169 8724.82621 5304.467155 1411.238595 3139.330159 1568.743948 3279.36476 4299.600122 3014.669229 5866.501699 1887.531254 1895.335078
[Similar to: jwh-018-d11; ΔMass: -176.3532 Da] 6499.283834 9103.765658 4722.247645 18174.27502 19052.53472 12871.62472 8146.688755 12195.46126 7264.411802 44894.77042 13766.04345 14348.90219 27564.28935 28003.42899 11815.00616 12411.16389 12943.17795 12036.65983 11295.53785 13303.76779 11881.08905 18034.99179 24923.51297 13612.84291 6205.75386 9100.296243 6377.484919 14548.54068 14828.13995 11572.57475 16337.90938 15457.49098 7622.529007
[Similar to: jwh-018-d11; ΔMass: -214.3084 Da] 16664.38422 25078.31985 17875.8696 45860.89194 51687.91253 42512.31686 22294.34767 38433.33952 23924.72577 86833.68645 39266.06732 44368.80835 68181.20985 62409.69391 27519.7074 31249.43334 30966.40021 28722.89911 28789.93295 35950.02233 33162.74859 47164.06644 57456.95617 32765.27267 18962.68376 24174.24963 21413.83598 28826.72788 48828.19249 32752.19755 40578.1063 41848.84518 16730.46605
[Similar to: jwh-018-d11; ΔMass: -222.2211 Da] 15003.49616 25875.72662 14673.14292 9122.591589 33598.56988 14022.45896 14804.75163 25783.48556 18509.91843 27655.80229 27212.53946 25570.17773 36906.53067 6212.364967 8027.553902 8111.397364 13341.58812 10806.33785 5025.198086 22254.34489 16835.21936 20685.81171 37815.3385 20949.0245 10749.15116 17394.77342 12864.61829 15317.78027 19872.65787 14492.82256 786.6756272 9966.39575 11223.37222
[Similar to: jwh-018-d11; ΔMass: -222.2214 Da] 9457.711071 6580.815452 14087.06039 51876.59659 61231.70083 58177.35881 9342.853866 17510.16281 15839.49206 165493.0207 42611.07646 87177.00283 12286.82114 15645.14306 10965.28962 14217.41768 51593.80969 22299.2701 10718.78306 18562.46808 14788.11138 84086.54622 31974.80204 29223.43825 15693.52113 16381.9976 16982.58141 18781.99201 16482.3156 20611.67662 23303.31961 31225.05479 13279.22863
[Similar to: jwh-018-d11; ΔMass: -236.2369 Da] 7224.549645 12979.34369 5169.604073 12846.28398 16556.9963 10900.07926 11337.63164 19316.66145 12865.20583 42829.94667 16872.00549 18387.20632 43957.90675 9958.926007 11007.74476 12955.68974 21478.99023 11910.78151 9148.393892 15797.81444 9934.589393 18716.57912 36987.11353 16780.41435 6576.227119 9007.832561 7551.423166 26355.97606 28299.59363 18647.49382 29482.09861 19550.39268 10652.27463
[Similar to: methadone-d9; ΔMass: -68.3487 Da] 29159.57853 47264.27188 30556.67722 36362.14781 106810.6436 65971.42813 41922.2203 56032.44511 39402.1411 248597.6926 81142.11231 101749.251 145222.9708 58622.25185 47623.85376 53020.38889 72356.34359 56282.66816 37922.31176 64659.12484 56631.67123 89007.47973 115088.995 57676.94121 34865.59681 45340.38909 21845.88542 85410.16008 91793.54838 61440.66537 82038.08632 67069.12036 42990.51256
[Similar to: methadone-d9; ΔMass: 67.7516 Da] 916.548243 1629.029884 1013.066598 1406.747905 2851.550774 1473.885075 818.4108605 1612.813768 514.4581359 5420.790496 2136.099397 1286.934941 4134.395949 1299.646496 926.0835712 1119.509676 2409.75899 1840.814264 696.9857944 1687.593751 858.2749283 2073.593412 2539.627553 1424.704822 757.6062594 1072.97172 589.1913247 3036.993266 2502.730985 2228.328287 2365.986236 1824.127287 1380.241308
[Similar to: Nitrilotriacetic acid; ΔMass: -44.0374 Da] 2966.901269 4284.269038 2960.417343 5002.817637 7626.252438 4739.859533 3076.709838 5296.677256 2857.50472 17407.19278 2063.139384 6399.140284 12394.17064 4219.152638 3141.324207 4169.932715 6623.227707 5140.415588 2612.340899 7255.078301 2553.764615 6861.381877 9977.669174 5733.915202 1955.625907 3850.267418 2570.899496 8518.722084 8973.29398 6024.042419 7296.169173 7388.638164 4735.969499
[Similar to: NP-006998; ΔMass: -165.2425 Da] 5103.950958 7111.248234 4680.781601 5450.072708 12802.28768 7625.234694 5027.114304 8232.428263 5214.263295 28599.50067 9770.014983 13010.24193 17385.57455 5526.016257 4711.612451 5539.704986 10923.69621 7678.982711 2802.026974 8469.933821 3910.756634 10166.63793 14443.9418 8263.03809 2179.278533 5503.643629 3680.846203 12427.14042 10034.65135 7802.359878 9721.428833 6985.772811 6500.903808
[Similar to: NP-006998; ΔMass: -183.2061 Da] 2844.136175 3899.904547 3057.463219 2373.200545 4357.476429 5633.294868 3155.247728 4930.005335 3515.648808 8049.168745 6776.790612 6756.404598 7873.07964 404.418667 1731.236863 1862.301425 3759.021736 1984.020506 1316.186265 3437.900078 2979.677961 4189.195495 9421.567369 5193.123447 1619.356696 3174.433754 2310.708316 3881.725586 3768.831357 3667.488172 4967.660146 1533.628017 2686.95175
[Similar to: NP-006998; ΔMass: -183.2359 Da] 2039.651476 2788.179831 1568.165014 97.00358903 953.321285 119.9517618 1672.515747 3405.54605 1714.361906 461.5082501 1033.711866 146.4140798 4588.003853 63.3246207 642.272924 626.4751117 83.69677074 1090.326333 399.7836321 2527.395925 889.5550423 238.5639622 5264.434359 3611.661463 533.299941 1596.175635 814.8902368 1763.65792 1884.648742 1505.868464 2755.072323 618.8586078 1401.137625
[Similar to: NP-006998; ΔMass: -183.2762 Da] 1942.102534 2835.472284 1589.094112 3189.877437 5599.988405 3690.523029 2118.068153 358.2566842 1951.332903 10283.22155 4469.131292 4789.802275 9033.761582 2093.397216 2503.167678 2406.615423 5062.500952 3300.318192 1850.663817 3046.249757 3183.823673 4088.076977 7032.999288 4114.230095 1921.620255 2614.702763 1520.48964 3419.643467 4450.688647 3305.775429 4634.714646 4136.705496 2230.932755
[Similar to: NP-006998; ΔMass: -229.2116 Da] 633.8149708 1173.918544 690.5289887 198.5955879 395.6029942 243.6407481 846.0973012 1337.881144 831.2358394 587.7084956 498.951489 304.5898736 2706.833072 108.079702 232.8823124 449.7186982 158.0497091 392.0514987 125.3970058 905.8609063 796.7472125 930.4041309 2872.665169 2207.627213 293.5934729 1091.107533 532.3166188 772.4861879 642.2204772 930.3607349 1045.454436 319.7748173 647.0853466
[Similar to: NP-006998; ΔMass: -229.2413 Da] 1150.002195 1765.180688 931.3389129 124.2956443 458.7942852 140.8876697 1048.411319 1722.399923 1084.494929 1117.484384 1038.251941 171.9396838 2406.612214 69.89946126 321.3962096 509.413627 154.7665981 778.1575593 344.1952651 1549.730358 694.7467756 768.3752029 3354.434159 2179.865264 401.0975179 1036.258928 479.6558024 1078.784246 1395.587335 748.4356028 1589.929421 557.2191531 853.5140857
[Similar to: NP-006998; ΔMass: -297.2468 Da] 437.1193348 593.5910667 447.9467455 295.2885202 470.2593588 173.5951994 164.4080371 1177.452827 361.2743129 2539.897837 839.5582129 869.6469032 428.6841003 139.7182704 141.3399732 368.8951713 132.3250898 188.5010013 122.3149821 489.1226417 132.5227416 883.8424235 804.1982259 731.279233 82.62712431 544.6581389 316.9775577 411.8708238 266.4220995 383.8433864 386.1348986 170.090846 620.6207917
[Similar to: S-Lactoylglutathione; ΔMass: -186.1504 Da] 4143.735479 6197.324488 3515.734293 6575.57667 12973.0556 6244.538501 4516.867204 7625.811727 3466.728284 20389.36741 6115.567322 9163.471905 17345.3418 3625.537757 5787.633228 4757.380861 9532.21995 6244.6315 3736.359112 9018.385341 5910.37352 11391.69311 13707.65194 8812.321539 3183.165412 4945.94144 2800.57779 5540.158457 8284.969861 6002.585451 8991.265578 6678.691325 4765.389172
[Similar to: S-Lactoylglutathione; ΔMass: -72.0205 Da] 30184.07181 84475.67132 8818.465248 24150.58493 33896.97881 2430.190982 43367.93375 87244.32774 13604.56133 46681.37818 34076.06732 6139.483745 355035.9607 506.9899537 32205.24238 71096.71153 4770.099608 25291.18331 28586.22474 95811.85898 27495.61236 30264.79877 114523.2888 30263.85572 5622.699711 10768.98147 2169.714818 84573.51726 57250.40717 33883.94402 63752.45562 17352.05239 39735.70083
[Similar to: Uric acid; ΔMass: -0.0201 Da] 3413.757703 5132.837795 4316.883517 4756.715807 7832.62816 6679.672842 3284.638455 4760.075361 4062.743419 15569.25481 5677.2482 8648.992194 10622.48778 2733.223207 3926.304724 3386.695592 7024.72172 4632.826151 2575.365538 6125.696459 3294.621342 8358.637449 10527.8201 5886.47496 1990.477356 3157.128503 2692.882194 6289.673645 6627.413488 5045.948641 6734.61615 5325.807614 3905.068736
[Similar to: Uric acid; ΔMass: -0.0254 Da] 5758.296481 8768.66049 5871.009613 578.9373379 6369.305246 2076.953912 6700.27313 10329.76094 8053.855604 11389.32618 6514.109646 10838.75686 22218.28432 263.1262906 3536.129593 5178.35327 1544.173019 5926.757286 2315.536044 8787.87175 6269.658921 5124.945754 22506.69767 14585.68173 3420.75019 7962.022298 4874.135038 6796.965513 9088.841619 6357.60236 11081.44439 4844.791619 4441.819054
[Similar to: Uric acid; ΔMass: 17.9908 Da] 8849.933234 13785.80418 15079.69003 13245.64868 23699.36046 23664.66399 8786.481574 15998.63864 17424.35381 55914.86044 16853.93973 36957.30376 31919.8558 14736.70199 10656.14679 10926.55294 18477.73149 14545.14093 6105.94803 18795.07698 10896.42701 20935.77571 31284.6423 17616.84973 5351.677902 9663.050622 11482.56674 18487.73773 20816.22332 16143.10485 20592.9519 15975.0074 11634.28688
[Similar to: α,α-Trehalose; ΔMass: -0.0360 Da] 2756.505799 3916.743058 2465.88525 3236.499924 6167.618476 3185.844013 2536.275518 4102.772808 2515.507134 15556.23886 4321.669175 4949.454882 11473.23695 1594.952065 2339.762338 3730.790847 6936.665434 4704.085967 2031.605763 6290.431559 1708.270024 5891.121911 9666.434157 5455.592841 1557.247291 3179.216646 1938.800193 6623.935146 7467.748715 5699.650359 5311.397491 5650.085201 3741.970123
[Similar to: α,α-Trehalose; ΔMass: -0.0828 Da] 10903.82461 23287.42886 14859.60086 22820.26696 37026.26946 23189.33528 10670.84731 16049.13085 10726.83005 126521.8278 39126.53885 46527.44621 28186.2128 5178.903411 10494.86984 2477.127812 6161.92417 14412.39572 4091.180115 19551.90976 17062.3641 19106.62282 34583.97723 11203.96071 14198.78967 17200.89738 12914.04207 35674.25205 30777.66596 15949.86997 35867.20334 5941.605647 13798.77748
[Similar to: α,α-Trehalose; ΔMass: -0.0830 Da] 2551.235949 4361.500651 2797.699122 10841.3896 12138.2897 11485.06109 2649.689986 3454.03527 2976.388703 29744.08045 10133.22948 12635.31304 11015.42957 5166.79039 5937.693257 2553.304392 3688.839217 3772.025496 2718.432806 4088.509578 24978.90504 4167.392214 6387.195919 3128.081831 8835.757052 3297.853537 3138.86557 7344.627511 7272.503549 3463.315474 13699.1323 4112.359813 2170.819127
[Similar to: α,α-Trehalose; ΔMass: -171.0995 Da] 1383.225674 2308.204208 1566.872437 2713.548044 3707.967825 2365.181827 1577.298847 2643.255428 1577.586677 8359.276131 2622.46228 3219.571408 5283.479393 1999.714749 1476.668866 2235.559912 3172.217086 2340.863356 1318.168059 3013.864163 1413.894334 3254.534126 5184.127692 2815.297677 850.9581983 1886.009262 1078.854427 3459.150213 3928.949661 2766.167921 3183.810134 3458.588679 1922.112424
[Similar to: α,α-Trehalose; ΔMass: -38.1412 Da] 1791.590849 2872.516412 1672.707128 126.7438006 1146.252099 149.3074688 2485.602977 3541.117294 2353.109976 1644.525342 1994.40035 175.6075788 7510.011014 69.68497305 1468.936677 962.7439094 90.25228836 1561.846658 590.0985749 2826.155736 2938.115084 594.6980154 6128.721612 3068.783613 1079.061697 2229.052951 1188.454118 2721.587207 2555.780233 1964.410574 3835.91618 906.8100484 1400.341081
Aceglutamide 2376.299787 2035.523271 2009.857825 2352.135762 5649.172059 2764.595759 1563.816286 2275.814533 1141.845211 9236.96218 6578.010202 6799.519018 4468.213411 2247.773821 847.5789974 818.6821223 3395.143701 3587.83685 886.0418983 2703.254688 1580.085034 2835.683891 5730.143655 2625.491352 2097.705918 4791.115886 3016.317639 5874.93249 2445.910218 1924.792404 2878.595336 2317.851856 2718.395435
acetyltaurine 1765.75617 3240.629009 1844.024711 3166.820245 7130.185934 4139.709761 2024.24203 2713.237164 1577.133715 16646.98232 4443.129602 7868.424805 6046.449 3113.175334 1868.798017 1988.124615 7086.626807 3322.419082 1565.126648 3187.191777 2394.27611 4645.886982 8623.184947 6239.520941 1620.080917 2300.535046 1669.482389 4038.980293 5575.657951 3660.965479 5254.118767 7651.067223 3251.188753
Adenosine monophosphate 5436.333042 3072.31143 2243.857596 32569.62844 3904.140325 2952.17894 2191.243099 1615.853156 1085.278062 30871.41657 1616.376632 1561.019694 22260.53577 6004.134818 18215.5496 11404.66714 9633.990757 6654.180103 54006.57826 39912.53457 1837.31097 3905.52997 6471.131907 3482.134458 876.6794488 1507.178 557.5482202 11838.0923 33606.59545 8006.50034 13366.45765 35146.38383 19733.30329
ALA-PRO 56960.16604 73996.77884 56233.34621 148550.1729 209909.534 159157.1167 78206.43092 105624.2715 82680.96282 475633.1538 148895.3281 226069.8701 265265.4953 40301.80011 133454.0232 135601.8664 139332.8682 107686.283 148015.294 146051.6851 208766.3398 25090.23038 212463.6394 150145.0909 104652.8832 83024.4196 75287.08526 92852.65844 147561.0502 120181.1077 174043.3193 160056.2102 72709.92046
Allantoin 1691.108815 4059.921266 2292.321259 3794.532805 5607.16103 3564.672505 1900.181145 3987.354565 2466.866692 19293.76855 3974.443794 7478.802372 6003.165457 1990.696008 1946.126765 2355.534658 3905.292051 2349.68046 1412.738454 4016.984699 2372.359603 5335.528053 7650.02807 4281.128121 1546.244015 2115.54463 1603.671922 3883.311466 3827.712641 2472.979374 4809.548325 4644.772701 3419.454086
Allopurinol 294322.807 476398.3149 296088.6672 490076.1619 851756.7351 530810.0724 316679.9748 583533.2465 344939.3816 2631971.196 566210.5848 885989.4465 1091372.618 455293.8243 221798.7919 307445.4244 682095.6053 504466.2825 196616.1556 724880.6854 344206.4215 907338.985 1072513.399 680129.4982 226821.713 448510.9355 289157.729 653008.4277 609685.9544 453989.2171 735581.0681 519551.8496 386694.1768
alpha-ketoadipic acid 422.5721319 2764.405314 899.8467427 4362.708775 7909.89724 5566.568206 1695.387909 2592.788729 1173.340341 10295.05354 3750.644836 5529.85347 7017.409574 11593.392 2318.191966 3906.076321 3967.485611 2566.595426 1776.117474 911.841001 2728.375444 5057.317285 6426.048366 872.5922074 1781.836325 1961.035341 1362.571788 1585.634368 2977.371694 453.9192581 5357.098794 955.749274 368.9998514
Arabinosylhypoxanthine 683507.8922 1202957.408 705720.2309 1063999.714 2266439.722 1319904.353 787108.2117 1363781.341 365296.4974 4151934.079 1627869.943 881346.6903 3399679.917 928932.1827 763181.0042 866557.3918 2004225.596 1357953.393 615923.5334 1481380.982 735560.1802 1575699.546 2353934.45 1346398.699 562519.0603 980992.3818 649426.8385 2300483.545 2077622.952 1601634.947 1767329.338 1652046.129 1123407.437
Arachidonic acid 505.6764228 5779.783945 1004.494597 4482.912768 10015.1264 7137.76421 1447.16056 8253.980647 2861.331909 6463.744583 10602.89719 6918.014752 6574.041383 1460.891991 2551.762892 798.4032429 2399.795966 4073.046662 280.0662013 2397.739554 6313.85034 5452.349715 11495.56493 901.8805062 4123.591523 7736.248732 6590.668701 5633.624029 2387.601883 6356.453989 1888.166359 2207.543669 1280.650801
bendiocarb 1899532.755 2824534.81 2147962.579 5006701.919 6300565.909 4841179.878 2298072.255 3807284.4 2614610.374 14399980.93 4784886.932 6246654.815 8182796.188 4356052.959 3217763.122 4197698.257 4217681.82 3179806.327 3860775.63 4313505.057 3414265.702 6239452.231 6905192.102 4224101.459 2260564.38 2835631.162 2383648.683 3844428.895 4739309.189 3747721.239 4797267.852 4637461.456 2652589.01
beta-D-Mannopyranose 56485.23098 76945.18912 62106.18394 128783.0288 214219.8912 155642.3566 90010.63067 128823.6924 98345.99066 429931.6532 160376.5693 216848.6806 180190.2773 17108.06537 49268.81358 67766.17241 93660.96305 71401.65251 46824.2889 89214.0742 118859.3462 178136.4477 257298.4171 151031.0759 70765.90818 95875.61356 75937.34111 87528.23217 107061.4935 73273.1835 105196.8881 90755.1936 49400.78795
Cantharidin 19534.21781 30964.73669 19127.62775 72044.85798 85648.76442 124735.6428 37551.118 47223.34335 449550.4062 234771.4882 66816.22562 196954.6302 104143.7071 31600.08391 39913.93966 56844.06563 59035.57606 25898.80669 45039.42456 54734.59426 69019.99982 80317.06941 92822.72997 57641.15288 40585.27064 46150.91603 62537.91179 51211.1646 68812.86834 34906.39519 58046.8883 60423.86353 26875.30642
Carbocysteine 4850.83436 10041.75141 10699.93979 13342.0847 38302.04525 17189.71403 15179.2865 1757.447978 7358.887245 181511.4339 55702.5412 71323.18231 31653.40687 1942.393406 742.1264172 37386.68938 64785.81467 55753.72525 14772.73238 1798.925965 16466.91184 2669.687976 47034.25532 72559.2775 16559.84105 2427.278334 6441.952795 58650.64732 6725.564274 64445.94063 67951.2017 110880.6594 4848.076077
CDP-ethanolamine 5388.211206 8994.95028 4565.408174 11016.83867 14670.21204 6389.09517 5139.58426 5754.962328 1956.559416 28371.46561 8717.037415 5505.095157 23949.28029 4458.972067 4470.072357 7437.8434 13024.87649 7287.105398 4190.272805 10668.51471 5581.682743 9629.671078 18182.45764 11466.39665 2882.541873 4665.983611 1155.529946 12977.66875 14239.30967 9179.725799 9423.025046 9239.749114 7592.50315
Ceftezole 303.1237395 837.1712851 448.7005635 1435.568589 2857.304371 2094.089139 283.2502937 537.9568211 255.8851029 2324.041907 1840.603037 3225.030921 3275.595872 621.2394551 469.5313259 276.6474855 1444.939169 1302.214344 332.9518911 963.1713113 1101.51498 1575.355447 1194.477516 472.4033104 772.4597452 559.6336999 730.35083 1348.766871 1738.192886 1146.368749 2404.090037 936.5674226 700.5676316
chlorimuron-ethyl 753.0503094 1063.284416 1336.618106 1474.342768 2869.405455 3431.514745 1515.112766 1292.748129 2067.157446 9429.669172 2864.464674 5766.953394 5269.023585 347.3012674 2238.403803 1898.348105 2038.69071 1929.31868 1849.789612 1907.171439 2795.642277 3031.417949 2864.573012 2014.775372 1582.110333 1057.81036 1439.001537 1706.88102 2747.379525 1415.578754 3288.935745 2343.528812 1556.83735
Citric acid 25072.48302 27889.83001 35703.74132 92837.10474 166880.7683 110231.2726 21425.53963 44882.63837 33782.81935 433845.3165 111757.1113 204467.3555 44532.26609 34614.91938 22951.9975 32910.28555 119103.6249 61899.90598 26438.89072 45139.18096 33535.28136 174074.8856 80456.09455 73967.58244 37417.71818 42044.66836 43337.89821 48976.60517 59208.52614 54121.71519 63790.53872 76512.70913 35526.93518
Creatine 100403.9587 146448.1929 110322.869 144009.3918 280668.9982 184645.949 110021.9978 177486.8245 123589.9667 608499.8802 190296.5564 287916.5999 474160.1242 112507.0144 117637.326 143310.6696 260143.4679 203770.7251 94372.38712 253719.5614 113227.7157 235031.3018 376292.0392 227549.8864 82407.23276 129258.8939 98920.64945 253249.9801 307096.7087 214410.0761 249941.7685 224384.7222 159440.8262
Cysteine-glutathione disulfide 8869.633087 2374.153617 7668.592446 15726.05048 22278.32447 14156.79085 9398.473762 26199.49941 17601.71899 41955.00765 10539.58058 14338.54662 6607.657627 16154.3031 8025.027563 6031.392256 18516.56367 9317.87939 1217.301771 25630.8639 1764.388348 23598.31854 21934.89211 18055.93537 1394.396202 16578.5467 7847.586484 36719.71771 24599.48341 14312.72023 17300.47755 4281.177179 24895.76709
Cytidine 1257.038056 3283.82426 2237.930854 2262.326368 11440.81906 6845.37215 2018.857806 4240.669313 3638.443066 11668.20756 7553.136738 10822.72287 4812.520635 1936.797075 993.4527221 1270.993207 4111.983013 3394.529753 440.425501 1636.715149 2337.864405 4556.199466 7071.651194 2718.863005 2378.876847 4435.418404 4017.243408 7424.01772 2645.387756 3004.972048 3405.571311 2138.077861 1490.144296
D-Gluconic acid 9276.375568 16827.73864 11537.56888 19715.40303 31726.12364 24881.36947 12819.69446 24442.49042 17139.6233 79274.59944 31027.07088 46853.74307 21013.29678 6521.117775 8291.77606 6971.693081 14115.21601 786.500091 5827.498322 13645.94106 11255.1708 29905.9688 36780.16639 21815.26913 9396.556163 17074.38596 14047.51284 18800.15275 15770.61281 10839.36086 16764.23116 16739.61695 9935.822807
D-PANTOTHENIC ACID 12898.83411 34647.50896 17301.18731 13890.20928 45481.46086 21349.75917 12672.06241 37944.26192 18167.69781 143013.7108 25531.12464 43161.29456 76241.28823 20689.33012 12168.5011 24445.82133 56624.11068 21760.67453 7260.654986 47465.0502 16783.01758 38110.09016 45414.08285 23535.79083 8381.636141 30553.52397 18038.86016 54852.89438 34328.99618 44714.51249 59734.3157 24421.95643 19024.65062
D-Xylonic acid 5847.297702 7950.430408 8869.251878 14351.54075 27813.64323 25215.6817 7452.301437 15645.47384 15226.47429 60761.85756 19890.96404 40724.7744 13481.12017 15038.33602 4820.627848 7874.077818 21158.55663 9231.926487 3307.900923 8092.433836 5949.297505 29147.24501 24266.55 23336.52228 5925.772349 10684.2692 10867.11507 13264.95013 11322.59198 9199.07158 15709.61827 11309.99217 7168.564119
D-Xylulosonic acid 757.8381689 392.738272 294.2208177 6198.557157 31098.24508 25465.42375 322.4705749 484.8496807 757.5951059 11185.37305 2833.726258 9628.420738 1193.730948 22991.86021 455.974883 1072.980804 62749.30454 3724.69612 424.0800323 563.4481144 582.1788946 29462.35168 1105.694513 3161.76244 1639.738893 3133.217298 1501.691325 936.6644341 701.4375954 702.0985845 5340.799563 4475.767656 351.1201423
DA9185000 381971.7498 539701.1235 396259.1133 417558.981 919305.9142 493123.4611 337528.4253 570290.4148 358473.5773 2025686.022 587042.9265 858956.3641 1175772.794 263969.8519 367813.4814 342853.2072 695227.9027 510787.807 186230.4787 649456.233 301272.9958 799436.4871 1113667.262 663613.7855 167586.3002 361259.3295 232616.3602 635346.6987 690134.8423 518487.3364 680825.271 539961.1118 378288.4563
dehydro-D-arabinono-1,4-lactone 5434.162272 8310.331844 4564.819065 832.3377944 8373.448713 1232.662888 5549.793384 13036.84357 8995.606231 9755.366075 6316.457448 7411.181677 18096.02071 587.9080382 3112.987064 7334.45671 729.6965543 3360.688474 1250.204975 5900.683164 3336.505648 5400.914195 25295.96169 16203.67965 1645.143116 9893.642298 7178.113654 6106.643055 8051.948534 5568.195242 7438.949581 2899.421637 5066.060701
DEHYDROASCORBIC ACID 27386.80002 44519.06789 23884.00345 1426.510254 21468.94504 1689.191973 54024.43297 50609.5359 28007.97655 29678.27668 25574.24088 3906.963899 94956.61832 348.4820034 15169.61298 16325.06501 765.3756188 19876.59724 9932.089841 36731.6696 26351.29515 14170.03434 83337.41277 43388.54343 13084.30979 27669.88318 15625.15635 42120.2008 39645.60015 28210.44717 51470.13262 18896.42784 21650.71247
deoxyuridine 1206.910843 1669.574577 879.3833654 1632.373585 3593.404103 1835.242512 660.8804556 1775.397474 474.4648638 5715.909081 1682.894588 941.6715522 2116.127681 714.2572068 632.8219196 959.1460554 1545.204123 986.7237014 585.0996439 1504.403149 1076.378138 3416.324259 5825.47712 2358.682059 563.1621277 1051.512975 874.4318034 2414.901896 1699.978637 1324.388568 2104.190513 1983.046985 1034.459443
deoxyxylulose monophosphate 244345.4198 469249.1387 282089.2089 520669.0456 700167.2231 520364.9755 180988.1882 324843.7144 201730.6042 2419290.61 735976.469 995468.9053 599371.5697 139529.9064 196030.9879 163852.5672 126549.5694 318599.8055 157613.1985 369916.8736 308493.8034 361430.1016 540550.7873 295068.3331 298786.9489 327919.1015 281950.24 774737.6269 570915.6667 325428.7935 739757.1792 313014.0044 249830.6403
Diethylpyrocarbonate 4457.275958 4931.857288 2574.898012 46600.31706 30648.58408 28174.90365 5005.14817 8996.898998 4769.73991 23615.19283 9754.242348 10931.49832 9411.801332 3577.986575 3579.581819 6009.630375 6496.686455 4559.288622 3786.146772 5844.312849 3943.031552 9725.356273 12756.6644 8091.241556 3734.233014 5569.008822 3788.111512 6815.013359 7619.951406 6853.243524 6973.808602 9748.247518 4888.03071
Dinaciclib 39.04817084 1463.172241 246.6119944 862.776439 1914.764919 1335.325541 442.016053 1127.39133 586.2280378 1046.897542 1367.434579 1097.54323 827.8201183 96.6267647 182.0338172 69.18663297 178.6893124 533.2064016 61.50174546 133.2434584 1524.51752 1583.401692 1445.136346 74.71461359 739.8589288 1423.021271 1336.873552 771.9332211 112.2489625 668.8900638 147.8447361 189.3267616 51.40765619
DK3970000 390.4740184 178.2185855 278.9477673 728.3794735 1249.657913 643.4413212 474.1689368 500.3443989 358.6275507 1378.929935 331.4572466 678.1541043 972.0267326 177.2548103 606.4765678 284.0928405 600.621663 322.4245517 247.3194098 319.6632275 436.0218825 538.6234008 861.6089628 730.4907373 303.8462238 233.833585 286.5288427 432.659837 2290.229499 1357.791422 482.6652706 449.2511795 225.9409784
DL-Arginine 6926.239698 5786.723778 6571.615731 14497.67112 18569.31357 13843.66016 12064.95729 14818.39869 11801.036 57570.8115 23781.95577 30108.41611 18826.09569 5117.916253 9136.947685 7876.452594 11233.45611 10344.09866 5001.512167 12102.65618 11633.32211 25022.91944 36685.441 19996.47406 10558.6114 13497.84983 10010.84602 12768.60697 15028.63042 9456.16127 13013.04043 11717.72074 8325.600447
DL-Citrulline 2255.70509 2912.415004 2384.421459 4096.821538 7746.097842 4391.184937 272.030564 6555.445241 3778.609638 27743.7544 8880.091023 11369.29023 3840.107486 1539.256275 1254.922705 1576.10942 2561.913356 1726.750967 862.7133359 3737.205349 3599.693521 13712.96078 12511.37306 6875.055737 2484.969743 5641.876092 4220.047078 4061.387071 2769.418847 1905.057445 3765.223333 2802.591766 1714.322774
DL-Histidine 185.3166846 10972.30716 9499.701616 14016.55783 24924.90859 15062.53268 13012.78428 22544.91995 13577.00328 68938.73123 23804.08015 30136.9916 20880.78417 3988.865193 6055.442266 8686.223296 11497.11054 10430.36649 4660.814449 14865.35982 13011.98007 27337.28372 42482.00745 22531.08347 8717.492859 16079.79076 10424.4057 13902.15865 11948.48649 10271.12981 15663.32099 11712.70091 9004.560562
DL-Malic acid 100076.0003 130766.0624 92996.97603 477992.0232 189594.3488 1210435.128 99996.35385 178116.0588 114063.8254 615038.7576 163353.5664 536180.8205 318336.2143 106517.6482 262302.6198 131067.4916 176543.9622 138144.6617 71559.65681 203315.3704 90359.9723 225733.6914 321762.2535 220377.261 617651.8886 110201.5789 71307.33906 234696.9489 217298.9607 146076.2339 228528.6895 178186.1426 140353.7775
DL-Tryptophan 6169.470531 8301.365067 7770.374751 6561.830465 12989.35047 9607.051403 5877.754447 12926.21493 9488.782334 32907.10921 12906.83548 19432.85148 12951.73646 2944.230483 3289.98127 4285.412718 6111.413601 6327.324304 1990.077964 8426.463686 6495.887404 15595.68439 21881.30223 11296.45955 4937.969195 8886.015257 8165.783195 10414.67348 7696.038478 6428.375837 8933.411238 5550.075563 5749.995883
DL-TYROSINE 20176.20824 21754.00199 17849.26997 24308.81987 46299.25935 31757.6382 18794.33825 30238.07355 24638.65284 97266.64854 39876.3505 53725.02963 31780.1123 10782.52018 8076.255195 9038.683272 24444.82418 20608.22976 5910.863824 17408.01717 18739.21535 42669.3683 71712.77847 44309.62815 14686.08317 24387.75803 22572.6718 32766.46772 24929.41125 12719.67252 33963.03261 17763.83038 16246.24265
Dynone 841.8657176 995.2261043 984.6381484 2963.627423 3535.035177 2348.366521 1344.231827 1576.083451 1110.507964 6792.595558 2897.408782 3671.252401 4181.726541 460.6067558 2179.257697 1460.109353 2188.506446 1293.644033 2356.438102 2198.054382 3636.274079 2877.961848 3980.416182 1503.964648 1387.326507 1128.738114 1248.769577 1738.553378 1488.526488 2155.153458 2193.031292 2545.988908 1108.703784
Elacytarabine 1658.743218 24211.54776 6835.366747 37481.66526 52637.11248 29840.60851 11639.38357 23437.21386 9955.257992 58001.18371 18835.27095 14111.88681 62377.94221 15177.10252 32952.97305 1837.1609 37293.06417 30651.42785 1079.948727 10389.785 29700.38246 55517.88179 26571.74685 2139.259824 25828.42428 31976.66571 18335.65265 31732.08685 6356.319385 35447.92729 2139.776948 16203.45303 4587.939207
Erythrose, 4-phosphate 2477.251309 16953.10803 5202.182125 4192.373856 2314.666031 1177.780304 2419.688426 6275.827505 789.2584635 10031.37409 491.6920763 675.3769048 46523.88737 2867.230781 1738.421303 2672.808716 7301.509055 2468.651336 1354.526809 3792.73338 2893.924247 5150.407646 4598.930009 4389.930695 452.1191566 1017.681634 226.1576713 5373.574148 9733.97866 5173.717414 6713.213117 2792.559866 3714.57008
Etoglucid 1630.309046 1607.441482 1174.926774 3835.387352 7273.13899 4506.015615 1699.839578 4445.143369 4005.19886 11837.80219 5819.79174 7396.89134 9733.264171 6216.827979 2848.69073 3539.000634 3789.549573 1766.220483 1967.331104 2467.857412 3959.539849 8577.790682 21143.56802 7614.364033 1799.328704 2484.833945 2450.137893 13905.88251 9277.51608 8100.033973 8214.361208 6256.643776 3270.500477
furoic acid 1031.76986 1180.115377 1098.266496 2448.556878 1944.545924 2560.588296 784.4709793 640.5960166 558.5464806 6228.123458 705.2170866 2810.1683 9016.512941 3894.283164 2181.143275 3877.347695 3856.345794 2864.810877 3092.375162 3636.10994 960.6993794 2297.451343 3092.185285 2787.815539 732.6915953 352.3631627 629.0026265 3346.785796 5904.739794 3789.588082 4744.776414 3831.523171 2071.106686
gamma-Glu-gln 1663.059894 5999.26929 2191.311603 5368.952524 22950.0906 15932.96787 1563.131846 1446.304727 1307.387122 36491.76614 5993.036937 7911.478748 8655.16441 3689.415831 4546.218067 625.4060889 16494.90047 13501.48307 3233.349798 6514.174153 1413.354039 12995.04712 1455.986812 250.1321716 2507.313435 2003.67919 1846.07887 5642.747274 9056.454768 15911.32896 5528.94922 4231.142879 5074.891394
Glu-Glu 2340.746572 3876.097126 1655.735114 4023.219085 6003.758276 3967.359267 3039.085357 3410.202445 1479.83976 26774.74615 3254.628294 6152.723225 22139.99188 10207.62543 4763.338085 6734.863962 15106.61722 10025.0656 3822.584766 16279.45617 1605.931377 7475.730937 4394.559899 4132.854498 1430.151116 2570.034192 1284.28269 16610.56884 13339.88824 16789.67369 17913.88783 11723.5801 11175.46351
Glu-Gly 752.7994525 987.5264501 693.9163645 1513.554913 2547.69206 1225.805045 912.5736195 1342.228421 736.0944963 7026.128461 1890.393043 3379.018167 1638.416027 734.3527529 294.9970749 395.3232914 1431.076547 950.1489066 515.4582799 1504.621155 750.0001396 2755.891534 2967.683886 1510.828043 373.9672209 1071.196112 565.3572456 1896.180748 1413.524677 1453.449716 1624.816784 1538.746289 1017.005477
glu-ser 904.4020483 883.2984652 653.6399709 1726.998961 3150.252468 2055.245816 933.1993695 1238.57857 672.3555673 7780.446636 2416.509367 3432.773075 2253.065812 772.6534976 664.0194606 637.260325 1494.029017 1344.786791 447.5667373 1549.44853 989.8544177 2377.614577 2723.448095 1365.301726 722.5282716 1050.88022 694.5423879 1615.176217 1343.892146 1287.668482 1781.913809 1399.917577 1095.967043
Glucose 1-phosphate 222138.7397 370257.1795 265520.9855 294674.3085 500755.4091 283416.9002 282245.3926 450733.4243 331683.9936 1607277.727 488135.3884 490237.4853 390332.5622 104005.3229 110451.8423 159089.5013 200758.9063 185361.6456 74308.9359 245067.834 271833.7875 618924.2791 785171.1424 533376.2604 196343.0816 359369.5463 217984.9099 455269.1597 232503.1986 154494.4542 284228.7959 171774.5189 117807.9781
glyceraldehyde 3-phosphate 47881.58012 40653.06023 36816.95693 56629.22372 66352.71038 27558.06784 59513.76588 104300.3133 41462.69896 325645.7913 22128.33304 33314.58187 157611.4157 28339.62983 9047.632262 46013.49396 59691.21171 42836.87858 24738.00939 133314.3617 31751.19989 152621.9518 166176.3788 149567.5376 21289.45941 46861.85652 12955.51871 89622.66456 57544.88 28715.61813 43968.4834 30617.47083 49907.52156
Glycerol 3-phosphate 26205.48811 41278.01028 40065.56344 17580.8561 83969.01113 54260.78616 25300.45264 110433.9675 92916.4212 95774.5338 63942.757 97922.64125 89688.22135 33279.69188 21241.35851 45047.40462 57659.94522 42266.41765 18159.90981 35838.15994 14865.47468 103881.4627 149873.1882 128085.2078 21191.70508 42374.04205 56889.92317 68030.6185 79002.2188 63727.15678 44488.99394 35682.9189 47162.70346
Hexaric acid 7158.202412 6365.550068 14816.16931 24642.81173 54433.5436 37085.90221 7690.195691 16478.0786 12437.5518 149629.3578 41476.81927 78148.0166 12467.45835 8013.492719 8697.983193 11682.91856 31593.0708 18958.01951 9915.986857 13421.95396 9973.457898 53565.22453 28073.41348 31727.17124 14496.15176 16054.39664 19602.37414 18260.4001 22954.44741 20616.98244 23630.43194 30641.89132 13012.82348
Hexose 1362.505281 1881.362259 1613.136657 1467.702019 3042.775111 1762.650438 1244.633753 2179.06382 1384.989951 7415.179735 2174.412433 3020.423894 4467.374637 743.3066787 831.0509535 964.0908429 2840.86654 1890.784843 513.3624355 2238.189055 884.2106597 2895.418318 3579.799584 2440.522991 460.2313981 1156.229224 742.7495848 2380.461121 2241.665063 1846.513919 2394.644595 1501.558201 1346.936409
HIL 1362.876014 1763.054349 1306.472247 2202.831006 5113.338829 3350.625548 1781.061786 2900.167275 2157.105382 9018.881825 2510.888199 3203.501749 5300.107509 190.520906 2047.758906 1837.634971 3304.892686 1944.644324 1042.696418 2700.976228 2928.557215 4862.567247 6357.997009 4019.607763 1958.648674 1503.207115 1475.143215 2329.508772 3047.784823 1825.93997 2722.759299 3150.853198 1218.655211
Homocarnosine 6237.444671 8686.823654 6616.383009 13029.94873 20633.85059 13411.98531 9886.158344 12261.00952 8556.079023 36697.06825 12252.22798 14758.12831 24046.84609 5558.045267 6625.533961 8337.65078 10817.53769 8136.176346 4943.963241 10504.88051 10257.53631 15036.68205 26147.11014 13780.77528 5693.201004 9007.760519 5136.387264 10307.46597 13157.4407 8771.347934 12791.06171 9643.480397 6973.254117
Homovanillic acid 1949.797753 2650.8846 1890.807337 3003.614364 4027.596099 3398.537986 1485.874169 3302.177939 2681.858682 7351.136501 4172.642194 6039.233805 3968.805737 1273.811057 1431.029428 1910.617454 3117.386146 2984.8793 927.6989393 2276.069047 1350.032373 3878.731088 5033.297283 3240.89734 1951.628747 2993.207691 1951.955196 4144.742468 3875.594738 3118.693652 4126.815134 2639.447623 2780.993299
hydroxyacetone phosphate 2400.728316 4500.105012 3650.489568 11698.74941 17136.25152 13338.14545 3321.337825 10668.98528 7207.297774 27400.48537 15916.11356 27921.42356 7217.936016 7104.394749 2394.804607 4751.211768 9934.964873 3570.40351 6161.071208 2429.420692 8285.861799 23107.25666 24267.84435 9193.778746 7169.292403 6092.035568 9944.814303 3848.146099 9344.92461 6545.517941 3958.694692 12829.1322 1383.546139
Indoxyl sulfate 523.7136518 4342.252632 1220.736799 1047.902705 1987.199611 889.0003982 1087.470889 3307.474946 1228.548535 13066.53849 1308.719903 3717.535429 4409.321227 342.4643138 650.3676674 1989.942758 1336.073901 223.2860681 333.5121375 2920.199071 661.4010109 2471.588361 2936.758739 554.3444784 700.1798329 1538.826815 920.8928936 3800.562647 1097.585444 1142.309606 2258.707622 3537.209045 2985.656983
L-(+)-ERGOTHIONEINE 2589.19495 4305.086228 2627.223337 1383.929103 2392.196165 1631.694075 3048.588341 4431.553012 3331.62429 5312.239569 2686.356798 2785.537714 7118.630243 411.7387674 1749.215133 1230.232696 741.4996931 2963.369249 617.5938563 1765.187471 2045.047424 5711.192438 6297.627072 4657.989349 1292.891559 1462.823463 1136.674659 2168.472708 3804.68916 3006.588848 2707.04307 2169.557751 2045.759756
L-(-)-methionine 6140.38209 6374.729467 6357.481686 5566.830264 13273.70646 8433.442918 6381.930496 12730.20355 8465.006157 29713.66625 12903.89418 18417.24734 6064.644828 1768.980651 2578.900159 3091.706437 4211.707025 4434.250568 1690.264664 5626.141346 5950.199166 15542.66465 26242.97733 12821.97483 3874.660755 9199.099585 7103.614 6352.097792 6638.219211 4206.362877 6384.999155 5315.49755 4058.648646
L-Carnosine 6974.797879 7882.205254 6987.641562 8602.851857 12270.33192 7846.401176 9305.912097 11223.78598 6775.896069 36003.23144 15163.94463 17025.03124 19524.26098 2883.591078 8388.269705 7089.611319 8796.869066 11106.1906 4714.035128 9289.784291 7319.528369 11901.59512 21878.00471 13957.93898 5760.70191 7754.680263 5148.791402 11313.25775 17604.00142 7352.794802 14534.73311 8848.872405 7719.240768
L-Glutamic acid 198563.6055 316446.1355 206814.6888 364794.5694 525483.127 385465.6921 233118.7433 336903.7676 244248.5937 1346913.769 353724.6902 529632.9281 1357281.389 335206.2214 299027.5504 474800.3394 795595.8998 566952.9739 272089.9227 721512.8015 252942.341 477656.9412 682874.4347 594750.5451 156802.8002 237952.2261 176356.887 850971.67 777170.2205 741808.5935 795418.5679 584690.1876 521456.6227
L-Theanine 1100.285325 1816.662006 1140.692488 2270.143289 4132.951214 2310.005441 1232.25254 2035.752579 1260.240235 8163.064411 2972.188198 3643.723885 3342.880276 1032.090258 880.5768913 842.92466 2569.565204 1653.354924 783.7826302 2102.792352 1163.839763 2673.663115 4112.85229 2415.554816 870.1718379 2084.044264 1150.294672 2529.37948 2173.502734 1540.617503 2093.529965 1946.611866 1166.448144
laurilsulfate 39561.89517 80774.50388 33736.8856 205645.0526 202733.7976 138743.6429 73233.7073 94730.79747 51232.97993 512175.1712 212155.144 193607.1177 271774.6737 1222937.866 160376.7127 80029.61808 211791.5835 124985.4373 71142.25415 101040.0231 144508.3769 318139.6579 234352.0613 86197.78194 85400.97423 71407.74595 48644.11074 358996.7295 218376.6881 262867.8319 149315.4597 182224.448 84802.98804
Linoleyl carnitine 81.27848477 125.2364873 100.8171641 832.4439816 945.3977604 729.9482501 124.6918964 278.0342335 144.2334618 691.2032682 566.7484815 350.7694707 568.4100449 29024.89289 612.4973706 151.2980179 558.3882569 249.5670666 131.2100657 184.3673505 263.3655952 841.329598 334.5003912 175.1235144 375.0799157 118.5502303 136.4900832 2090.44608 393.339239 1654.748216 223.4287712 486.4654257 2435.781017
LU3453000 1145.856691 1937.83451 969.0894876 654.707519 1128.374438 449.5124548 1603.355013 2363.500576 1139.562367 1561.992258 1029.774531 1599.1167 5030.547875 107.4921808 1058.255935 735.5275929 198.310819 1047.507674 455.7173387 1319.648584 1190.309039 458.0274438 3362.299516 1995.760083 725.293478 1306.452792 417.1237557 1362.592417 1509.385123 1058.347444 1990.417156 955.2359936 1146.265004
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 3485.263505 18650.94861 6810.327594 49757.00338 65697.473 46980.38642 11342.08951 31188.56103 11855.66064 145030.5846 27307.08661 29419.69891 68000.48731 51280.58756 46593.54413 5264.231415 53530.55369 43643.68724 9439.500027 22828.41183 59490.91123 72801.17161 54141.82557 8208.429849 44782.9661 40570.11723 32470.06418 22162.56038 19436.36131 51777.00146 10549.62966 39037.36008 8425.307355
Maltotriose 2371.497387 3311.540266 2085.839372 90158.43355 41066.47607 56602.63632 2762.496193 7229.364087 3136.097433 12132.07784 5483.153929 6390.778675 3774.839214 1014.124522 999.7213932 3648.31936 4479.823165 1563.392441 950.6739576 2400.162967 1934.671661 7316.398572 8049.24032 6578.708149 1956.454066 3645.867122 2242.376084 5920.718353 5639.561232 3083.446147 1841.271281 8990.714275 2547.22976
Myrmicacin 12815.02716 11443.19177 27286.18569 30488.53607 37986.82937 79985.42351 16495.88058 18207.40318 154909.7768 84875.26651 20054.92543 118955.8622 47650.15509 21826.68997 21225.47951 22068.52783 26833.93058 26095.93693 19861.40644 30493.00486 34246.50366 36276.00521 51601.3684 23814.88725 13061.44541 16975.94017 63616.744 24622.13305 32541.29683 21654.11248 33222.05303 31650.60483 15661.57837
Myxochelin A 1670.179143 2516.277675 1728.149301 2358.441767 3849.273044 1968.417271 1349.218476 2693.165464 1565.809091 7871.397319 1573.040089 1073.453935 7136.580212 2709.66504 1037.233829 2302.005699 3128.925005 1724.461756 1323.269903 3312.026952 1330.771877 4494.018408 6103.0376 3853.577705 785.8451396 1711.175081 855.1315796 2962.781346 3558.713018 3226.165385 3557.380758 3474.990001 2333.246152
N(2)-succinyl-L-glutamic acid 2173.582547 3352.955428 2549.100962 2431.27121 2879.635539 1907.442518 2620.820316 2516.843799 1868.911727 3717.896184 1992.58809 1122.631083 21263.90469 6683.492672 3955.040667 6062.871913 10365.99162 8695.795102 3078.509715 7231.462288 619.258564 6449.540565 5602.347853 4133.569349 788.4496235 525.5685014 489.9055325 15289.18215 15009.28459 12195.41781 8803.193274 9553.597484 7880.845954
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]glutamic acid 11432.89482 18854.9058 7706.031645 13933.76171 26783.78982 13707.82373 6899.491177 10605.0479 6131.598865 37171.64454 13745.16097 14996.87686 48502.39765 13339.2356 6673.723876 10409.83144 33588.49936 20976.97049 5885.696989 16367.74636 5898.518833 22447.23183 27610.82128 20226.01644 4718.400079 8808.934538 5859.267414 40687.74503 25962.11667 18736.9782 30512.8532 17577.86697 17195.77905
N-Acetyl-L-glutamic acid 1295.939458 1264.567004 1094.032391 2372.073474 2895.804281 1757.367761 1187.721835 1150.979044 930.4410765 9412.542554 2571.639121 3197.095426 9872.261414 4610.668203 2445.208493 3855.571472 7285.516656 5665.593149 2158.844996 4934.626017 291.8548951 2516.174683 4368.950999 3183.856773 827.5456024 878.7491251 469.6512955 8271.455211 10102.57617 6337.140627 7723.814138 6070.053871 4439.989703
N-Acetylglucosaminitol 985.2349915 1374.665108 1063.391123 1235.10947 3435.043839 1282.500127 1013.602522 1874.520295 951.3740185 5030.844119 2017.420146 2566.34054 3358.50249 245.4368463 813.6550362 927.8415644 2281.332643 1691.47469 486.529834 2049.115181 1174.290435 2156.637904 3779.043655 2547.035728 722.3886543 1172.870209 839.1480177 1845.468539 2190.065789 2059.15209 2548.323029 1908.282335 1410.506306
N-Acetylneuraminic acid 8593.494922 13284.81708 7932.174413 11497.33495 15061.90177 13664.98104 6584.779489 13789.95184 6222.622874 72536.12004 16246.24609 24916.56294 50964.60902 16058.63833 9026.796515 13297.23296 23651.01561 19559.22249 5123.806712 25501.13349 9274.022616 18148.93108 30867.87794 21742.29699 5291.543497 10445.33359 7404.573047 40437.56171 22631.15033 25046.94472 28494.95148 24089.58001 13993.59138
N-Methylanthranilamide 2354.863449 3626.275591 2606.489556 8012.839466 9180.1996 7627.062738 2977.250619 5870.632376 3736.031605 21897.17952 8597.835893 9662.905055 12136.20338 1851.355681 6757.177659 6234.057298 6631.491437 4703.746692 6804.969528 5661.555447 8805.745363 8710.368612 9578.867051 7297.301681 4283.5478 4382.328173 3393.420048 4278.772661 6244.109588 5761.776873 7846.306848 7633.053464 3772.08988
N1-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide 1932.595443 5200.579988 661.1155552 827.0653127 10991.05079 9026.96678 690.3075486 6857.176838 4401.388665 24649.55656 8136.741441 12432.88999 17384.27289 4460.113538 5816.265578 1115.911232 8765.584644 4720.010102 4007.294515 8175.598817 5568.305119 7968.879549 13434.44239 7671.494795 3197.840922 4761.983454 687.8118862 7710.012757 8038.973079 7155.917153 8335.249164 7525.026196 4150.222058
Nobiletin 79.70410161 156.1739748 133.7486544 1078.957596 633.3715935 701.6107736 276.6715292 207.0708412 557.188546 1849.438271 1441.423284 3081.828875 1519.117165 19847.47253 670.7329418 192.8789208 1385.544239 496.245716 129.5504641 204.4373855 308.5667505 1237.188401 1747.449199 135.8449832 147.8002285 586.8720274 448.5088425 5460.465349 958.2631225 1048.901596 983.7472463 1561.424903 316.8511885
NS1800000 838.4347374 1359.901878 691.1290407 714.3693215 1417.999487 691.1583158 956.7121458 806.6325433 533.1947684 456.9751764 883.643078 212.7146882 7613.878353 2804.090643 1519.27313 2258.78887 4429.040004 2619.204994 892.9438718 2151.885298 153.2765913 1862.610679 1910.283652 1238.293227 194.5278906 152.3217847 89.80416103 4942.193328 5428.71017 3921.131896 3272.293978 3588.215274 2857.355657
Oleic acid 103.3600468 2428.515463 3925.23625 3408.932183 4721.117 4111.297672 447.6920946 1817.684051 3023.296919 4762.629196 1745.700968 5932.641812 6949.446519 1885.926325 4732.102012 187.7947087 3635.109812 4006.347819 189.0677869 923.8952729 2621.259562 3654.424363 1139.322512 203.5286771 1450.454241 1122.267852 3370.753818 2916.158852 576.6998963 6325.18378 250.6221725 1452.44141 459.7857133
Orellanine 5063.039671 6260.422286 4395.464072 9650.300387 12467.49079 7185.959112 4117.429625 6244.907922 2571.551701 24480.3187 5347.19547 5701.256997 10362.92787 1686.180242 2348.953214 3518.010103 5221.598472 4435.691523 3400.554621 6338.286833 7435.503678 13234.25846 20273.03437 10560.39259 3311.464696 4012.245218 1708.441668 3720.525305 5835.380331 3745.39507 6939.466979 4919.752501 3336.69539
P-DMEA 17094.66841 26626.36081 17693.51427 31812.77878 42347.58618 22173.78405 17025.7148 28282.95307 15153.0353 108239.0736 18260.58022 18350.39962 79746.84608 30818.74731 13766.17232 27638.775 44170.48872 29999.19098 15667.94217 38713.01058 21486.93753 47937.68915 75424.70248 42843.92114 10980.72893 21045.06399 9573.344451 40164.14143 43924.11904 32437.24745 40572.78081 35889.80111 23678.16055
Panthenol 100.3937871 50.942965 45.63043853 1429.89664 502.2412416 647.5832983 203.0706389 358.6651665 142.5712344 2085.88623 651.6400078 814.2530272 2728.582962 2788.897019 420.3743548 732.819368 583.1073947 1727.932107 299.235227 341.3027114 342.5730626 6149.471517 1005.508235 219.8698136 264.026169 139.2762108 159.0495495 4781.015943 3414.646387 1341.722614 1481.484435 1139.814575 247.7098444
pentoxyl 582.2249179 524.2863054 575.7709255 3194.641808 2266.190524 1981.611685 413.9480763 928.5166416 568.0114304 3204.672353 721.6428649 1369.205983 1221.949507 164.0882236 240.1465109 239.2915963 695.5064562 577.3540029 161.9675684 574.2013831 420.9637989 1163.110868 1481.926613 773.561108 420.8822188 699.1617366 331.5659669 1250.778775 713.1914897 531.7778216 674.4807653 840.2749485 410.0311324
Phenylboronic acid 1975.881667 2924.334791 1657.914968 5335.354756 8829.02892 5637.642243 3006.181678 4399.390642 2199.675983 16572.37519 5352.560259 7733.709165 10194.8146 1942.892717 5625.954143 5041.951603 5571.586868 4266.151626 5724.331033 6551.267667 8071.148642 8099.680568 7393.577498 6596.587391 3809.676559 3517.583365 2387.167693 3091.02394 5423.900852 4937.416481 7564.843592 6795.163577 3380.02464
Phenylmethylsulfonyl fluoride 855.5188332 2780.463896 1479.909674 1650.06904 2196.095268 1477.180526 873.0487351 1331.617887 706.3471 1572.60874 1012.815802 1718.958815 2054.521901 1248.643368 313.4413831 494.636209 1420.270852 1468.039815 201.5828314 1587.652225 764.7007564 3206.21037 1490.929793 1850.073128 453.6424567 465.5590989 462.7682039 1467.798327 1028.33759 1280.258629 1405.46188 1178.350211 924.4195483
Phosphocreatine 6401.08433 7597.507775 3917.365697 1534.782467 16336.22569 2124.791448 1999.442878 14247.42128 2338.260455 26649.03615 8759.49894 5112.886778 20396.55524 17087.15008 3240.977163 10443.93235 18972.4436 4700.729982 3058.669552 9858.140009 1026.212034 18700.34747 15403.12257 30640.28477 1371.176374 9222.427126 2971.870321 22736.03505 17793.22244 18370.5175 21263.56017 19016.57249 9298.148425
phosphonoacetaldehyde 522.6555522 325.5755119 477.0225512 971.2459955 704.2455958 546.7961356 537.277842 1025.397801 469.9253942 1480.13542 780.6139117 1290.089941 2861.031478 1615.878789 725.9176132 484.3379554 2242.844427 1375.534488 477.3575135 1592.642394 880.5612763 1612.187185 1863.456998 1465.078482 351.8800884 476.6802482 266.790408 1745.82195 1001.703196 409.1483046 750.0989214 1547.496452 281.1044214
Pirimiphos-methyl 40562.36431 61639.41302 35428.46134 55179.23191 75118.35462 41892.79827 34169.44045 29171.7483 22226.29683 2978.412636 1551.381525 32344.46809 386657.3931 114397.3944 67682.87917 93657.88887 221749.0604 153389.9485 49180.74846 132074.7108 1211.173039 76027.98462 81094.58309 61930.20783 624.4143726 9866.845997 8016.172519 308772.1887 244915.4005 171342.5323 195738.7041 146606.9143 124498.2264
Pyridoxal 866.7983906 2206.33363 1282.109688 1890.294585 5487.778118 4108.397925 1442.129298 2952.719415 2483.983807 11590.64343 6052.73771 8424.293217 6177.682274 1186.265768 1219.277247 984.7316974 3730.85905 2567.614667 301.4640549 970.0841239 1403.88944 2224.780771 2907.192083 1731.632602 1127.989726 3050.550449 2923.526456 5008.605841 891.6392279 2406.114034 2795.225009 1581.678097 745.9950398
PYRIDOXAMINE 30967.88765 39073.04755 28080.96614 78588.00617 111343.74 78569.71802 42678.84413 56381.66769 40013.21367 247268.6284 88489.08158 113034.5582 142952.9921 23534.05909 68246.63581 69399.92893 75851.51438 60970.27861 75966.8204 80164.21666 108107.7238 102370.6284 114052.7962 79176.66723 54863.7858 44629.69717 37551.31941 51251.66623 78913.07852 64548.07943 91429.00257 88010.63268 38664.55425
Pyrophosphoric Acid 20497.6947 35312.54748 21646.51268 16542.73141 56744.30884 28028.93957 20638.75843 39124.7485 24228.07574 109107.1447 44182.88324 60662.70629 81210.49547 31223.75521 11759.68674 28114.91426 58598.72897 34903.89643 9332.505845 38653.37516 6246.839004 38210.79112 58545.06258 40128.02095 5622.132441 24814.67097 15122.40605 78012.99484 53152.18831 41725.16851 48413.64158 31372.79213 37609.21845
Retinyl acetate 313.6883855 5771.604594 1289.398139 6278.47202 11936.62551 8903.864835 2820.402557 7169.795652 2609.198684 6699.447051 7867.197416 6206.530319 4572.426203 643.9989525 1602.741727 253.0488369 1358.736779 2816.957145 87.06378543 1152.474658 8549.527907 10357.60054 9378.663338 541.0436057 5100.599608 6873.657059 6505.228604 3095.74127 1123.20558 2938.801436 998.2009042 1213.644992 527.1149438
RG1300000 2778.786354 4765.716323 26201.74353 10371.83739 12774.74586 51978.33867 4968.343007 6785.297746 98816.1266 19096.76405 6935.915833 165961.3493 20342.4472 6999.589137 3464.106724 6033.002133 4518.497336 7856.80357 5905.398747 7847.771157 8754.368371 13970.77507 16435.3725 6741.798882 5022.469526 6368.948335 42457.23647 11012.91891 13718.60789 7445.695197 7416.123655 4392.217991 3375.47196
ribulose 5-phosphate 77146.48855 155917.7207 90270.55543 123878.1998 222932.565 76911.87222 107704.4904 244417.9434 90646.75803 396623.3493 139074.4196 70988.80691 371814.1744 73845.09397 85290.91825 142290.8471 162373.2789 112447.0581 90518.18207 151528.2931 70407.04475 296273.1271 470040.2931 365493.8941 50254.31599 143202.7808 51921.50504 201354.8218 261602.9731 132829.3793 133920.7507 139311.3705 101144.383
shrimp shell 3530.570765 6221.226666 4576.040868 5936.921364 11637.79344 10118.07603 4116.903967 8099.112901 6856.830933 26002.53083 10046.63361 19777.68891 5095.298618 3345.672529 1433.140016 1791.086884 3150.751103 2427.653093 633.7890272 3456.776166 3472.806081 9717.282208 15137.97787 6810.680012 2711.98238 6765.834456 6986.714943 4984.944287 2580.15291 2530.226153 3492.765371 2635.062888 2570.667988
Stearic acid 342.1372537 531.2537806 1452.974499 1660.69597 1543.876399 3443.584154 693.2556487 1143.465774 5035.608594 3382.62963 1177.833065 8635.098935 785.8491685 1216.871506 402.4943824 800.9508472 2383.1494 727.8322814 300.3552522 677.5730155 436.6015708 2335.239316 1845.707111 449.2465988 866.1749094 1125.971057 2820.45004 1191.383883 719.0046617 928.4310791 617.6491155 826.6764458 481.0380125
Stizolobic acid 130.8168332 1302.979491 686.320194 1288.974779 1724.537453 725.0339745 688.9528845 610.6915049 506.5142659 2382.764499 741.5055483 617.3990754 10643.62533 3072.092864 1756.076245 2605.456356 5946.223746 3910.755028 1264.681307 4006.683654 170.1093532 1924.28656 1983.885346 1502.194699 225.859483 213.646218 157.0830216 7826.407685 7119.882526 4607.916335 5426.945948 4414.945515 3035.727663
Succinyladenosine 3235.981391 3226.610054 3251.089556 8963.326504 18386.72074 16021.5058 4081.992272 7485.284504 4703.981204 18659.50608 15900.08983 21365.39723 8163.266643 2903.530812 3934.266579 5631.860541 9689.445489 4978.213627 1738.069642 4306.035402 2206.824922 5451.562294 16018.25194 4693.318202 3038.043693 5341.093834 5051.424306 18749.82552 6814.405947 7474.477116 6835.812245 9335.99887 4845.13828
Tauropine 1517.279903 18827.3272 6681.884122 1873.337557 5177.035659 1577.738208 13139.31442 857.3004791 6045.0938 23592.94632 12690.63351 11276.51484 15890.75702 729.6057234 469.8527492 3051.546428 11158.63362 9367.36617 1931.330475 761.3458655 5494.299758 849.9605125 2059.880265 13909.29915 2357.735377 977.8892811 614.1505911 10343.08978 1226.662826 1645.814158 12646.3449 5225.323511 1224.319466
THREONIC ACID, L- 35975.04118 89078.48546 31117.24284 55948.54103 108571.6319 54926.37746 41289.86006 64302.35561 31719.64192 356305.9473 84871.01538 97284.05624 171026.2623 49483.15864 29292.78582 41600.19942 103897.4398 72752.97373 38709.26025 72333.63581 41879.09497 93533.79162 143441.9006 109133.4495 31938.21271 44462.52801 31290.5777 96086.44755 97929.0511 62577.47139 83807.53414 91718.36933 52922.06699
trimethadione 519.2237226 902.3814943 734.8565554 951.866961 1971.863844 1097.222317 514.3246327 825.76324 607.7053831 3812.13238 1059.899998 1085.474966 2452.182119 555.0769594 293.7829492 449.1028042 1734.709744 525.6995662 193.447291 1259.579269 354.1666007 1155.416512 2099.234774 1033.133692 211.2315981 834.6245063 413.2112463 1473.196985 1167.518715 928.1384201 1337.176022 831.3023079 627.6175706
TxB2 1926.009982 3645.360239 2201.435464 1571.933587 3157.885452 1520.756696 1085.74415 2460.995179 1332.291549 10460.35725 3716.325061 4389.600703 5307.343449 994.091116 1045.082136 521.287925 1586.316881 2493.901912 733.8651469 2904.798333 2091.717742 3568.811101 6233.816742 3788.543533 1380.192295 1791.849906 1217.592785 3132.611545 3945.441047 3116.617737 3325.98063 3072.830842 2347.782744
Uric Acid 976.6142111 1388.250192 531.600959 893.4274141 1888.160237 713.6903714 1037.341114 1812.360476 1247.49958 5619.332579 2594.264897 2573.54405 2024.180572 422.8826774 497.453357 1048.343611 1034.115324 1064.387447 417.4143095 1178.434768 1443.589868 1989.163719 3354.529803 1787.922417 723.6462229 670.0328658 516.1469615 1736.439324 1584.042093 498.8583719 2700.539405 2056.579551 675.21101
Uridine monophosphate 7294.277863 3439.574767 3107.108967 32745.26138 3436.964841 8238.460775 4195.181995 7367.881724 1293.3334 38402.18882 4604.759841 2436.142887 8469.078868 2821.244126 6886.887146 4267.469278 2295.527705 1400.651921 10624.93311 14339.95643 3612.750875 3143.944658 12701.36841 5104.33963 5734.185607 6341.150513 1727.520107 3148.168386 16054.38104 3859.859908 6332.589382 17602.95183 8936.478675
Vitamin C 144737.0219 257829.9257 114848.981 2025.101672 65477.39783 2122.122477 129312.3644 255609.0621 133696.4574 56745.92248 82472.49225 5671.49742 317271.1369 809.8764937 1221.53829 55161.1983 1024.637815 86963.23335 27313.92193 190137.4033 63304.91906 34274.56058 415368.9494 277637.2998 36926.65032 133771.7495 52092.79963 128670.3991 148015.8095 114333.9416 189321.7255 51845.09769 123551.9311
Xanthine 215113.5101 292446.6444 170367.4326 218019.6577 368764.7808 213106.6661 269558.9758 370155.9677 244375.8669 1327304.728 346498.7064 443145.9417 866646.8265 215117.6418 146320.6143 206770.8771 541759.9324 321929.8617 87260.3121 322929.8405 254173.6611 472724.4453 709112.3025 449372.139 125083.0712 237684.8877 150853.2535 318329.1238 414551.2338 204643.4933 520801.7703 262836.7687 203727.2618
α,α-Trehalose 18373.58057 11352.39791 14992.44866 294285.3154 158241.6225 207223.2387 7995.651702 47793.06489 20137.96841 318293.0774 98760.01429 130710.3231 45709.71775 27875.3011 20007.76965 128559.1433 36114.71548 56598.00006 20556.44658 33139.60031 40328.86871 66925.63328 113606.6482 53707.51688 12326.00934 13321.82254 10577.64362 323803.4176 1582844.784 790766.4549 126579.3003 871834.6549 109061.4123
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name ChR_1WPC_NS_NEG_(1) ChR_1WPC_NS_NEG_(2) ChR_1WPC_NS_NEG_(3) ChR_1WPC_PS_NEG_(1) ChR_1WPC_PS_NEG_(2) ChR_1WPC_PS_NEG_(3) ChR_2WPC_NS_NEG_(1) ChR_2WPC_NS_NEG_(2) ChR_2WPC_NS_NEG_(3) ChR_2WPC_PS_NEG_(1) ChR_2WPC_PS_NEG_(2) ChR_2WPC_PS_NEG_(3) ChR_NC_NS_NEG_(1) ChR_NC_NS_NEG_(2) ChR_NC_NS_NEG_(3) ChR_NC_NS_NEG_(4) ChR_NC_NS_NEG_(5) ChR_NC_NS_NEG_(6) ChR_NC_NS_NEG_(7) ChR_NC_NS_NEG_(8) WT_1WPC_NS_NEG_(1) WT_1WPC_NS_NEG_(2) WT_1WPC_NS_NEG_(3) WT_1WPC_NS_NEG_(4) WT_2WPC_NS_NEG_(1) WT_2WPC_NS_NEG_(2) WT_2WPC_NS_NEG_(3) WT_NC_NS_NEG_(1) WT_NC_NS_NEG_(2) WT_NC_NS_NEG_(3) WT_NC_NS_NEG_(4) WT_NC_NS_NEG_(5) WT_NC_NS_NEG_(6)
(1R,5S,6R,7R,9S,11S,12S,13S,14S)-3-Amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-2-ene-5,9,12,13,14-pentol 550.8620355 840.1275948 535.9148411 384.3645753 1106.211153 377.5904704 213.2857072 599.3252439 154.3725886 2160.64134 430.3929195 793.5544119 4200.528958 959.8127855 459.1018854 857.9845682 2125.620511 1951.688942 474.4916642 1633.941749 120.9453907 1297.365901 1019.562695 572.2068154 236.2885246 344.144227 146.347446 2970.175204 1902.043676 2060.348495 1351.619848 1122.156572 1602.472122
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3-hydroxy-2-propanyl (7Z,10Z,13Z,16Z)-7,10,13,16-docosatetraenoate 4433.501222 13739.40198 7317.661343 37182.14909 45999.60189 30238.3358 9303.964774 28746.89819 10711.29675 106761.1347 22413.62031 29785.15102 64049.83501 67404.34242 52390.94882 9962.532142 44444.25697 46633.06046 12111.50538 19729.4439 35714.79586 69048.21736 48180.46906 13098.87483 36466.90969 29245.99143 23311.68534 16949.97464 23336.56453 56801.25581 8141.161673 37949.59248 8116.175439
(3S,5R,10R,12S,14S,15R,16R)-3,5,10,14,15-Pentahydroxy-12,16-dimethyl-2-icosanone 53.54568941 81.8786441 62.29578279 8102.228704 5142.055698 4039.818262 569.0335301 1576.514327 411.1268929 7206.570831 684.1920456 1258.054966 286.5654791 2309.797648 3065.60532 101.8519077 3023.790724 136.0887651 108.3130351 678.8178124 149.5437508 187.9639895 245.4671127 152.6913768 2464.974511 2152.975976 1444.019439 1460.873864 180.1189219 112.4534277 147.9546529 178.5554619 176.2267069
(all-Z)-20-hydroxy-5,8,11,14-Eicosatetraenoic acid 470.1260497 607.5398235 665.942469 278.9796124 1122.826922 403.5788897 359.8416949 911.3027042 751.7818953 4489.965513 427.0881804 6378.501195 505.3893745 356.2219829 140.5453313 216.301724 236.1767971 617.9457593 176.7858789 581.7063599 430.0634199 1326.06219 2572.797609 2754.286794 340.1397025 662.0356576 466.9024993 924.0590744 3290.645099 938.2797155 1265.81749 1095.348394 632.1649982
.alpha.-Aminoadipic acid 4709.765664 7821.789191 4741.69888 9588.066153 15097.80197 9815.114569 5214.74024 10634.33312 5571.089168 32861.2084 10405.65585 12945.57066 22489.79336 4632.41561 3019.447564 6062.684567 13431.93364 7110.246867 3234.641942 9378.598462 5671.079821 13791.37571 17850.95757 9875.903468 2845.112729 5240.586486 3703.888479 7320.476123 8138.501211 10859.56651 14711.53475 8397.071656 6368.846737
1,2,3,9,10-Pentamethoxy-7H-dibenzo[de,g]quinolin-7-one 209.8831068 250.0798103 396.9925294 520.4071728 1593.881247 394.6358096 85.16368526 194.3449926 161.34967 2334.434879 2484.827393 1601.765368 437.5344845 838.9363774 123.8654632 369.8486519 2607.882296 149.5023251 407.5611297 862.2347668 290.6818823 946.8536539 533.2960641 1350.422592 233.057172 190.9051677 97.83219538 383.5063021 2816.721133 296.1693721 879.3308411 985.7919058 414.3364738
1,3-Nonanediol acetate 4878.601424 9507.289183 42508.81019 19406.34762 19722.79481 81332.64831 9129.293076 6560.99581 33359.60492 55484.22055 18327.65405 32061.71033 31084.1286 13696.73149 12972.23099 12156.5919 15522.61606 13348.52931 10454.85602 14331.9306 15587.56233 17808.4948 27980.18677 10014.56057 6611.316482 9899.773618 22835.59327 19008.96094 17464.75923 11544.54412 15830.61037 16987.51137 4659.836797
1,4,5,6-tetrahydro-6-oxonicotinic acid 2104.63886 4335.643081 1148.280781 5057.139559 11020.39516 5644.499325 1029.628735 2326.098371 795.3827616 25569.67251 7602.12537 7699.716576 12887.9486 3057.501838 2238.166154 3070.629237 11287.88724 6373.248606 2259.11542 5552.789211 4100.488385 6255.71155 5421.328554 3495.266713 2954.002863 2788.96451 1856.658478 9002.573544 7210.677567 6389.536938 10631.07055 8531.754103 4050.716054
1,4-D-xylobiose 5385.285204 2264.175552 3368.985424 32230.93528 27463.5841 23825.4101 1692.950802 12796.71019 4675.592505 119452.9982 36426.82306 43251.8425 13085.41523 9492.16246 6216.99732 49443.71057 11180.06163 22104.10325 6480.284361 10439.90078 13231.88585 23014.80157 41257.03994 18930.36473 2986.780934 2972.890041 2364.193897 124970.8411 651217.0217 327334.218 47610.00486 356080.0234 38889.69244
1-[(2R,5S,9R)-9-Bromo-6,10,10-trimethylspiro[4.5]dec-6-en-2-yl]ethanone 3288.612874 5525.526621 3050.562258 5829.784936 8815.507574 4850.015869 4539.760368 5980.788915 4086.996052 29678.70209 8621.132949 9090.724284 10799.96412 1945.82297 6875.87524 6704.646848 4414.350285 4380.353933 3647.346193 6763.006962 5362.921872 7362.753761 10820.13696 6292.783797 3934.779443 4933.196327 3098.95313 9099.459923 8915.359019 5728.110804 12106.32135 8439.072181 4675.555526
1-deoxy-D-altro-heptulose 7-phosphate 242402.6161 486900.1353 286784.4515 494533.4589 700043.6563 501545.257 182034.3089 324843.7144 203668.3424 2364002.24 698445.0032 979362.52 611144.2899 133524.3119 195204.7581 169791.9443 73751.4741 315794.8864 159064.0879 374488.6639 297960.7966 351358.4019 558544.998 293812.7567 293270.274 325867.1792 270801.5035 770733.3881 592354.9908 337741.301 741309.8962 312489.7259 260054.4821
1-O-Phosphonopentitol 981.0935424 1810.630796 1013.878139 4706.098085 8004.830545 4743.321775 1885.033895 1894.395573 1593.201478 15202.17335 2885.117538 4812.349004 6411.98031 5357.019404 1200.978954 2841.15209 8294.606548 2689.229724 338.239877 3827.64008 1282.681141 8262.688364 3590.377069 2686.681202 1134.969593 2020.25037 1096.818976 5762.756888 3144.582023 4381.395256 3456.673018 3606.020612 767.4503528
1-Oleoyl-2-hydroxy-sn-glycero-3-PE 1459.283544 11830.46688 6101.435812 28975.33515 48300.14252 32856.54074 7079.478817 20874.66947 9194.250065 114654.012 39699.14318 52740.59419 35201.25453 81923.87814 28198.34262 6224.353637 32216.57546 32494.56671 2860.295882 17129.19196 24486.4898 52683.74793 33431.78023 12308.1085 29918.20657 33026.71705 26459.50982 29036.05558 15330.98836 38685.9215 7278.297119 25411.9583 5975.535462
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE 441.9928774 3494.369164 1742.364905 8827.475301 11898.23557 8482.585838 1402.332181 6430.364049 2120.429128 36927.18609 15352.12277 12156.2153 8887.338262 14250.07493 4653.656237 681.2337433 7904.202718 10596.24104 906.4844357 5103.788433 7028.148638 22743.86019 12183.17054 3804.754692 7391.282021 8901.352728 6292.21115 10014.15227 5758.969829 12192.77738 1603.229445 9885.883554 1130.938378
1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 96231.16852 211330.225 66673.589 256857.0866 533214.6942 278945.5453 77209.66288 117113.4577 41816.80426 1059079.393 334925.0314 400308.0899 608728.0559 142067.4389 118188.5523 82366.02098 423459.6425 277841.1458 82133.62227 276761.9952 201030.3716 305337.8107 243069.0369 89621.64947 143595.9343 124666.8774 105229.3637 398863.8049 357348.2334 227889.1079 438243.213 247257.9207 183011.5639
1-Stearoyl-2-hydroxy-sn-glycero-3-PE 6399.336774 101984.7739 29652.08715 196186.9994 283601.0774 170137.5374 50368.35035 117405.5125 59605.83664 408505.8654 159870.0303 153042.9074 180781.4518 110921.1073 109580.9632 7973.333014 143073.4593 129443.786 3251.328914 51882.25432 152562.0836 305438.4793 127197.424 12377.54888 138004.4992 161517.5769 111466.1542 139117.6231 37007.51976 153833.9846 16071.59241 70509.96117 16303.75781
12-HSA 3982.185487 9107.898348 8253.228161 17509.87453 22387.87423 33483.51323 10619.43876 9821.314402 95202.23721 49587.96372 19966.61757 430201.4577 27187.40408 15680.05834 13616.51066 13326.0379 13586.30019 13423.77331 10119.60928 15028.41221 21465.59615 24392.44776 17159.47344 13768.54041 12843.25497 11708.61075 24103.11302 19067.13225 20581.16591 12560.11203 16696.16787 16316.59381 5782.024743
12-Hydroxylauric acid 12662.30272 11811.69365 36545.58511 39295.00042 36393.41245 81025.45276 15623.82872 26407.7068 103241.5117 95594.69837 35535.61275 246497.6917 60315.57284 21277.01764 30315.6663 23816.81786 26004.94971 29211.6532 21791.24704 32175.90022 29959.96114 41627.2972 53045.28583 26562.12455 16200.11902 19330.05356 68858.68139 34741.71706 26198.09359 22931.05957 38324.93519 37191.89356 18372.08309
1216595 732.4186073 572.7517572 474.9933727 176.9354121 880.3251448 210.3004278 909.2551535 1628.141337 1885.477614 1492.80588 668.1393682 756.108609 27572.73264 107.9275468 698.7651881 751.6312667 743.9742867 725.7174001 547.0352073 1129.916846 1120.777444 898.7556795 2612.689109 2024.851422 622.1520175 663.9025264 850.0977161 857.8785705 1917.940218 1282.912832 1489.649739 937.5927637 1061.923459
1886839 688.6509416 1008.672303 553.8073055 553.5364468 825.7852948 313.439928 550.0584236 842.3559167 403.0189975 3173.311899 1185.498368 1081.106983 1408.887485 184.1650263 229.2716493 166.959407 201.0226243 715.3992792 147.45607 667.5640878 578.375685 1453.332066 1696.709797 1162.415225 177.3851314 765.1849896 327.4847566 698.144728 848.4296288 701.7973098 934.9903451 657.0384992 774.1356254
1D-myo-Inositol 1,2-cyclic phosphate 48193.76717 92032.77463 25913.65857 55613.25583 107923.9317 52356.19299 26244.62589 53447.53679 23076.86632 652958.1601 292116.6847 161395.3492 63733.33112 26150.53537 50570.41161 37053.8626 40553.92184 42672.1185 48470.48614 43992.19502 94940.57783 104535.8673 130304.1582 38068.18247 103418.1981 37676.39216 55788.99102 98317.26995 132753.6963 37863.36302 90951.98603 73706.59689 33658.56858
2-(2-Chlorophenyl)-6-hydroxy-2-(methylamino)cyclohexanone 36.77810476 50.91160844 51.83583734 332.4291819 1366.722468 385.9639757 55.77117477 71.41349955 73.63195595 11651.51015 603.157741 1721.067984 191.4300335 765.8955401 82.35098676 70.80893748 1819.974397 139.0066487 60.90256099 87.46223229 97.34081392 2339.846396 147.3590017 73.58560751 59.42111159 53.23338496 61.21488932 347.1559999 117.8682694 205.7158649 99.30089646 93.39152447 61.49497812
2-(Carboxyacetamido)benzoic acid 529.1099201 1305.932651 621.1142489 3831.873095 6352.602446 3896.626266 1662.624287 1459.276089 894.9745231 11651.62535 2501.020792 3890.283688 2139.571131 946.9309466 375.040322 586.3075713 4301.213219 731.1076561 380.1851086 577.0348821 906.1382418 5702.738034 2383.795816 1803.806001 1130.145805 1331.75633 825.6998125 1871.918109 990.0537863 1124.37727 1478.3176 1115.676989 568.2529069
2-(Diethoxymethyl)furan 28925.79954 38584.43775 40522.3044 71795.52437 83420.56263 95622.29197 36331.80006 322116.2791 57311.21082 734498.771 485628.559 136775.1166 128694.2517 55902.96554 50610.03795 62392.56395 67370.55771 57045.08283 39615.89842 58976.57639 64191.65472 88786.683 108098.4107 50450.05198 38123.33615 36645.97886 48799.09604 70673.50572 81479.29848 56672.71266 73110.41552 102606.5824 35155.65448
2-Hydroxy-4-oxo-1,2,4-butanetricarboxylic acid 5137.11498 8508.838853 4849.911962 125.0229755 3989.217171 146.7418869 5954.252938 9187.572401 5609.727144 3900.673096 4211.616459 275.5117719 19521.88436 73.51535257 2844.088341 3447.616594 88.74091722 3628.953296 2041.777961 7605.525619 6368.358619 1729.507659 18469.62039 8910.15492 2371.795244 5963.943453 2923.243766 7530.892217 8293.4566 5241.606115 10040.20853 1965.081099 4118.180636
2-phosphinomethylmalic acid 689.8036121 2025.130445 1384.93562 1015.81285 1878.986286 1505.617549 550.8880484 955.8983114 1155.482428 7088.285281 867.757882 3574.436674 4748.513567 2210.494736 695.4117534 1500.229722 2247.198002 1638.03886 676.7114765 2664.257317 472.0272378 1095.574361 1227.292619 2778.392651 490.6865743 1284.532549 632.4291033 3150.193355 3792.227191 3251.454822 2431.230538 2473.279906 1635.300187
3,4-Dihydroxytamoxifen 3325.562442 4656.192917 3727.313392 8693.896322 11704.46583 8895.130253 4468.013188 6911.005449 4960.966301 30863.00306 10068.77392 14011.42974 15305.54623 2703.243404 7289.737249 8083.649387 8210.015686 5828.921315 8509.021103 8529.292935 10430.58498 12126.16135 12109.91642 7936.200792 5362.64777 4735.659642 4339.551595 5808.093826 8957.118326 6823.881728 10278.14229 9058.186984 4552.79432
3,5-Dinitro-tyr-oh 1025.885415 1073.480887 639.5210058 1238.234723 1971.426916 1100.714456 896.040051 1514.113137 981.6978158 4794.684318 1776.918032 1895.846132 1407.506089 474.2855871 332.5342917 387.3573847 1233.770927 957.6959639 210.821122 918.128647 930.710208 2078.624489 3660.053206 2088.585744 846.4630811 1247.749285 876.3566868 1428.866135 1063.486154 486.8567912 1269.566407 484.753412 677.9050512
3-Hydroxynonanoic acid 17966.87802 24582.26135 44748.44538 45960.92213 60934.62822 109621.4651 21269.03159 33350.82215 199582.4464 138831.8598 48054.791 158994.0736 79354.30668 28426.3805 31026.47045 36574.35509 37987.34199 39169.75903 30361.57439 39862.10299 31151.25127 51348.33782 70547.41256 32409.47046 27097.36605 24779.24055 78311.55396 38893.37095 50504.52843 33822.63896 45931.13421 44912.54121 25183.47874
3-Methoxytyramine 4026.255015 2509.320666 3193.56584 7530.794015 8462.775807 5507.572383 1904.121835 10093.02824 2524.591693 20871.25555 6827.179124 8246.265814 17696.01464 2695.400824 7903.42893 2906.228907 4767.530865 5822.609123 4758.126479 11122.58083 7901.278967 8596.56392 16649.54588 7939.527366 4912.736164 5614.151527 4052.446281 6671.72482 10207.22263 11220.30765 9985.94865 9553.878014 3362.709198
3-O-beta-D-galactosyl-sn-glycerol 296.7085285 658.2062224 289.7224374 748.5739746 1299.086349 662.1985213 439.2738208 671.9403368 322.1916456 2557.404288 792.6184587 883.4026435 1078.785495 131.1950483 287.5580503 352.4047498 825.6289658 366.0770853 163.0252837 554.6793599 658.4923587 897.7592449 1260.394995 915.8907707 321.8988412 583.6878961 409.2908956 872.8761452 685.5030125 496.7390481 471.0136899 601.9297034 307.2170435
4-(Methylthio)benzoic acid 14594.19086 23470.8104 15528.68155 12751.01316 26586.09495 15574.84933 21818.61586 36731.55793 23905.5889 109307.2286 34339.85315 47231.775 21892.81579 4521.500458 9128.25752 10566.25532 8136.409432 13189.73934 6743.177083 27404.1042 21877.73103 27077.47944 51774.23743 23441.88473 10302.3863 17163.15539 12704.03178 21224.1095 17848.58336 13081.44331 29711.36414 16327.04677 14293.67671
4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-methoxyphenyl hydrogen sulfate 940.6819158 1272.966103 956.9997295 2599.604601 2285.292019 2159.667217 1011.2524 1796.409425 1325.918539 5414.486636 1331.627983 3110.606577 4146.980357 2445.131174 1547.162658 2023.123529 1559.85064 1421.378331 1832.864006 1613.202442 1024.226019 2487.83452 3404.101792 1291.782582 770.8184605 1298.553436 1407.446418 1509.789341 2547.128362 1844.818873 2183.689309 1777.512437 1266.803116
4-amino-2-methyl-5-phosphooxymethylpyrimidine 3617.556114 5596.923073 4651.177286 7506.640137 12390.44319 9458.881778 4999.615701 8309.524861 5852.231964 23441.40022 9010.469116 13423.22779 9321.741514 5606.286806 2073.82132 4130.165466 5193.00922 3153.656625 2492.799584 4419.018343 3211.841792 8484.302348 13298.77954 6961.483961 2637.154761 6091.168766 254.4898093 6746.439756 6122.982888 4170.674541 4661.303634 4165.687746 3251.641942
4-Hydroxy-2-oxoglutaric acid 19588.63371 31267.34715 13737.271 22865.70978 45604.14502 22986.94522 21516.25184 33634.23237 18020.55456 81483.97852 21235.91956 23594.12952 64747.13916 16226.10829 10372.15391 11763.08778 32866.47932 15732.34428 6242.435495 27513.8234 18552.2823 38159.9136 68196.47815 30122.34114 8239.125428 6148.968183 9595.971591 28351.81486 26962.07085 22079.60429 9367.767194 8528.451786 17831.91379
4-Hydroxy-3-(sulfooxy)benzoic acid 1002.663597 1745.156906 1753.12092 2245.196863 4860.811985 1483.55305 1647.035927 3626.581787 1405.304924 11514.25824 3318.309237 3051.840104 5631.174994 1186.680147 1499.250827 1675.019137 4295.431836 2463.478767 897.542962 3866.05551 1250.86338 3606.95757 6172.316522 3657.071959 887.0234739 952.1245138 715.0460922 2038.710201 3692.375323 2729.021446 1843.574929 2448.887242 2306.229569
4-methyl-5-(2-phosphonooxyethyl)thiazole 2422.646291 3625.10472 1713.457015 11249.92755 6132.85926 3427.300052 2919.2995 2350.289234 5732.720508 35999.53106 4089.859566 5082.92485 10165.74654 1746.939348 7024.566143 6188.776745 7631.857478 6040.96104 4928.354667 6347.573992 7645.710444 6438.022158 5656.422179 4985.95141 3549.37466 5029.660351 2451.929148 7503.255202 7602.832967 5190.502428 8076.95974 7143.370586 4689.621473
4-Oxoproline 119037.068 132859.1534 118906.8228 163381.3369 228338.9944 160394.2668 125103.6556 263869.7747 170486.4872 900484.0168 221055.5033 374253.5879 348953.2934 205903.4162 71705.61776 130311.0712 191617.9533 188794.0146 61158.96305 262456.0285 89455.84669 282317.4226 340009.2368 228660.7266 81529.8318 213567.4125 139345.8423 440020.7847 251463.9683 225690.3544 304926.7332 232544.3781 188077.0242
5-hydroxyisouric acid 492.5590446 953.0030303 341.5160838 562.1468615 2399.984758 513.2897723 885.213876 1345.222403 553.4154858 7222.835358 1288.869845 1119.403315 863.2633358 193.183914 433.509321 459.9959179 320.747095 385.9222477 225.4849956 886.1408222 1378.501149 1407.401875 1686.534104 583.7406375 445.5039327 765.1377502 329.5814568 1980.969843 796.5499201 409.4856258 1145.202436 522.2283317 383.3905243
8-hydroxy-deoxyguanosine 55989.70627 101803.6214 62465.16498 76935.39664 202032.7334 119683.5206 52916.16621 107387.0985 30279.38326 297433.3852 162377.5338 76221.50786 241671.7174 80361.68957 62543.52683 71704.32582 127117.163 131982.8214 32123.75225 93050.8392 55143.52881 129583.3096 199460.8382 99219.88247 50150.76196 86020.32225 57310.0342 233109.7843 165139.3334 149602.5466 142603.8553 130395.8191 85257.42923
?,?-methylene guanosine 5'-triphosphate 369.1909807 575.2479196 475.1641297 541.2163511 598.1235608 550.2447996 348.7843697 269.8228359 411.1564633 636.4707595 131.4385982 347.3398379 3685.4471 1063.178378 662.3462558 828.3752189 2337.548952 1428.974944 393.282878 1365.783567 174.4359876 588.5389674 694.9021185 641.0214634 70.14006874 61.54556943 318.7308465 2698.550252 2280.201846 1949.780907 1668.112356 1296.368904 1015.883317
[Similar to: 2,4-difluorophenyl (methylsulfonyl)methanesulfonate; ΔMass: -130.0434 Da] 88519.72409 147929.314 105824.9117 166948.7367 274248.5029 208969.5319 102246.4146 170151.1093 126995.7046 536951.9053 205042.9192 294705.0735 376736.1266 374153.0299 104318.1106 161768.4643 211872.5288 159336.1689 94129.24377 171062.8821 78442.2969 226070.9421 304962.0657 169641.6103 58023.81169 121723.6641 103507.0624 258298.0722 230461.5944 178120.1137 206258.8066 179183.7946 136921.3029
[Similar to: jwh-018-d11; ΔMass: -108.2009 Da] 8805.358222 23273.60766 15336.07431 18191.61089 48476.29148 32463.89007 22767.08865 43526.54133 27491.13768 96625.52183 46129.03979 67607.53823 31788.01903 10977.57066 9562.307916 10573.21744 22170.9491 13624.28916 6550.443567 20412.18729 15736.72692 35203.58397 60033.33172 36000.51003 15626.13562 29088.8799 25053.6168 22656.6151 22249.12957 11608.44509 24428.99297 15433.46953 10898.07502
[Similar to: jwh-018-d11; ΔMass: -108.2117 Da] 1870.744268 4641.409552 1856.058338 1993.849941 5294.103885 2305.927535 1870.387746 2993.957061 904.7723751 10990.49787 2208.849733 2874.818374 8083.854126 1850.686084 1386.135265 1853.046093 3916.227809 4862.230511 1774.908974 5146.837694 2221.846165 4699.276536 7096.719698 7264.000442 1014.548456 1980.078093 1093.928879 4682.781683 4916.797402 3124.317687 4623.535548 3362.961731 2385.502918
[Similar to: jwh-018-d11; ΔMass: -108.2119 Da] 626.0064942 1156.606171 1058.99128 874.6676195 1229.896044 753.187203 1037.501244 1773.824621 564.2000928 3932.836841 773.0202971 553.5408632 5762.947799 1745.829248 524.497595 1881.949299 2210.703047 1244.028217 1588.274578 4564.661799 635.1129191 1286.467154 2074.676761 1672.326976 648.3608848 1114.4898 439.8792302 4069.460349 3618.774095 3117.822637 2781.075985 2557.020425 1251.83309
[Similar to: jwh-018-d11; ΔMass: -154.2177 Da] 1870.744268 4641.409552 1856.058338 1993.849941 5294.103885 2305.927535 1870.387746 2993.957061 904.7723751 10990.49787 2208.849733 2874.818374 8083.854126 1850.686084 1386.135265 1853.046093 3916.227809 4862.230511 1774.908974 5146.837694 2221.846165 4699.276536 7096.719698 7264.000442 1014.548456 1980.078093 1093.928879 4682.781683 4916.797402 3124.317687 4623.535548 3362.961731 2385.502918
[Similar to: jwh-018-d11; ΔMass: -154.2328 Da] 2293.322187 3403.92783 2324.973455 826.6348243 3470.378018 658.1749706 2622.571987 4375.60524 2489.234595 19175.95709 1775.100154 3906.734428 8407.007473 324.8960228 1407.121826 1558.640121 672.4749078 2377.205564 1552.173615 3454.338959 2585.43611 1737.719169 8724.82621 5304.467155 1411.238595 3139.330159 1568.743948 3279.36476 4299.600122 3014.669229 5866.501699 1887.531254 1895.335078
[Similar to: jwh-018-d11; ΔMass: -176.3532 Da] 6499.283834 9103.765658 4722.247645 18174.27502 19052.53472 12871.62472 8146.688755 12195.46126 7264.411802 44894.77042 13766.04345 14348.90219 27564.28935 28003.42899 11815.00616 12411.16389 12943.17795 12036.65983 11295.53785 13303.76779 11881.08905 18034.99179 24923.51297 13612.84291 6205.75386 9100.296243 6377.484919 14548.54068 14828.13995 11572.57475 16337.90938 15457.49098 7622.529007
[Similar to: jwh-018-d11; ΔMass: -214.3084 Da] 16664.38422 25078.31985 17875.8696 45860.89194 51687.91253 42512.31686 22294.34767 38433.33952 23924.72577 86833.68645 39266.06732 44368.80835 68181.20985 62409.69391 27519.7074 31249.43334 30966.40021 28722.89911 28789.93295 35950.02233 33162.74859 47164.06644 57456.95617 32765.27267 18962.68376 24174.24963 21413.83598 28826.72788 48828.19249 32752.19755 40578.1063 41848.84518 16730.46605
[Similar to: jwh-018-d11; ΔMass: -222.2211 Da] 15003.49616 25875.72662 14673.14292 9122.591589 33598.56988 14022.45896 14804.75163 25783.48556 18509.91843 27655.80229 27212.53946 25570.17773 36906.53067 6212.364967 8027.553902 8111.397364 13341.58812 10806.33785 5025.198086 22254.34489 16835.21936 20685.81171 37815.3385 20949.0245 10749.15116 17394.77342 12864.61829 15317.78027 19872.65787 14492.82256 786.6756272 9966.39575 11223.37222
[Similar to: jwh-018-d11; ΔMass: -222.2214 Da] 9457.711071 6580.815452 14087.06039 51876.59659 61231.70083 58177.35881 9342.853866 17510.16281 15839.49206 165493.0207 42611.07646 87177.00283 12286.82114 15645.14306 10965.28962 14217.41768 51593.80969 22299.2701 10718.78306 18562.46808 14788.11138 84086.54622 31974.80204 29223.43825 15693.52113 16381.9976 16982.58141 18781.99201 16482.3156 20611.67662 23303.31961 31225.05479 13279.22863
[Similar to: jwh-018-d11; ΔMass: -236.2369 Da] 7224.549645 12979.34369 5169.604073 12846.28398 16556.9963 10900.07926 11337.63164 19316.66145 12865.20583 42829.94667 16872.00549 18387.20632 43957.90675 9958.926007 11007.74476 12955.68974 21478.99023 11910.78151 9148.393892 15797.81444 9934.589393 18716.57912 36987.11353 16780.41435 6576.227119 9007.832561 7551.423166 26355.97606 28299.59363 18647.49382 29482.09861 19550.39268 10652.27463
[Similar to: methadone-d9; ΔMass: -68.3487 Da] 29159.57853 47264.27188 30556.67722 36362.14781 106810.6436 65971.42813 41922.2203 56032.44511 39402.1411 248597.6926 81142.11231 101749.251 145222.9708 58622.25185 47623.85376 53020.38889 72356.34359 56282.66816 37922.31176 64659.12484 56631.67123 89007.47973 115088.995 57676.94121 34865.59681 45340.38909 21845.88542 85410.16008 91793.54838 61440.66537 82038.08632 67069.12036 42990.51256
[Similar to: methadone-d9; ΔMass: 67.7516 Da] 916.548243 1629.029884 1013.066598 1406.747905 2851.550774 1473.885075 818.4108605 1612.813768 514.4581359 5420.790496 2136.099397 1286.934941 4134.395949 1299.646496 926.0835712 1119.509676 2409.75899 1840.814264 696.9857944 1687.593751 858.2749283 2073.593412 2539.627553 1424.704822 757.6062594 1072.97172 589.1913247 3036.993266 2502.730985 2228.328287 2365.986236 1824.127287 1380.241308
[Similar to: Nitrilotriacetic acid; ΔMass: -44.0374 Da] 2966.901269 4284.269038 2960.417343 5002.817637 7626.252438 4739.859533 3076.709838 5296.677256 2857.50472 17407.19278 2063.139384 6399.140284 12394.17064 4219.152638 3141.324207 4169.932715 6623.227707 5140.415588 2612.340899 7255.078301 2553.764615 6861.381877 9977.669174 5733.915202 1955.625907 3850.267418 2570.899496 8518.722084 8973.29398 6024.042419 7296.169173 7388.638164 4735.969499
[Similar to: NP-006998; ΔMass: -165.2425 Da] 5103.950958 7111.248234 4680.781601 5450.072708 12802.28768 7625.234694 5027.114304 8232.428263 5214.263295 28599.50067 9770.014983 13010.24193 17385.57455 5526.016257 4711.612451 5539.704986 10923.69621 7678.982711 2802.026974 8469.933821 3910.756634 10166.63793 14443.9418 8263.03809 2179.278533 5503.643629 3680.846203 12427.14042 10034.65135 7802.359878 9721.428833 6985.772811 6500.903808
[Similar to: NP-006998; ΔMass: -183.2061 Da] 2844.136175 3899.904547 3057.463219 2373.200545 4357.476429 5633.294868 3155.247728 4930.005335 3515.648808 8049.168745 6776.790612 6756.404598 7873.07964 404.418667 1731.236863 1862.301425 3759.021736 1984.020506 1316.186265 3437.900078 2979.677961 4189.195495 9421.567369 5193.123447 1619.356696 3174.433754 2310.708316 3881.725586 3768.831357 3667.488172 4967.660146 1533.628017 2686.95175
[Similar to: NP-006998; ΔMass: -183.2359 Da] 2039.651476 2788.179831 1568.165014 97.00358903 953.321285 119.9517618 1672.515747 3405.54605 1714.361906 461.5082501 1033.711866 146.4140798 4588.003853 63.3246207 642.272924 626.4751117 83.69677074 1090.326333 399.7836321 2527.395925 889.5550423 238.5639622 5264.434359 3611.661463 533.299941 1596.175635 814.8902368 1763.65792 1884.648742 1505.868464 2755.072323 618.8586078 1401.137625
[Similar to: NP-006998; ΔMass: -183.2762 Da] 1942.102534 2835.472284 1589.094112 3189.877437 5599.988405 3690.523029 2118.068153 358.2566842 1951.332903 10283.22155 4469.131292 4789.802275 9033.761582 2093.397216 2503.167678 2406.615423 5062.500952 3300.318192 1850.663817 3046.249757 3183.823673 4088.076977 7032.999288 4114.230095 1921.620255 2614.702763 1520.48964 3419.643467 4450.688647 3305.775429 4634.714646 4136.705496 2230.932755
[Similar to: NP-006998; ΔMass: -229.2116 Da] 633.8149708 1173.918544 690.5289887 198.5955879 395.6029942 243.6407481 846.0973012 1337.881144 831.2358394 587.7084956 498.951489 304.5898736 2706.833072 108.079702 232.8823124 449.7186982 158.0497091 392.0514987 125.3970058 905.8609063 796.7472125 930.4041309 2872.665169 2207.627213 293.5934729 1091.107533 532.3166188 772.4861879 642.2204772 930.3607349 1045.454436 319.7748173 647.0853466
[Similar to: NP-006998; ΔMass: -229.2413 Da] 1150.002195 1765.180688 931.3389129 124.2956443 458.7942852 140.8876697 1048.411319 1722.399923 1084.494929 1117.484384 1038.251941 171.9396838 2406.612214 69.89946126 321.3962096 509.413627 154.7665981 778.1575593 344.1952651 1549.730358 694.7467756 768.3752029 3354.434159 2179.865264 401.0975179 1036.258928 479.6558024 1078.784246 1395.587335 748.4356028 1589.929421 557.2191531 853.5140857
[Similar to: NP-006998; ΔMass: -297.2468 Da] 437.1193348 593.5910667 447.9467455 295.2885202 470.2593588 173.5951994 164.4080371 1177.452827 361.2743129 2539.897837 839.5582129 869.6469032 428.6841003 139.7182704 141.3399732 368.8951713 132.3250898 188.5010013 122.3149821 489.1226417 132.5227416 883.8424235 804.1982259 731.279233 82.62712431 544.6581389 316.9775577 411.8708238 266.4220995 383.8433864 386.1348986 170.090846 620.6207917
[Similar to: S-Lactoylglutathione; ΔMass: -186.1504 Da] 4143.735479 6197.324488 3515.734293 6575.57667 12973.0556 6244.538501 4516.867204 7625.811727 3466.728284 20389.36741 6115.567322 9163.471905 17345.3418 3625.537757 5787.633228 4757.380861 9532.21995 6244.6315 3736.359112 9018.385341 5910.37352 11391.69311 13707.65194 8812.321539 3183.165412 4945.94144 2800.57779 5540.158457 8284.969861 6002.585451 8991.265578 6678.691325 4765.389172
[Similar to: S-Lactoylglutathione; ΔMass: -72.0205 Da] 30184.07181 84475.67132 8818.465248 24150.58493 33896.97881 2430.190982 43367.93375 87244.32774 13604.56133 46681.37818 34076.06732 6139.483745 355035.9607 506.9899537 32205.24238 71096.71153 4770.099608 25291.18331 28586.22474 95811.85898 27495.61236 30264.79877 114523.2888 30263.85572 5622.699711 10768.98147 2169.714818 84573.51726 57250.40717 33883.94402 63752.45562 17352.05239 39735.70083
[Similar to: Uric acid; ΔMass: -0.0201 Da] 3413.757703 5132.837795 4316.883517 4756.715807 7832.62816 6679.672842 3284.638455 4760.075361 4062.743419 15569.25481 5677.2482 8648.992194 10622.48778 2733.223207 3926.304724 3386.695592 7024.72172 4632.826151 2575.365538 6125.696459 3294.621342 8358.637449 10527.8201 5886.47496 1990.477356 3157.128503 2692.882194 6289.673645 6627.413488 5045.948641 6734.61615 5325.807614 3905.068736
[Similar to: Uric acid; ΔMass: -0.0254 Da] 5758.296481 8768.66049 5871.009613 578.9373379 6369.305246 2076.953912 6700.27313 10329.76094 8053.855604 11389.32618 6514.109646 10838.75686 22218.28432 263.1262906 3536.129593 5178.35327 1544.173019 5926.757286 2315.536044 8787.87175 6269.658921 5124.945754 22506.69767 14585.68173 3420.75019 7962.022298 4874.135038 6796.965513 9088.841619 6357.60236 11081.44439 4844.791619 4441.819054
[Similar to: Uric acid; ΔMass: 17.9908 Da] 8849.933234 13785.80418 15079.69003 13245.64868 23699.36046 23664.66399 8786.481574 15998.63864 17424.35381 55914.86044 16853.93973 36957.30376 31919.8558 14736.70199 10656.14679 10926.55294 18477.73149 14545.14093 6105.94803 18795.07698 10896.42701 20935.77571 31284.6423 17616.84973 5351.677902 9663.050622 11482.56674 18487.73773 20816.22332 16143.10485 20592.9519 15975.0074 11634.28688
[Similar to: α,α-Trehalose; ΔMass: -0.0360 Da] 2756.505799 3916.743058 2465.88525 3236.499924 6167.618476 3185.844013 2536.275518 4102.772808 2515.507134 15556.23886 4321.669175 4949.454882 11473.23695 1594.952065 2339.762338 3730.790847 6936.665434 4704.085967 2031.605763 6290.431559 1708.270024 5891.121911 9666.434157 5455.592841 1557.247291 3179.216646 1938.800193 6623.935146 7467.748715 5699.650359 5311.397491 5650.085201 3741.970123
[Similar to: α,α-Trehalose; ΔMass: -0.0828 Da] 10903.82461 23287.42886 14859.60086 22820.26696 37026.26946 23189.33528 10670.84731 16049.13085 10726.83005 126521.8278 39126.53885 46527.44621 28186.2128 5178.903411 10494.86984 2477.127812 6161.92417 14412.39572 4091.180115 19551.90976 17062.3641 19106.62282 34583.97723 11203.96071 14198.78967 17200.89738 12914.04207 35674.25205 30777.66596 15949.86997 35867.20334 5941.605647 13798.77748
[Similar to: α,α-Trehalose; ΔMass: -0.0830 Da] 2551.235949 4361.500651 2797.699122 10841.3896 12138.2897 11485.06109 2649.689986 3454.03527 2976.388703 29744.08045 10133.22948 12635.31304 11015.42957 5166.79039 5937.693257 2553.304392 3688.839217 3772.025496 2718.432806 4088.509578 24978.90504 4167.392214 6387.195919 3128.081831 8835.757052 3297.853537 3138.86557 7344.627511 7272.503549 3463.315474 13699.1323 4112.359813 2170.819127
[Similar to: α,α-Trehalose; ΔMass: -171.0995 Da] 1383.225674 2308.204208 1566.872437 2713.548044 3707.967825 2365.181827 1577.298847 2643.255428 1577.586677 8359.276131 2622.46228 3219.571408 5283.479393 1999.714749 1476.668866 2235.559912 3172.217086 2340.863356 1318.168059 3013.864163 1413.894334 3254.534126 5184.127692 2815.297677 850.9581983 1886.009262 1078.854427 3459.150213 3928.949661 2766.167921 3183.810134 3458.588679 1922.112424
[Similar to: α,α-Trehalose; ΔMass: -38.1412 Da] 1791.590849 2872.516412 1672.707128 126.7438006 1146.252099 149.3074688 2485.602977 3541.117294 2353.109976 1644.525342 1994.40035 175.6075788 7510.011014 69.68497305 1468.936677 962.7439094 90.25228836 1561.846658 590.0985749 2826.155736 2938.115084 594.6980154 6128.721612 3068.783613 1079.061697 2229.052951 1188.454118 2721.587207 2555.780233 1964.410574 3835.91618 906.8100484 1400.341081
Aceglutamide 2376.299787 2035.523271 2009.857825 2352.135762 5649.172059 2764.595759 1563.816286 2275.814533 1141.845211 9236.96218 6578.010202 6799.519018 4468.213411 2247.773821 847.5789974 818.6821223 3395.143701 3587.83685 886.0418983 2703.254688 1580.085034 2835.683891 5730.143655 2625.491352 2097.705918 4791.115886 3016.317639 5874.93249 2445.910218 1924.792404 2878.595336 2317.851856 2718.395435
acetyltaurine 1765.75617 3240.629009 1844.024711 3166.820245 7130.185934 4139.709761 2024.24203 2713.237164 1577.133715 16646.98232 4443.129602 7868.424805 6046.449 3113.175334 1868.798017 1988.124615 7086.626807 3322.419082 1565.126648 3187.191777 2394.27611 4645.886982 8623.184947 6239.520941 1620.080917 2300.535046 1669.482389 4038.980293 5575.657951 3660.965479 5254.118767 7651.067223 3251.188753
Adenosine monophosphate 5436.333042 3072.31143 2243.857596 32569.62844 3904.140325 2952.17894 2191.243099 1615.853156 1085.278062 30871.41657 1616.376632 1561.019694 22260.53577 6004.134818 18215.5496 11404.66714 9633.990757 6654.180103 54006.57826 39912.53457 1837.31097 3905.52997 6471.131907 3482.134458 876.6794488 1507.178 557.5482202 11838.0923 33606.59545 8006.50034 13366.45765 35146.38383 19733.30329
ALA-PRO 56960.16604 73996.77884 56233.34621 148550.1729 209909.534 159157.1167 78206.43092 105624.2715 82680.96282 475633.1538 148895.3281 226069.8701 265265.4953 40301.80011 133454.0232 135601.8664 139332.8682 107686.283 148015.294 146051.6851 208766.3398 25090.23038 212463.6394 150145.0909 104652.8832 83024.4196 75287.08526 92852.65844 147561.0502 120181.1077 174043.3193 160056.2102 72709.92046
Allantoin 1691.108815 4059.921266 2292.321259 3794.532805 5607.16103 3564.672505 1900.181145 3987.354565 2466.866692 19293.76855 3974.443794 7478.802372 6003.165457 1990.696008 1946.126765 2355.534658 3905.292051 2349.68046 1412.738454 4016.984699 2372.359603 5335.528053 7650.02807 4281.128121 1546.244015 2115.54463 1603.671922 3883.311466 3827.712641 2472.979374 4809.548325 4644.772701 3419.454086
Allopurinol 294322.807 476398.3149 296088.6672 490076.1619 851756.7351 530810.0724 316679.9748 583533.2465 344939.3816 2631971.196 566210.5848 885989.4465 1091372.618 455293.8243 221798.7919 307445.4244 682095.6053 504466.2825 196616.1556 724880.6854 344206.4215 907338.985 1072513.399 680129.4982 226821.713 448510.9355 289157.729 653008.4277 609685.9544 453989.2171 735581.0681 519551.8496 386694.1768
alpha-ketoadipic acid 422.5721319 2764.405314 899.8467427 4362.708775 7909.89724 5566.568206 1695.387909 2592.788729 1173.340341 10295.05354 3750.644836 5529.85347 7017.409574 11593.392 2318.191966 3906.076321 3967.485611 2566.595426 1776.117474 911.841001 2728.375444 5057.317285 6426.048366 872.5922074 1781.836325 1961.035341 1362.571788 1585.634368 2977.371694 453.9192581 5357.098794 955.749274 368.9998514
Arabinosylhypoxanthine 683507.8922 1202957.408 705720.2309 1063999.714 2266439.722 1319904.353 787108.2117 1363781.341 365296.4974 4151934.079 1627869.943 881346.6903 3399679.917 928932.1827 763181.0042 866557.3918 2004225.596 1357953.393 615923.5334 1481380.982 735560.1802 1575699.546 2353934.45 1346398.699 562519.0603 980992.3818 649426.8385 2300483.545 2077622.952 1601634.947 1767329.338 1652046.129 1123407.437
Arachidonic acid 505.6764228 5779.783945 1004.494597 4482.912768 10015.1264 7137.76421 1447.16056 8253.980647 2861.331909 6463.744583 10602.89719 6918.014752 6574.041383 1460.891991 2551.762892 798.4032429 2399.795966 4073.046662 280.0662013 2397.739554 6313.85034 5452.349715 11495.56493 901.8805062 4123.591523 7736.248732 6590.668701 5633.624029 2387.601883 6356.453989 1888.166359 2207.543669 1280.650801
bendiocarb 1899532.755 2824534.81 2147962.579 5006701.919 6300565.909 4841179.878 2298072.255 3807284.4 2614610.374 14399980.93 4784886.932 6246654.815 8182796.188 4356052.959 3217763.122 4197698.257 4217681.82 3179806.327 3860775.63 4313505.057 3414265.702 6239452.231 6905192.102 4224101.459 2260564.38 2835631.162 2383648.683 3844428.895 4739309.189 3747721.239 4797267.852 4637461.456 2652589.01
beta-D-Mannopyranose 56485.23098 76945.18912 62106.18394 128783.0288 214219.8912 155642.3566 90010.63067 128823.6924 98345.99066 429931.6532 160376.5693 216848.6806 180190.2773 17108.06537 49268.81358 67766.17241 93660.96305 71401.65251 46824.2889 89214.0742 118859.3462 178136.4477 257298.4171 151031.0759 70765.90818 95875.61356 75937.34111 87528.23217 107061.4935 73273.1835 105196.8881 90755.1936 49400.78795
Cantharidin 19534.21781 30964.73669 19127.62775 72044.85798 85648.76442 124735.6428 37551.118 47223.34335 449550.4062 234771.4882 66816.22562 196954.6302 104143.7071 31600.08391 39913.93966 56844.06563 59035.57606 25898.80669 45039.42456 54734.59426 69019.99982 80317.06941 92822.72997 57641.15288 40585.27064 46150.91603 62537.91179 51211.1646 68812.86834 34906.39519 58046.8883 60423.86353 26875.30642
Carbocysteine 4850.83436 10041.75141 10699.93979 13342.0847 38302.04525 17189.71403 15179.2865 1757.447978 7358.887245 181511.4339 55702.5412 71323.18231 31653.40687 1942.393406 742.1264172 37386.68938 64785.81467 55753.72525 14772.73238 1798.925965 16466.91184 2669.687976 47034.25532 72559.2775 16559.84105 2427.278334 6441.952795 58650.64732 6725.564274 64445.94063 67951.2017 110880.6594 4848.076077
CDP-ethanolamine 5388.211206 8994.95028 4565.408174 11016.83867 14670.21204 6389.09517 5139.58426 5754.962328 1956.559416 28371.46561 8717.037415 5505.095157 23949.28029 4458.972067 4470.072357 7437.8434 13024.87649 7287.105398 4190.272805 10668.51471 5581.682743 9629.671078 18182.45764 11466.39665 2882.541873 4665.983611 1155.529946 12977.66875 14239.30967 9179.725799 9423.025046 9239.749114 7592.50315
Ceftezole 303.1237395 837.1712851 448.7005635 1435.568589 2857.304371 2094.089139 283.2502937 537.9568211 255.8851029 2324.041907 1840.603037 3225.030921 3275.595872 621.2394551 469.5313259 276.6474855 1444.939169 1302.214344 332.9518911 963.1713113 1101.51498 1575.355447 1194.477516 472.4033104 772.4597452 559.6336999 730.35083 1348.766871 1738.192886 1146.368749 2404.090037 936.5674226 700.5676316
chlorimuron-ethyl 753.0503094 1063.284416 1336.618106 1474.342768 2869.405455 3431.514745 1515.112766 1292.748129 2067.157446 9429.669172 2864.464674 5766.953394 5269.023585 347.3012674 2238.403803 1898.348105 2038.69071 1929.31868 1849.789612 1907.171439 2795.642277 3031.417949 2864.573012 2014.775372 1582.110333 1057.81036 1439.001537 1706.88102 2747.379525 1415.578754 3288.935745 2343.528812 1556.83735
Citric acid 25072.48302 27889.83001 35703.74132 92837.10474 166880.7683 110231.2726 21425.53963 44882.63837 33782.81935 433845.3165 111757.1113 204467.3555 44532.26609 34614.91938 22951.9975 32910.28555 119103.6249 61899.90598 26438.89072 45139.18096 33535.28136 174074.8856 80456.09455 73967.58244 37417.71818 42044.66836 43337.89821 48976.60517 59208.52614 54121.71519 63790.53872 76512.70913 35526.93518
Creatine 100403.9587 146448.1929 110322.869 144009.3918 280668.9982 184645.949 110021.9978 177486.8245 123589.9667 608499.8802 190296.5564 287916.5999 474160.1242 112507.0144 117637.326 143310.6696 260143.4679 203770.7251 94372.38712 253719.5614 113227.7157 235031.3018 376292.0392 227549.8864 82407.23276 129258.8939 98920.64945 253249.9801 307096.7087 214410.0761 249941.7685 224384.7222 159440.8262
Cysteine-glutathione disulfide 8869.633087 2374.153617 7668.592446 15726.05048 22278.32447 14156.79085 9398.473762 26199.49941 17601.71899 41955.00765 10539.58058 14338.54662 6607.657627 16154.3031 8025.027563 6031.392256 18516.56367 9317.87939 1217.301771 25630.8639 1764.388348 23598.31854 21934.89211 18055.93537 1394.396202 16578.5467 7847.586484 36719.71771 24599.48341 14312.72023 17300.47755 4281.177179 24895.76709
Cytidine 1257.038056 3283.82426 2237.930854 2262.326368 11440.81906 6845.37215 2018.857806 4240.669313 3638.443066 11668.20756 7553.136738 10822.72287 4812.520635 1936.797075 993.4527221 1270.993207 4111.983013 3394.529753 440.425501 1636.715149 2337.864405 4556.199466 7071.651194 2718.863005 2378.876847 4435.418404 4017.243408 7424.01772 2645.387756 3004.972048 3405.571311 2138.077861 1490.144296
D-Gluconic acid 9276.375568 16827.73864 11537.56888 19715.40303 31726.12364 24881.36947 12819.69446 24442.49042 17139.6233 79274.59944 31027.07088 46853.74307 21013.29678 6521.117775 8291.77606 6971.693081 14115.21601 786.500091 5827.498322 13645.94106 11255.1708 29905.9688 36780.16639 21815.26913 9396.556163 17074.38596 14047.51284 18800.15275 15770.61281 10839.36086 16764.23116 16739.61695 9935.822807
D-PANTOTHENIC ACID 12898.83411 34647.50896 17301.18731 13890.20928 45481.46086 21349.75917 12672.06241 37944.26192 18167.69781 143013.7108 25531.12464 43161.29456 76241.28823 20689.33012 12168.5011 24445.82133 56624.11068 21760.67453 7260.654986 47465.0502 16783.01758 38110.09016 45414.08285 23535.79083 8381.636141 30553.52397 18038.86016 54852.89438 34328.99618 44714.51249 59734.3157 24421.95643 19024.65062
D-Xylonic acid 5847.297702 7950.430408 8869.251878 14351.54075 27813.64323 25215.6817 7452.301437 15645.47384 15226.47429 60761.85756 19890.96404 40724.7744 13481.12017 15038.33602 4820.627848 7874.077818 21158.55663 9231.926487 3307.900923 8092.433836 5949.297505 29147.24501 24266.55 23336.52228 5925.772349 10684.2692 10867.11507 13264.95013 11322.59198 9199.07158 15709.61827 11309.99217 7168.564119
D-Xylulosonic acid 757.8381689 392.738272 294.2208177 6198.557157 31098.24508 25465.42375 322.4705749 484.8496807 757.5951059 11185.37305 2833.726258 9628.420738 1193.730948 22991.86021 455.974883 1072.980804 62749.30454 3724.69612 424.0800323 563.4481144 582.1788946 29462.35168 1105.694513 3161.76244 1639.738893 3133.217298 1501.691325 936.6644341 701.4375954 702.0985845 5340.799563 4475.767656 351.1201423
DA9185000 381971.7498 539701.1235 396259.1133 417558.981 919305.9142 493123.4611 337528.4253 570290.4148 358473.5773 2025686.022 587042.9265 858956.3641 1175772.794 263969.8519 367813.4814 342853.2072 695227.9027 510787.807 186230.4787 649456.233 301272.9958 799436.4871 1113667.262 663613.7855 167586.3002 361259.3295 232616.3602 635346.6987 690134.8423 518487.3364 680825.271 539961.1118 378288.4563
dehydro-D-arabinono-1,4-lactone 5434.162272 8310.331844 4564.819065 832.3377944 8373.448713 1232.662888 5549.793384 13036.84357 8995.606231 9755.366075 6316.457448 7411.181677 18096.02071 587.9080382 3112.987064 7334.45671 729.6965543 3360.688474 1250.204975 5900.683164 3336.505648 5400.914195 25295.96169 16203.67965 1645.143116 9893.642298 7178.113654 6106.643055 8051.948534 5568.195242 7438.949581 2899.421637 5066.060701
DEHYDROASCORBIC ACID 27386.80002 44519.06789 23884.00345 1426.510254 21468.94504 1689.191973 54024.43297 50609.5359 28007.97655 29678.27668 25574.24088 3906.963899 94956.61832 348.4820034 15169.61298 16325.06501 765.3756188 19876.59724 9932.089841 36731.6696 26351.29515 14170.03434 83337.41277 43388.54343 13084.30979 27669.88318 15625.15635 42120.2008 39645.60015 28210.44717 51470.13262 18896.42784 21650.71247
deoxyuridine 1206.910843 1669.574577 879.3833654 1632.373585 3593.404103 1835.242512 660.8804556 1775.397474 474.4648638 5715.909081 1682.894588 941.6715522 2116.127681 714.2572068 632.8219196 959.1460554 1545.204123 986.7237014 585.0996439 1504.403149 1076.378138 3416.324259 5825.47712 2358.682059 563.1621277 1051.512975 874.4318034 2414.901896 1699.978637 1324.388568 2104.190513 1983.046985 1034.459443
deoxyxylulose monophosphate 244345.4198 469249.1387 282089.2089 520669.0456 700167.2231 520364.9755 180988.1882 324843.7144 201730.6042 2419290.61 735976.469 995468.9053 599371.5697 139529.9064 196030.9879 163852.5672 126549.5694 318599.8055 157613.1985 369916.8736 308493.8034 361430.1016 540550.7873 295068.3331 298786.9489 327919.1015 281950.24 774737.6269 570915.6667 325428.7935 739757.1792 313014.0044 249830.6403
Diethylpyrocarbonate 4457.275958 4931.857288 2574.898012 46600.31706 30648.58408 28174.90365 5005.14817 8996.898998 4769.73991 23615.19283 9754.242348 10931.49832 9411.801332 3577.986575 3579.581819 6009.630375 6496.686455 4559.288622 3786.146772 5844.312849 3943.031552 9725.356273 12756.6644 8091.241556 3734.233014 5569.008822 3788.111512 6815.013359 7619.951406 6853.243524 6973.808602 9748.247518 4888.03071
Dinaciclib 39.04817084 1463.172241 246.6119944 862.776439 1914.764919 1335.325541 442.016053 1127.39133 586.2280378 1046.897542 1367.434579 1097.54323 827.8201183 96.6267647 182.0338172 69.18663297 178.6893124 533.2064016 61.50174546 133.2434584 1524.51752 1583.401692 1445.136346 74.71461359 739.8589288 1423.021271 1336.873552 771.9332211 112.2489625 668.8900638 147.8447361 189.3267616 51.40765619
DK3970000 390.4740184 178.2185855 278.9477673 728.3794735 1249.657913 643.4413212 474.1689368 500.3443989 358.6275507 1378.929935 331.4572466 678.1541043 972.0267326 177.2548103 606.4765678 284.0928405 600.621663 322.4245517 247.3194098 319.6632275 436.0218825 538.6234008 861.6089628 730.4907373 303.8462238 233.833585 286.5288427 432.659837 2290.229499 1357.791422 482.6652706 449.2511795 225.9409784
DL-Arginine 6926.239698 5786.723778 6571.615731 14497.67112 18569.31357 13843.66016 12064.95729 14818.39869 11801.036 57570.8115 23781.95577 30108.41611 18826.09569 5117.916253 9136.947685 7876.452594 11233.45611 10344.09866 5001.512167 12102.65618 11633.32211 25022.91944 36685.441 19996.47406 10558.6114 13497.84983 10010.84602 12768.60697 15028.63042 9456.16127 13013.04043 11717.72074 8325.600447
DL-Citrulline 2255.70509 2912.415004 2384.421459 4096.821538 7746.097842 4391.184937 272.030564 6555.445241 3778.609638 27743.7544 8880.091023 11369.29023 3840.107486 1539.256275 1254.922705 1576.10942 2561.913356 1726.750967 862.7133359 3737.205349 3599.693521 13712.96078 12511.37306 6875.055737 2484.969743 5641.876092 4220.047078 4061.387071 2769.418847 1905.057445 3765.223333 2802.591766 1714.322774
DL-Histidine 185.3166846 10972.30716 9499.701616 14016.55783 24924.90859 15062.53268 13012.78428 22544.91995 13577.00328 68938.73123 23804.08015 30136.9916 20880.78417 3988.865193 6055.442266 8686.223296 11497.11054 10430.36649 4660.814449 14865.35982 13011.98007 27337.28372 42482.00745 22531.08347 8717.492859 16079.79076 10424.4057 13902.15865 11948.48649 10271.12981 15663.32099 11712.70091 9004.560562
DL-Malic acid 100076.0003 130766.0624 92996.97603 477992.0232 189594.3488 1210435.128 99996.35385 178116.0588 114063.8254 615038.7576 163353.5664 536180.8205 318336.2143 106517.6482 262302.6198 131067.4916 176543.9622 138144.6617 71559.65681 203315.3704 90359.9723 225733.6914 321762.2535 220377.261 617651.8886 110201.5789 71307.33906 234696.9489 217298.9607 146076.2339 228528.6895 178186.1426 140353.7775
DL-Tryptophan 6169.470531 8301.365067 7770.374751 6561.830465 12989.35047 9607.051403 5877.754447 12926.21493 9488.782334 32907.10921 12906.83548 19432.85148 12951.73646 2944.230483 3289.98127 4285.412718 6111.413601 6327.324304 1990.077964 8426.463686 6495.887404 15595.68439 21881.30223 11296.45955 4937.969195 8886.015257 8165.783195 10414.67348 7696.038478 6428.375837 8933.411238 5550.075563 5749.995883
DL-TYROSINE 20176.20824 21754.00199 17849.26997 24308.81987 46299.25935 31757.6382 18794.33825 30238.07355 24638.65284 97266.64854 39876.3505 53725.02963 31780.1123 10782.52018 8076.255195 9038.683272 24444.82418 20608.22976 5910.863824 17408.01717 18739.21535 42669.3683 71712.77847 44309.62815 14686.08317 24387.75803 22572.6718 32766.46772 24929.41125 12719.67252 33963.03261 17763.83038 16246.24265
Dynone 841.8657176 995.2261043 984.6381484 2963.627423 3535.035177 2348.366521 1344.231827 1576.083451 1110.507964 6792.595558 2897.408782 3671.252401 4181.726541 460.6067558 2179.257697 1460.109353 2188.506446 1293.644033 2356.438102 2198.054382 3636.274079 2877.961848 3980.416182 1503.964648 1387.326507 1128.738114 1248.769577 1738.553378 1488.526488 2155.153458 2193.031292 2545.988908 1108.703784
Elacytarabine 1658.743218 24211.54776 6835.366747 37481.66526 52637.11248 29840.60851 11639.38357 23437.21386 9955.257992 58001.18371 18835.27095 14111.88681 62377.94221 15177.10252 32952.97305 1837.1609 37293.06417 30651.42785 1079.948727 10389.785 29700.38246 55517.88179 26571.74685 2139.259824 25828.42428 31976.66571 18335.65265 31732.08685 6356.319385 35447.92729 2139.776948 16203.45303 4587.939207
Erythrose, 4-phosphate 2477.251309 16953.10803 5202.182125 4192.373856 2314.666031 1177.780304 2419.688426 6275.827505 789.2584635 10031.37409 491.6920763 675.3769048 46523.88737 2867.230781 1738.421303 2672.808716 7301.509055 2468.651336 1354.526809 3792.73338 2893.924247 5150.407646 4598.930009 4389.930695 452.1191566 1017.681634 226.1576713 5373.574148 9733.97866 5173.717414 6713.213117 2792.559866 3714.57008
Etoglucid 1630.309046 1607.441482 1174.926774 3835.387352 7273.13899 4506.015615 1699.839578 4445.143369 4005.19886 11837.80219 5819.79174 7396.89134 9733.264171 6216.827979 2848.69073 3539.000634 3789.549573 1766.220483 1967.331104 2467.857412 3959.539849 8577.790682 21143.56802 7614.364033 1799.328704 2484.833945 2450.137893 13905.88251 9277.51608 8100.033973 8214.361208 6256.643776 3270.500477
furoic acid 1031.76986 1180.115377 1098.266496 2448.556878 1944.545924 2560.588296 784.4709793 640.5960166 558.5464806 6228.123458 705.2170866 2810.1683 9016.512941 3894.283164 2181.143275 3877.347695 3856.345794 2864.810877 3092.375162 3636.10994 960.6993794 2297.451343 3092.185285 2787.815539 732.6915953 352.3631627 629.0026265 3346.785796 5904.739794 3789.588082 4744.776414 3831.523171 2071.106686
gamma-Glu-gln 1663.059894 5999.26929 2191.311603 5368.952524 22950.0906 15932.96787 1563.131846 1446.304727 1307.387122 36491.76614 5993.036937 7911.478748 8655.16441 3689.415831 4546.218067 625.4060889 16494.90047 13501.48307 3233.349798 6514.174153 1413.354039 12995.04712 1455.986812 250.1321716 2507.313435 2003.67919 1846.07887 5642.747274 9056.454768 15911.32896 5528.94922 4231.142879 5074.891394
Glu-Glu 2340.746572 3876.097126 1655.735114 4023.219085 6003.758276 3967.359267 3039.085357 3410.202445 1479.83976 26774.74615 3254.628294 6152.723225 22139.99188 10207.62543 4763.338085 6734.863962 15106.61722 10025.0656 3822.584766 16279.45617 1605.931377 7475.730937 4394.559899 4132.854498 1430.151116 2570.034192 1284.28269 16610.56884 13339.88824 16789.67369 17913.88783 11723.5801 11175.46351
Glu-Gly 752.7994525 987.5264501 693.9163645 1513.554913 2547.69206 1225.805045 912.5736195 1342.228421 736.0944963 7026.128461 1890.393043 3379.018167 1638.416027 734.3527529 294.9970749 395.3232914 1431.076547 950.1489066 515.4582799 1504.621155 750.0001396 2755.891534 2967.683886 1510.828043 373.9672209 1071.196112 565.3572456 1896.180748 1413.524677 1453.449716 1624.816784 1538.746289 1017.005477
glu-ser 904.4020483 883.2984652 653.6399709 1726.998961 3150.252468 2055.245816 933.1993695 1238.57857 672.3555673 7780.446636 2416.509367 3432.773075 2253.065812 772.6534976 664.0194606 637.260325 1494.029017 1344.786791 447.5667373 1549.44853 989.8544177 2377.614577 2723.448095 1365.301726 722.5282716 1050.88022 694.5423879 1615.176217 1343.892146 1287.668482 1781.913809 1399.917577 1095.967043
Glucose 1-phosphate 222138.7397 370257.1795 265520.9855 294674.3085 500755.4091 283416.9002 282245.3926 450733.4243 331683.9936 1607277.727 488135.3884 490237.4853 390332.5622 104005.3229 110451.8423 159089.5013 200758.9063 185361.6456 74308.9359 245067.834 271833.7875 618924.2791 785171.1424 533376.2604 196343.0816 359369.5463 217984.9099 455269.1597 232503.1986 154494.4542 284228.7959 171774.5189 117807.9781
glyceraldehyde 3-phosphate 47881.58012 40653.06023 36816.95693 56629.22372 66352.71038 27558.06784 59513.76588 104300.3133 41462.69896 325645.7913 22128.33304 33314.58187 157611.4157 28339.62983 9047.632262 46013.49396 59691.21171 42836.87858 24738.00939 133314.3617 31751.19989 152621.9518 166176.3788 149567.5376 21289.45941 46861.85652 12955.51871 89622.66456 57544.88 28715.61813 43968.4834 30617.47083 49907.52156
Glycerol 3-phosphate 26205.48811 41278.01028 40065.56344 17580.8561 83969.01113 54260.78616 25300.45264 110433.9675 92916.4212 95774.5338 63942.757 97922.64125 89688.22135 33279.69188 21241.35851 45047.40462 57659.94522 42266.41765 18159.90981 35838.15994 14865.47468 103881.4627 149873.1882 128085.2078 21191.70508 42374.04205 56889.92317 68030.6185 79002.2188 63727.15678 44488.99394 35682.9189 47162.70346
Hexaric acid 7158.202412 6365.550068 14816.16931 24642.81173 54433.5436 37085.90221 7690.195691 16478.0786 12437.5518 149629.3578 41476.81927 78148.0166 12467.45835 8013.492719 8697.983193 11682.91856 31593.0708 18958.01951 9915.986857 13421.95396 9973.457898 53565.22453 28073.41348 31727.17124 14496.15176 16054.39664 19602.37414 18260.4001 22954.44741 20616.98244 23630.43194 30641.89132 13012.82348
Hexose 1362.505281 1881.362259 1613.136657 1467.702019 3042.775111 1762.650438 1244.633753 2179.06382 1384.989951 7415.179735 2174.412433 3020.423894 4467.374637 743.3066787 831.0509535 964.0908429 2840.86654 1890.784843 513.3624355 2238.189055 884.2106597 2895.418318 3579.799584 2440.522991 460.2313981 1156.229224 742.7495848 2380.461121 2241.665063 1846.513919 2394.644595 1501.558201 1346.936409
HIL 1362.876014 1763.054349 1306.472247 2202.831006 5113.338829 3350.625548 1781.061786 2900.167275 2157.105382 9018.881825 2510.888199 3203.501749 5300.107509 190.520906 2047.758906 1837.634971 3304.892686 1944.644324 1042.696418 2700.976228 2928.557215 4862.567247 6357.997009 4019.607763 1958.648674 1503.207115 1475.143215 2329.508772 3047.784823 1825.93997 2722.759299 3150.853198 1218.655211
Homocarnosine 6237.444671 8686.823654 6616.383009 13029.94873 20633.85059 13411.98531 9886.158344 12261.00952 8556.079023 36697.06825 12252.22798 14758.12831 24046.84609 5558.045267 6625.533961 8337.65078 10817.53769 8136.176346 4943.963241 10504.88051 10257.53631 15036.68205 26147.11014 13780.77528 5693.201004 9007.760519 5136.387264 10307.46597 13157.4407 8771.347934 12791.06171 9643.480397 6973.254117
Homovanillic acid 1949.797753 2650.8846 1890.807337 3003.614364 4027.596099 3398.537986 1485.874169 3302.177939 2681.858682 7351.136501 4172.642194 6039.233805 3968.805737 1273.811057 1431.029428 1910.617454 3117.386146 2984.8793 927.6989393 2276.069047 1350.032373 3878.731088 5033.297283 3240.89734 1951.628747 2993.207691 1951.955196 4144.742468 3875.594738 3118.693652 4126.815134 2639.447623 2780.993299
hydroxyacetone phosphate 2400.728316 4500.105012 3650.489568 11698.74941 17136.25152 13338.14545 3321.337825 10668.98528 7207.297774 27400.48537 15916.11356 27921.42356 7217.936016 7104.394749 2394.804607 4751.211768 9934.964873 3570.40351 6161.071208 2429.420692 8285.861799 23107.25666 24267.84435 9193.778746 7169.292403 6092.035568 9944.814303 3848.146099 9344.92461 6545.517941 3958.694692 12829.1322 1383.546139
Indoxyl sulfate 523.7136518 4342.252632 1220.736799 1047.902705 1987.199611 889.0003982 1087.470889 3307.474946 1228.548535 13066.53849 1308.719903 3717.535429 4409.321227 342.4643138 650.3676674 1989.942758 1336.073901 223.2860681 333.5121375 2920.199071 661.4010109 2471.588361 2936.758739 554.3444784 700.1798329 1538.826815 920.8928936 3800.562647 1097.585444 1142.309606 2258.707622 3537.209045 2985.656983
L-(+)-ERGOTHIONEINE 2589.19495 4305.086228 2627.223337 1383.929103 2392.196165 1631.694075 3048.588341 4431.553012 3331.62429 5312.239569 2686.356798 2785.537714 7118.630243 411.7387674 1749.215133 1230.232696 741.4996931 2963.369249 617.5938563 1765.187471 2045.047424 5711.192438 6297.627072 4657.989349 1292.891559 1462.823463 1136.674659 2168.472708 3804.68916 3006.588848 2707.04307 2169.557751 2045.759756
L-(-)-methionine 6140.38209 6374.729467 6357.481686 5566.830264 13273.70646 8433.442918 6381.930496 12730.20355 8465.006157 29713.66625 12903.89418 18417.24734 6064.644828 1768.980651 2578.900159 3091.706437 4211.707025 4434.250568 1690.264664 5626.141346 5950.199166 15542.66465 26242.97733 12821.97483 3874.660755 9199.099585 7103.614 6352.097792 6638.219211 4206.362877 6384.999155 5315.49755 4058.648646
L-Carnosine 6974.797879 7882.205254 6987.641562 8602.851857 12270.33192 7846.401176 9305.912097 11223.78598 6775.896069 36003.23144 15163.94463 17025.03124 19524.26098 2883.591078 8388.269705 7089.611319 8796.869066 11106.1906 4714.035128 9289.784291 7319.528369 11901.59512 21878.00471 13957.93898 5760.70191 7754.680263 5148.791402 11313.25775 17604.00142 7352.794802 14534.73311 8848.872405 7719.240768
L-Glutamic acid 198563.6055 316446.1355 206814.6888 364794.5694 525483.127 385465.6921 233118.7433 336903.7676 244248.5937 1346913.769 353724.6902 529632.9281 1357281.389 335206.2214 299027.5504 474800.3394 795595.8998 566952.9739 272089.9227 721512.8015 252942.341 477656.9412 682874.4347 594750.5451 156802.8002 237952.2261 176356.887 850971.67 777170.2205 741808.5935 795418.5679 584690.1876 521456.6227
L-Theanine 1100.285325 1816.662006 1140.692488 2270.143289 4132.951214 2310.005441 1232.25254 2035.752579 1260.240235 8163.064411 2972.188198 3643.723885 3342.880276 1032.090258 880.5768913 842.92466 2569.565204 1653.354924 783.7826302 2102.792352 1163.839763 2673.663115 4112.85229 2415.554816 870.1718379 2084.044264 1150.294672 2529.37948 2173.502734 1540.617503 2093.529965 1946.611866 1166.448144
laurilsulfate 39561.89517 80774.50388 33736.8856 205645.0526 202733.7976 138743.6429 73233.7073 94730.79747 51232.97993 512175.1712 212155.144 193607.1177 271774.6737 1222937.866 160376.7127 80029.61808 211791.5835 124985.4373 71142.25415 101040.0231 144508.3769 318139.6579 234352.0613 86197.78194 85400.97423 71407.74595 48644.11074 358996.7295 218376.6881 262867.8319 149315.4597 182224.448 84802.98804
Linoleyl carnitine 81.27848477 125.2364873 100.8171641 832.4439816 945.3977604 729.9482501 124.6918964 278.0342335 144.2334618 691.2032682 566.7484815 350.7694707 568.4100449 29024.89289 612.4973706 151.2980179 558.3882569 249.5670666 131.2100657 184.3673505 263.3655952 841.329598 334.5003912 175.1235144 375.0799157 118.5502303 136.4900832 2090.44608 393.339239 1654.748216 223.4287712 486.4654257 2435.781017
LU3453000 1145.856691 1937.83451 969.0894876 654.707519 1128.374438 449.5124548 1603.355013 2363.500576 1139.562367 1561.992258 1029.774531 1599.1167 5030.547875 107.4921808 1058.255935 735.5275929 198.310819 1047.507674 455.7173387 1319.648584 1190.309039 458.0274438 3362.299516 1995.760083 725.293478 1306.452792 417.1237557 1362.592417 1509.385123 1058.347444 1990.417156 955.2359936 1146.265004
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 3485.263505 18650.94861 6810.327594 49757.00338 65697.473 46980.38642 11342.08951 31188.56103 11855.66064 145030.5846 27307.08661 29419.69891 68000.48731 51280.58756 46593.54413 5264.231415 53530.55369 43643.68724 9439.500027 22828.41183 59490.91123 72801.17161 54141.82557 8208.429849 44782.9661 40570.11723 32470.06418 22162.56038 19436.36131 51777.00146 10549.62966 39037.36008 8425.307355
Maltotriose 2371.497387 3311.540266 2085.839372 90158.43355 41066.47607 56602.63632 2762.496193 7229.364087 3136.097433 12132.07784 5483.153929 6390.778675 3774.839214 1014.124522 999.7213932 3648.31936 4479.823165 1563.392441 950.6739576 2400.162967 1934.671661 7316.398572 8049.24032 6578.708149 1956.454066 3645.867122 2242.376084 5920.718353 5639.561232 3083.446147 1841.271281 8990.714275 2547.22976
Myrmicacin 12815.02716 11443.19177 27286.18569 30488.53607 37986.82937 79985.42351 16495.88058 18207.40318 154909.7768 84875.26651 20054.92543 118955.8622 47650.15509 21826.68997 21225.47951 22068.52783 26833.93058 26095.93693 19861.40644 30493.00486 34246.50366 36276.00521 51601.3684 23814.88725 13061.44541 16975.94017 63616.744 24622.13305 32541.29683 21654.11248 33222.05303 31650.60483 15661.57837
Myxochelin A 1670.179143 2516.277675 1728.149301 2358.441767 3849.273044 1968.417271 1349.218476 2693.165464 1565.809091 7871.397319 1573.040089 1073.453935 7136.580212 2709.66504 1037.233829 2302.005699 3128.925005 1724.461756 1323.269903 3312.026952 1330.771877 4494.018408 6103.0376 3853.577705 785.8451396 1711.175081 855.1315796 2962.781346 3558.713018 3226.165385 3557.380758 3474.990001 2333.246152
N(2)-succinyl-L-glutamic acid 2173.582547 3352.955428 2549.100962 2431.27121 2879.635539 1907.442518 2620.820316 2516.843799 1868.911727 3717.896184 1992.58809 1122.631083 21263.90469 6683.492672 3955.040667 6062.871913 10365.99162 8695.795102 3078.509715 7231.462288 619.258564 6449.540565 5602.347853 4133.569349 788.4496235 525.5685014 489.9055325 15289.18215 15009.28459 12195.41781 8803.193274 9553.597484 7880.845954
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]glutamic acid 11432.89482 18854.9058 7706.031645 13933.76171 26783.78982 13707.82373 6899.491177 10605.0479 6131.598865 37171.64454 13745.16097 14996.87686 48502.39765 13339.2356 6673.723876 10409.83144 33588.49936 20976.97049 5885.696989 16367.74636 5898.518833 22447.23183 27610.82128 20226.01644 4718.400079 8808.934538 5859.267414 40687.74503 25962.11667 18736.9782 30512.8532 17577.86697 17195.77905
N-Acetyl-L-glutamic acid 1295.939458 1264.567004 1094.032391 2372.073474 2895.804281 1757.367761 1187.721835 1150.979044 930.4410765 9412.542554 2571.639121 3197.095426 9872.261414 4610.668203 2445.208493 3855.571472 7285.516656 5665.593149 2158.844996 4934.626017 291.8548951 2516.174683 4368.950999 3183.856773 827.5456024 878.7491251 469.6512955 8271.455211 10102.57617 6337.140627 7723.814138 6070.053871 4439.989703
N-Acetylglucosaminitol 985.2349915 1374.665108 1063.391123 1235.10947 3435.043839 1282.500127 1013.602522 1874.520295 951.3740185 5030.844119 2017.420146 2566.34054 3358.50249 245.4368463 813.6550362 927.8415644 2281.332643 1691.47469 486.529834 2049.115181 1174.290435 2156.637904 3779.043655 2547.035728 722.3886543 1172.870209 839.1480177 1845.468539 2190.065789 2059.15209 2548.323029 1908.282335 1410.506306
N-Acetylneuraminic acid 8593.494922 13284.81708 7932.174413 11497.33495 15061.90177 13664.98104 6584.779489 13789.95184 6222.622874 72536.12004 16246.24609 24916.56294 50964.60902 16058.63833 9026.796515 13297.23296 23651.01561 19559.22249 5123.806712 25501.13349 9274.022616 18148.93108 30867.87794 21742.29699 5291.543497 10445.33359 7404.573047 40437.56171 22631.15033 25046.94472 28494.95148 24089.58001 13993.59138
N-Methylanthranilamide 2354.863449 3626.275591 2606.489556 8012.839466 9180.1996 7627.062738 2977.250619 5870.632376 3736.031605 21897.17952 8597.835893 9662.905055 12136.20338 1851.355681 6757.177659 6234.057298 6631.491437 4703.746692 6804.969528 5661.555447 8805.745363 8710.368612 9578.867051 7297.301681 4283.5478 4382.328173 3393.420048 4278.772661 6244.109588 5761.776873 7846.306848 7633.053464 3772.08988
N1-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide 1932.595443 5200.579988 661.1155552 827.0653127 10991.05079 9026.96678 690.3075486 6857.176838 4401.388665 24649.55656 8136.741441 12432.88999 17384.27289 4460.113538 5816.265578 1115.911232 8765.584644 4720.010102 4007.294515 8175.598817 5568.305119 7968.879549 13434.44239 7671.494795 3197.840922 4761.983454 687.8118862 7710.012757 8038.973079 7155.917153 8335.249164 7525.026196 4150.222058
Nobiletin 79.70410161 156.1739748 133.7486544 1078.957596 633.3715935 701.6107736 276.6715292 207.0708412 557.188546 1849.438271 1441.423284 3081.828875 1519.117165 19847.47253 670.7329418 192.8789208 1385.544239 496.245716 129.5504641 204.4373855 308.5667505 1237.188401 1747.449199 135.8449832 147.8002285 586.8720274 448.5088425 5460.465349 958.2631225 1048.901596 983.7472463 1561.424903 316.8511885
NS1800000 838.4347374 1359.901878 691.1290407 714.3693215 1417.999487 691.1583158 956.7121458 806.6325433 533.1947684 456.9751764 883.643078 212.7146882 7613.878353 2804.090643 1519.27313 2258.78887 4429.040004 2619.204994 892.9438718 2151.885298 153.2765913 1862.610679 1910.283652 1238.293227 194.5278906 152.3217847 89.80416103 4942.193328 5428.71017 3921.131896 3272.293978 3588.215274 2857.355657
Oleic acid 103.3600468 2428.515463 3925.23625 3408.932183 4721.117 4111.297672 447.6920946 1817.684051 3023.296919 4762.629196 1745.700968 5932.641812 6949.446519 1885.926325 4732.102012 187.7947087 3635.109812 4006.347819 189.0677869 923.8952729 2621.259562 3654.424363 1139.322512 203.5286771 1450.454241 1122.267852 3370.753818 2916.158852 576.6998963 6325.18378 250.6221725 1452.44141 459.7857133
Orellanine 5063.039671 6260.422286 4395.464072 9650.300387 12467.49079 7185.959112 4117.429625 6244.907922 2571.551701 24480.3187 5347.19547 5701.256997 10362.92787 1686.180242 2348.953214 3518.010103 5221.598472 4435.691523 3400.554621 6338.286833 7435.503678 13234.25846 20273.03437 10560.39259 3311.464696 4012.245218 1708.441668 3720.525305 5835.380331 3745.39507 6939.466979 4919.752501 3336.69539
P-DMEA 17094.66841 26626.36081 17693.51427 31812.77878 42347.58618 22173.78405 17025.7148 28282.95307 15153.0353 108239.0736 18260.58022 18350.39962 79746.84608 30818.74731 13766.17232 27638.775 44170.48872 29999.19098 15667.94217 38713.01058 21486.93753 47937.68915 75424.70248 42843.92114 10980.72893 21045.06399 9573.344451 40164.14143 43924.11904 32437.24745 40572.78081 35889.80111 23678.16055
Panthenol 100.3937871 50.942965 45.63043853 1429.89664 502.2412416 647.5832983 203.0706389 358.6651665 142.5712344 2085.88623 651.6400078 814.2530272 2728.582962 2788.897019 420.3743548 732.819368 583.1073947 1727.932107 299.235227 341.3027114 342.5730626 6149.471517 1005.508235 219.8698136 264.026169 139.2762108 159.0495495 4781.015943 3414.646387 1341.722614 1481.484435 1139.814575 247.7098444
pentoxyl 582.2249179 524.2863054 575.7709255 3194.641808 2266.190524 1981.611685 413.9480763 928.5166416 568.0114304 3204.672353 721.6428649 1369.205983 1221.949507 164.0882236 240.1465109 239.2915963 695.5064562 577.3540029 161.9675684 574.2013831 420.9637989 1163.110868 1481.926613 773.561108 420.8822188 699.1617366 331.5659669 1250.778775 713.1914897 531.7778216 674.4807653 840.2749485 410.0311324
Phenylboronic acid 1975.881667 2924.334791 1657.914968 5335.354756 8829.02892 5637.642243 3006.181678 4399.390642 2199.675983 16572.37519 5352.560259 7733.709165 10194.8146 1942.892717 5625.954143 5041.951603 5571.586868 4266.151626 5724.331033 6551.267667 8071.148642 8099.680568 7393.577498 6596.587391 3809.676559 3517.583365 2387.167693 3091.02394 5423.900852 4937.416481 7564.843592 6795.163577 3380.02464
Phenylmethylsulfonyl fluoride 855.5188332 2780.463896 1479.909674 1650.06904 2196.095268 1477.180526 873.0487351 1331.617887 706.3471 1572.60874 1012.815802 1718.958815 2054.521901 1248.643368 313.4413831 494.636209 1420.270852 1468.039815 201.5828314 1587.652225 764.7007564 3206.21037 1490.929793 1850.073128 453.6424567 465.5590989 462.7682039 1467.798327 1028.33759 1280.258629 1405.46188 1178.350211 924.4195483
Phosphocreatine 6401.08433 7597.507775 3917.365697 1534.782467 16336.22569 2124.791448 1999.442878 14247.42128 2338.260455 26649.03615 8759.49894 5112.886778 20396.55524 17087.15008 3240.977163 10443.93235 18972.4436 4700.729982 3058.669552 9858.140009 1026.212034 18700.34747 15403.12257 30640.28477 1371.176374 9222.427126 2971.870321 22736.03505 17793.22244 18370.5175 21263.56017 19016.57249 9298.148425
phosphonoacetaldehyde 522.6555522 325.5755119 477.0225512 971.2459955 704.2455958 546.7961356 537.277842 1025.397801 469.9253942 1480.13542 780.6139117 1290.089941 2861.031478 1615.878789 725.9176132 484.3379554 2242.844427 1375.534488 477.3575135 1592.642394 880.5612763 1612.187185 1863.456998 1465.078482 351.8800884 476.6802482 266.790408 1745.82195 1001.703196 409.1483046 750.0989214 1547.496452 281.1044214
Pirimiphos-methyl 40562.36431 61639.41302 35428.46134 55179.23191 75118.35462 41892.79827 34169.44045 29171.7483 22226.29683 2978.412636 1551.381525 32344.46809 386657.3931 114397.3944 67682.87917 93657.88887 221749.0604 153389.9485 49180.74846 132074.7108 1211.173039 76027.98462 81094.58309 61930.20783 624.4143726 9866.845997 8016.172519 308772.1887 244915.4005 171342.5323 195738.7041 146606.9143 124498.2264
Pyridoxal 866.7983906 2206.33363 1282.109688 1890.294585 5487.778118 4108.397925 1442.129298 2952.719415 2483.983807 11590.64343 6052.73771 8424.293217 6177.682274 1186.265768 1219.277247 984.7316974 3730.85905 2567.614667 301.4640549 970.0841239 1403.88944 2224.780771 2907.192083 1731.632602 1127.989726 3050.550449 2923.526456 5008.605841 891.6392279 2406.114034 2795.225009 1581.678097 745.9950398
PYRIDOXAMINE 30967.88765 39073.04755 28080.96614 78588.00617 111343.74 78569.71802 42678.84413 56381.66769 40013.21367 247268.6284 88489.08158 113034.5582 142952.9921 23534.05909 68246.63581 69399.92893 75851.51438 60970.27861 75966.8204 80164.21666 108107.7238 102370.6284 114052.7962 79176.66723 54863.7858 44629.69717 37551.31941 51251.66623 78913.07852 64548.07943 91429.00257 88010.63268 38664.55425
Pyrophosphoric Acid 20497.6947 35312.54748 21646.51268 16542.73141 56744.30884 28028.93957 20638.75843 39124.7485 24228.07574 109107.1447 44182.88324 60662.70629 81210.49547 31223.75521 11759.68674 28114.91426 58598.72897 34903.89643 9332.505845 38653.37516 6246.839004 38210.79112 58545.06258 40128.02095 5622.132441 24814.67097 15122.40605 78012.99484 53152.18831 41725.16851 48413.64158 31372.79213 37609.21845
Retinyl acetate 313.6883855 5771.604594 1289.398139 6278.47202 11936.62551 8903.864835 2820.402557 7169.795652 2609.198684 6699.447051 7867.197416 6206.530319 4572.426203 643.9989525 1602.741727 253.0488369 1358.736779 2816.957145 87.06378543 1152.474658 8549.527907 10357.60054 9378.663338 541.0436057 5100.599608 6873.657059 6505.228604 3095.74127 1123.20558 2938.801436 998.2009042 1213.644992 527.1149438
RG1300000 2778.786354 4765.716323 26201.74353 10371.83739 12774.74586 51978.33867 4968.343007 6785.297746 98816.1266 19096.76405 6935.915833 165961.3493 20342.4472 6999.589137 3464.106724 6033.002133 4518.497336 7856.80357 5905.398747 7847.771157 8754.368371 13970.77507 16435.3725 6741.798882 5022.469526 6368.948335 42457.23647 11012.91891 13718.60789 7445.695197 7416.123655 4392.217991 3375.47196
ribulose 5-phosphate 77146.48855 155917.7207 90270.55543 123878.1998 222932.565 76911.87222 107704.4904 244417.9434 90646.75803 396623.3493 139074.4196 70988.80691 371814.1744 73845.09397 85290.91825 142290.8471 162373.2789 112447.0581 90518.18207 151528.2931 70407.04475 296273.1271 470040.2931 365493.8941 50254.31599 143202.7808 51921.50504 201354.8218 261602.9731 132829.3793 133920.7507 139311.3705 101144.383
shrimp shell 3530.570765 6221.226666 4576.040868 5936.921364 11637.79344 10118.07603 4116.903967 8099.112901 6856.830933 26002.53083 10046.63361 19777.68891 5095.298618 3345.672529 1433.140016 1791.086884 3150.751103 2427.653093 633.7890272 3456.776166 3472.806081 9717.282208 15137.97787 6810.680012 2711.98238 6765.834456 6986.714943 4984.944287 2580.15291 2530.226153 3492.765371 2635.062888 2570.667988
Stearic acid 342.1372537 531.2537806 1452.974499 1660.69597 1543.876399 3443.584154 693.2556487 1143.465774 5035.608594 3382.62963 1177.833065 8635.098935 785.8491685 1216.871506 402.4943824 800.9508472 2383.1494 727.8322814 300.3552522 677.5730155 436.6015708 2335.239316 1845.707111 449.2465988 866.1749094 1125.971057 2820.45004 1191.383883 719.0046617 928.4310791 617.6491155 826.6764458 481.0380125
Stizolobic acid 130.8168332 1302.979491 686.320194 1288.974779 1724.537453 725.0339745 688.9528845 610.6915049 506.5142659 2382.764499 741.5055483 617.3990754 10643.62533 3072.092864 1756.076245 2605.456356 5946.223746 3910.755028 1264.681307 4006.683654 170.1093532 1924.28656 1983.885346 1502.194699 225.859483 213.646218 157.0830216 7826.407685 7119.882526 4607.916335 5426.945948 4414.945515 3035.727663
Succinyladenosine 3235.981391 3226.610054 3251.089556 8963.326504 18386.72074 16021.5058 4081.992272 7485.284504 4703.981204 18659.50608 15900.08983 21365.39723 8163.266643 2903.530812 3934.266579 5631.860541 9689.445489 4978.213627 1738.069642 4306.035402 2206.824922 5451.562294 16018.25194 4693.318202 3038.043693 5341.093834 5051.424306 18749.82552 6814.405947 7474.477116 6835.812245 9335.99887 4845.13828
Tauropine 1517.279903 18827.3272 6681.884122 1873.337557 5177.035659 1577.738208 13139.31442 857.3004791 6045.0938 23592.94632 12690.63351 11276.51484 15890.75702 729.6057234 469.8527492 3051.546428 11158.63362 9367.36617 1931.330475 761.3458655 5494.299758 849.9605125 2059.880265 13909.29915 2357.735377 977.8892811 614.1505911 10343.08978 1226.662826 1645.814158 12646.3449 5225.323511 1224.319466
THREONIC ACID, L- 35975.04118 89078.48546 31117.24284 55948.54103 108571.6319 54926.37746 41289.86006 64302.35561 31719.64192 356305.9473 84871.01538 97284.05624 171026.2623 49483.15864 29292.78582 41600.19942 103897.4398 72752.97373 38709.26025 72333.63581 41879.09497 93533.79162 143441.9006 109133.4495 31938.21271 44462.52801 31290.5777 96086.44755 97929.0511 62577.47139 83807.53414 91718.36933 52922.06699
trimethadione 519.2237226 902.3814943 734.8565554 951.866961 1971.863844 1097.222317 514.3246327 825.76324 607.7053831 3812.13238 1059.899998 1085.474966 2452.182119 555.0769594 293.7829492 449.1028042 1734.709744 525.6995662 193.447291 1259.579269 354.1666007 1155.416512 2099.234774 1033.133692 211.2315981 834.6245063 413.2112463 1473.196985 1167.518715 928.1384201 1337.176022 831.3023079 627.6175706
TxB2 1926.009982 3645.360239 2201.435464 1571.933587 3157.885452 1520.756696 1085.74415 2460.995179 1332.291549 10460.35725 3716.325061 4389.600703 5307.343449 994.091116 1045.082136 521.287925 1586.316881 2493.901912 733.8651469 2904.798333 2091.717742 3568.811101 6233.816742 3788.543533 1380.192295 1791.849906 1217.592785 3132.611545 3945.441047 3116.617737 3325.98063 3072.830842 2347.782744
Uric Acid 976.6142111 1388.250192 531.600959 893.4274141 1888.160237 713.6903714 1037.341114 1812.360476 1247.49958 5619.332579 2594.264897 2573.54405 2024.180572 422.8826774 497.453357 1048.343611 1034.115324 1064.387447 417.4143095 1178.434768 1443.589868 1989.163719 3354.529803 1787.922417 723.6462229 670.0328658 516.1469615 1736.439324 1584.042093 498.8583719 2700.539405 2056.579551 675.21101
Uridine monophosphate 7294.277863 3439.574767 3107.108967 32745.26138 3436.964841 8238.460775 4195.181995 7367.881724 1293.3334 38402.18882 4604.759841 2436.142887 8469.078868 2821.244126 6886.887146 4267.469278 2295.527705 1400.651921 10624.93311 14339.95643 3612.750875 3143.944658 12701.36841 5104.33963 5734.185607 6341.150513 1727.520107 3148.168386 16054.38104 3859.859908 6332.589382 17602.95183 8936.478675
Vitamin C 144737.0219 257829.9257 114848.981 2025.101672 65477.39783 2122.122477 129312.3644 255609.0621 133696.4574 56745.92248 82472.49225 5671.49742 317271.1369 809.8764937 1221.53829 55161.1983 1024.637815 86963.23335 27313.92193 190137.4033 63304.91906 34274.56058 415368.9494 277637.2998 36926.65032 133771.7495 52092.79963 128670.3991 148015.8095 114333.9416 189321.7255 51845.09769 123551.9311
Xanthine 215113.5101 292446.6444 170367.4326 218019.6577 368764.7808 213106.6661 269558.9758 370155.9677 244375.8669 1327304.728 346498.7064 443145.9417 866646.8265 215117.6418 146320.6143 206770.8771 541759.9324 321929.8617 87260.3121 322929.8405 254173.6611 472724.4453 709112.3025 449372.139 125083.0712 237684.8877 150853.2535 318329.1238 414551.2338 204643.4933 520801.7703 262836.7687 203727.2618
α,α-Trehalose 18373.58057 11352.39791 14992.44866 294285.3154 158241.6225 207223.2387 7995.651702 47793.06489 20137.96841 318293.0774 98760.01429 130710.3231 45709.71775 27875.3011 20007.76965 128559.1433 36114.71548 56598.00006 20556.44658 33139.60031 40328.86871 66925.63328 113606.6482 53707.51688 12326.00934 13321.82254 10577.64362 323803.4176 1582844.784 790766.4549 126579.3003 871834.6549 109061.4123
METABOLITES_END
#END