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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-Diphenylguanidine-ME433164--4.648212.11839
17beta-Trenbolone17beta-TrenboloneME433225--3.37271.16544
18:1(2S-OH) Ceramide-ME433396--23.501540.53528
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID1-Aminocyclopropanecarboxylic acidME432948--0.918102.05515
1-Dodecyl-2-pyrrolidinone-ME433205--16.651254.2476
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...LPC 17:0/0:0ME433384--15.516510.35526
1H-indole-3-carboxylic acidIndole-3-carboxylic acidME433068--4.581162.05499
1-Methyladenosine1-MethyladenosineME433237--1.235282.1192
1-Methylnicotinamide1-Methyl nicotinamideME433012--0.777137.07088
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0/0:0ME433372--14.622454.293
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...-ME433379--14.243482.32458
1-Stearoyl-sn-glycero-3-phosphocholineLPC 18:0/0:0ME433393--16.442524.37244
2,2'-(Tetradecylimino)diethanol-ME433270--12.926302.30521
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazani...-ME433410--23.824762.60046
2,8-QuinolinediolQuinoline-2,8-diolME433067--5.402162.05489
2,8-Quinolinediol; AIF; CE30; CorrDec-ME433069--4.431162.05505
2-acetoxy-4-pentadecylbenzoic acid2-Acetoxy-4-pentadecyl-benzoic acidME433350--21.136413.2662
2-Acetylpyrazine2-AcetylpyrazineME432971--0.822123.05508
2-Aminoacetophenone2-AminoacetophenoneME433006--6.517136.07556
2-Aminocaprylic acid; AIF; CE10; MS2Dec-ME433063--4.472160.13318
2-Aminocaprylic acid; LC-tDDA; CE30-ME433064--4.439160.13318
2-AminoethanethiolCysteamineME432932--2.90178.0335
2-Benzoxazolinone2-BenzoxazololME433004--2.161136.03894
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE2-Ethyl-3-hydroxy-4H-pyran-4-oneME433018--2.397141.05492
2-Furoylglycine2-FuroylglycineME433087--1.902170.04431
2-Hydroxybenzonitrile2-HydroxybenzonitrileME432963--1.271120.04436
2-Hydroxycinnamic acid, predominantly trans-ME433079--1.087165.05467
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME432949--3.085103.03902
2-Hydroxyquinoline2-HydroxyquinolineME433024--2.889146.05933
2-Methylpyrrolidine2-Methyl pyrrolidineME432939--1.03886.09639
2-Naphthylamine2-AminonaphthaleneME433022--8.763144.08037
2-O-Methyladenosine2'-O-MethyladenosineME433239--1.446282.11996
2-OxindoleIndolin-2-oneME433001--4.158134.06004
2-Oxindole; LC-tDDA; CE20Indolin-2-oneME432999--3.583134.05968
2-Oxindole; LC-tDDA; CE30Indolin-2-oneME433000--3.395134.06004
2-PHENYLACETAMIDE2-PhenylacetamideME433007--1.959136.07571
2-Piperidone2-PiperidinoneME432945--4.096100.07559
2-Pyrrolidinone; AIF; CE10; CorrDec2-PyrrolidinoneME432938--1.90886.05981
2-Pyrrolidinone; AIF; CE30; MS2Dec2-PyrrolidinoneME432937--1.23386.05975
2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,...-ME433425--8.5321027.55969
2-((R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7...-ME433426--9.541031.59033
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14...-ME433424--10.897943.52594
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-o...-ME433360--4.536431.09689
3-Aminophenol; LC-tDDA; CE10-ME432951--2.091110.05999
3-AMINOSALICYLIC ACID3-Aminosalicylic acidME433056--1.249154.0502
3-Formylindole1H-Indole-3-carboxaldehydeME433026--2.606146.05991
3?-Hydroxy-12 Ketolithocholic Acid-ME433336--12.619391.28488
3-HYDROXY-2-METHYL-4-PYRONEMaltolME432979--1.148127.03923
3?-Hydroxy-7 Ketolithocholic Acid-ME433335--10.28391.28418
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME433055--2.163154.04985
3-HYDROXYINDOLEIndoxylME432990--2.527132.04439
3-Ketocholanic AcidDehydrolithocholic acidME433321--12.286375.28925
3-Methyl-L-histidine3-MethylhistidineME433090--0.743170.09236
4,6-Di-tert-butyl-m-cresol-ME433171--11.729219.17422
4-Acetamidobutanoic acid; LC-tDDA; CE304-Acetamidobutanoic acidME433030--1.23146.08107
4-AMINOBENZOIC ACIDp-Aminobenzoic acidME433013--2.079138.05508
4-aminobutyric acid betaine-ME433033--0.851146.11766
4-Aminohippuric acid; AIF; CE30; MS2Dec4-Aminohippuric acidME433137--2.337195.07648
4-aminovaleric acid betaine-ME433065--1.014160.1333
4-Cholesten-3-oneCholestenoneME433330--22.045385.34665
4-(Dimethylamino)phenylthiocyanate-ME433112--4.994179.06364
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME433031--1.026146.09253
4-Hexylresorcinol4-HexylresorcinolME433139--2.105195.12282
4-Hydroxy-6-methyl-2-pyrone-ME432978--2.84127.0389
4-Hydroxybenzoylcholine-ME433177--16.552224.12775
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME433140--1.147196.05815
4-Hydroxyquinoline4-HydroxyquinolineME433020--4.579144.04445
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME433021--1.472144.04723
4-Nonylphenol-ME433170--9.497219.17398
4-PYRIDOXIC ACID4-Pyridoxic acidME433120--1.152184.06049
4-QUINOLINECARBOXYLIC ACID4-Quinolinecarboxylic acidME433098--1.175174.05527
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-tri...-ME433416--10.628817.58215
(4R)-4-((3R,5S,6S,7R,8R,9S,10R,12S,13R,17R)-3,6,7,...-ME433421--8.617849.57245
(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-tr...-ME433420--12.152839.56421
(4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydrox...-ME433332--12.58389.26828
5,6-Benzoflavone5,6-BenzoflavoneME433226--7.929273.09067
5-Aminovaleric acid5-Aminopentanoic acidME432962--0.854118.08622
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL-ME433348--12.153409.29434
5-HYDROXYINDOLE5-HydroxyindoleME433002--4.932134.06006
5-HYDROXYINDOLEACETATE5-Hydroxyindoleacetic acidME433132--4.478192.06569
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME433130--1.594192.06528
5-Hydroxyindoleacetic acid; LC-tDDA; CE105-Hydroxyindoleacetic acidME433131--4.613192.06564
5-OHMe-Ur-ME433265--1.133298.11447
5-OXO-D-PROLINE5-Oxo-D-prolineME432983--4.823130.04984
5-OXO-L-PROLINEPyroglutamic acidME432982--4.277130.04979
5-S-Methylthioadenosine; LC-tDDA; CE10-ME433262--2.617298.09647
5-S-Methylthioadenosine; LC-tDDA; CE30-ME433264--2.516298.0968
5-S-Methylthioadenosine; LC-tDDA; CE40-ME433263--2.55298.09662
5-VALEROLACTONE5-ValerolactoneME432947--0.818101.05976
6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoli...-ME433173--6.981220.16991
6-(gamma,gamma-Dimethylallylamino)purine riboside-ME433293--5.566336.16653
7-Diethylamino-4-methylcoumarin7-Diethylamino-4-methylcoumarinME433182--25.415232.13281
7-Oxocholesterol7-Oxo-cholesterolME433342--19.384401.3414
8-HydroxyquinolineQuinolin-8-olME433025--2.382146.0598
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-...-ME433309--8.796363.2168
9-OH-Risperidone-ME433357--6.265427.21051
AcetaminophenAcetaminophenME433052--2.091152.07063
ACETYL-CARNITINECAR 2:0ME433154--1.097204.12306
Acetyl tributyl citrateRetinoic acidME433343--17.311403.23318
ACRYLAMIDEAcrylamideME432929--2.01972.04404
AdenineAdenineME433005--0.814136.04836
AdenosineAdenosineME433219--1.084268.10428
Adenosine monophosphate (AMP)AMPME433301--0.854348.06903
Adipoyl-carnitine; LC-tDDA; CE20CAR DC5:0ME433256--1.638290.16006
Adipoyl-carnitine; LC-tDDA; CE30CAR DC5:0ME433254--2.941290.15939
Adipoyl-carnitine; LC-tDDA; CE40CAR DC5:0ME433255--1.9290.15982
Ala-LeuAla-LeuME433152--3.332203.13893
Alanine betaineStachydrineME432996--0.826132.10194
Alanyl-Leucine; AIF; CE10; MS2DecAla-LeuME433150--2.297203.13884
Alliin; LC-tDDA; CE20AlliinME433108--1.311178.05324
Aloe-emodin-ME433224--9.509271.06308
alpha-Hederinalpha-HederinME433408--6.199749.45703
ALPHA-N-ACETYL-GLUTAMINEN-AcetylglutamineME433125--0.868189.08693
alpha-TOCHOPHERYL ACETATE-ME433377--23.985473.39822
AM580-ME433303--17.009352.19064
AmphetamineDextroamphetamineME433009--1.955136.11186
AndrosteroneAndrosteroneME433257--8.333291.23672
Aniline; AIF; CE30; CorrDecAnilineME432943--1.6294.06526
Anthranilic acid2-Aminobenzoic acidME433014--4.48138.05531
Arachidonoyl-carnitine; LC-tDDA; CE20CAR 20:4ME433370--14.677448.34247
Arachidonoyl-carnitine; LC-tDDA; CE40CAR 20:4ME433369--14.743448.34213
AspartateAspartic acidME432998--0.874134.0443
ASP-PHEAsp-PheME433236--3.278281.11288
Assymetrical dimethylarginine-ME433151--0.981203.13892
ATENOLOLAtenololME433217--2.052267.17041
Atenolol acid-ME433220--3.72268.15442
Atrazine-Desisopropyl-ME433096--1.606174.05437
Benzoylcholine-ME433159--5.092208.13324
BenzoylecgonineBenzoyl ecgonineME433253--4.753290.1387
BetaineBetaineME432959--8.929118.08588
Betaine; CE30BetaineME432960--17.43118.08616
BiliverdinBiliverdinME433400--11.037583.25427
BIOTINBiotinME433195--4.363245.09525
BUTANALButanalME432930--4.19673.06444
Butylisopropylamine-ME432958--13.852116.14344
Butyryl-carnitine; AIF; CE10; MS2DecCAR 4:0ME433185--2.286232.1552
Butyryl-carnitine; AIF; CE30; CorrDecCAR 4:0ME433184--2.432232.15437
ButyrylglycineN-ButyrylglycineME433029--1.887146.08073
C10-homoserine lactone-ME433207--3.982256.19086
C18 Dihydroceramide (d18:0/18:0)-ME433399--24.145568.5672
CaffeineCaffeineME433138--3.531195.08791
Ceramide (18:1/16:0)-ME433395--23.341538.51984
Ceratodictyol-ME433292--24.022331.285
CetirizineCetirizineME433331--9.692389.16205
CHOLATECholic acidME433319--10.281373.27377
Cholest-4,6-Dien-3-One4,6-CholestadienoneME433326--21.62383.33105
CholesterolCholesterolME433312--25.806369.35144
Cholic acidCholic acidME433419--11.678834.60962
CholineCholineME432950--16.42104.10638
CINNAMIC ACIDtrans-Cinnamic acidME433045--1.689149.05971
cis-Urocanic acid-ME433016--1.075139.04994
CitalopramCitalopramME433288--8.214325.17072
CodeineCodeineME433266--4.808300.15991
cordycepin-ME433204--1.27252.10858
CORTICOSTERONECorticosteroneME433299--9.368347.22177
CortisoneCortisoneME433308--8.763361.20071
CotinineCotinineME433107--1.067177.10191
CP-642931-ME433297--6.237344.2175
CREATINECreatineME432991--0.967132.07675
CREATININECreatinineME432954--16.616114.06593
CROTONIC ACIDCrotonic acidME432936--8.35485.02856
Crystal violet-ME433315--12.14372.24368
Cyclohexylamine; AIF; CE10; CorrDecCyclohexylamineME432946--1.597100.11168
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME433163--5.227211.14406
CYS-GLYCys-GlyME433111--0.867179.04851
CysteineCysteineME432969--5.243122.02667
CysteinylglycineCys-GlyME433110--1.101179.04845
CytosineCytosineME432952--1.053112.05029
DaidzeinDaidzeinME433206--7.067255.06512
Decaethylene glycolDecaethylene glycolME433378--5.354481.2616
DECANOYLCARNITINECAR 10:0ME433280--10.437316.24777
Decanoyl-L-CarnitineCAR 10:0ME433281--10.5316.24823
Decanoyl-L-carnitine D3-ME433287--10.433319.26776
DEETN,N-Diethyl-m-toluamideME433134--9.696192.13821
DEOXYCARNITINE3-DehydroxycarnitineME433034--0.961146.11781
DEOXYCHOLATEDeoxycholic acidME433304--12.284357.27863
deoxycholic acidDeoxycholic acidME433322--11.78375.28995
deoxycommendamide (putative) or in source fragment...-ME433278--15.926312.25256
Deoxykhivorin-ME433402--17.682593.27618
DEP_178.1226_15.3-ME433109--29.124178.12254
D-(+)-GlucosamineGlucosamineME433114--1.755180.08791
DiazepamDiazepamME433242--10.801285.07864
DibutylphthalateDibutyl phthalateME433232--28.935279.15894
Dibutyl phthalateDibutyl phthalateME433233--21.131279.15903
DIBUTYL SEBACATE-ME433279--12.269315.25333
Dicoumaroyl Spermidine-ME433364--5.33438.23444
DicyclohexylamineN,N-DicyclohexylamineME433118--6.043182.19029
Dicyclohexylurea-ME433178--10.567225.19623
Diethyl-phthalateDiethyl phthalateME433174--9.971223.09642
Diferuloyl putrescine-ME433365--7.438441.20255
DihydrosphingosineSphinganineME433271--13.912302.30524
Diisobutyl phthalateDiisobutyl phthalateME433230--21.644279.1586
Dimethyl sulfoxideDimethyl sulfoxideME432933--1.01779.02099
Dimethyl??sulfoxideDimethyl sulfoxideME432934--0.90179.0212
dimethyl(tetradecyl)amine-ME433191--13.499242.28413
Di-n-butyl phthalateDibutyl phthalateME433231--22.367279.15869
Dioctyl PhthalateDioctyl phthalateME433333--28.854391.284
DiosgeninDiosgeninME433352--17.73415.32135
DiphenylamineDiphenylamineME433091--12.716170.09698
Diphenylphosphine oxide-ME433148--7.719203.06174
DL-Norleucine-ME432994--0.943132.10173
DodeDecanoyl-L-carnitine D3-ME433300--12.245347.29837
D-ribo-PhytosphingosinePhytosphingosineME433282--8.811318.30038
D-sphingosineSphingosineME433267--13.596300.28979
Ecgonine-methyl-ester (EME)-ME433145--6.231200.12831
EnterodiolEnterodiolME433269--15.643301.14099
EpigallocatechinEpigallocatechinME433274--0.855307.08389
Erucamide13Z-DocosenamideME433294--19.118338.34158
Ethyl 3-(N-butylacetamido)propionate-ME433166--8.996216.15926
ExemestaneExemestaneME433286--3.723319.16525
FADFADME433411--3.176786.16498
Fenpropimorph-ME433273--12.672304.26382
FERULATEtrans-Ferulic acidME433105--9.255177.05432
Flavin??adenine??dinucleotideFADME433412--3.25786.16559
Flavone base + 3O, O-HexA-ME433367--5.472447.09088
FluvoxamineFluvoxamineME433285--4.056319.16507
Folic acidFolic acidME433366--3.048442.14325
GabapentinGabapentinME433093--3.212172.1333
Gabapentin-lactam-ME433057--7.048154.12296
GAMMA-CAPROLACTONEgamma-CaprolactoneME432955--1.181115.075
Gamma-glutamylcysteinegamma-GlutamylcysteineME433202--0.868251.06914
gamma-Glutamylleucinegamma-GlutamylleucineME433211--3.002261.14429
GenisteinGenisteinME433223--8.264271.06061
Gentisyl alcoholGentisyl alcoholME433017--2.917141.05467
GlutamateGlutamic acidME433042--4.805148.0603
GLUTAMIC ACIDGlutamic acidME433043--0.942148.06038
Glutamic acid gamma methyl esterGlutamic acid gamma-methyl esterME433070--1.059162.07616
GlutamineGlutamineME433037--5.44147.07622
Glutamine; AIF; CE10; CorrDecGlutamineME433039--6.724147.07642
Glutamine; LC-tDDA; CE40GlutamineME433038--4.218147.07623
Glutamylphenylalanine (isomer of 1503)Glu-PheME433260--3.507295.12924
Glutaryl-carnitine; AIF; CE30; MS2DecCAR DC5:0ME433228--1.405276.14423
GlutathioneGlutathioneME433275--1.098308.09106
Glutathione oxidizedGlutathioneME433404--1.105613.15948
GLYCEROL-MYRISTATEMG 14:0ME433244--23.418285.24243
GlyciteinGlyciteinME433241--7.334285.0755
GLYCOCHENODEOXYCHOLIC ACIDGlycochenodeoxycholic acidME433368--9.673448.30597
GLYCOCHOLATEGlycocholic acidME433380--10.369488.29868
Glycohyocholic acidGlycohyocholic acidME433376--10.372466.31573
Glycohyodeoxycholic acidGlycohyodeoxycholic acidME433371--12.174450.32056
Glycyl-L-prolineGly-ProME433095--3.911173.0925
Glycyl-proline; LC-tDDA; CE20Gly-ProME433094--1.005173.09225
Gly-LeuGly-LeuME433126--2.319189.12334
GuanineGuanineME433051--0.849152.05663
GuanosineGuanosineME433240--1.089284.09897
h_60_epimethendiol-ME433222--17.902269.22635
Hexanoyl-carnitine; AIF; CE30; CorrDecCAR 6:0ME433210--5.246260.18558
HEXANOYLGLYCINEHexanoylglycineME433101--5.481174.11249
Hexanoyl-L-CarnitineCAR 6:0ME433209--5.022260.18539
Hippuric acidHippuric acidME433113--3.726180.06577
Hirsuteine-ME433311--18.154367.2019
HistidineHistidineME433058--0.705156.0768
HomoserineHomoserineME432964--0.93120.06577
Homostachydrine(S)-HomostachydrineME433061--0.873158.11794
HP-921; CE30; DDA; WAVNXLRSYAMQNY-UHFFFAOYSA-N-ME433423--0.522922.00977
hyocholic acidHyocholic acidME433418--11.612817.58264
HypoxanthineHypoxanthineME433010--2.141137.04564
Indole-3-acetyl-L-alanine-ME433199--6.016247.10741
Indole-3-carbinolIndole-3-carbinolME432985--6.41130.0652
Indole-3-carboxyaldehyde1H-Indole-3-carboxaldehydeME433027--5.855146.06001
INDOLE-3-ETHANOLTryptophanolME433071--6.481162.09181
INDOLEACETIC ACIDIndoleacetic acidME433104--4.962176.07037
IndolineIndolineME432965--6.598120.08055
INOSINEInosineME433221--1.103269.08798
Isobutyryl-carnitine; LC-tDDA; CE10CAR 4:0ME433183--2.397232.15431
IsoleucineIsoleucineME432993--1.611132.10172
Isotalatizidine-ME433345--7.394408.27451
IS_PHENYLALANINE-2,3,4,5,6-D5-ME433092--1.65171.11771
IS_TRYPTOPHAN-2,4,5,6,7-D5-ME433162--2.546210.12865
Kynurenic acidKynurenic acidME433128--3.552190.04976
KYNURENINEKynurenineME433160--1.594209.09241
LactamideLactamideME432942--1.01990.05515
LACTULOSELactuloseME433307--1.001360.15027
L(+)-ArginineArginineME433102--0.702175.11897
Lauramidopropyl betaineLauramidopropyl betaineME433296--11.449343.29581
LAUROYLCARNITINECAR 12:0ME433298--12.192344.27924
Lauryl diethanolamideLauroyl diethanolamideME433251--12.968288.25293
LauryldiethanolamineN-LauryldiethanolamineME433227--11.315274.27405
Lauryldimethylamine Oxide-ME433181--12.083230.24799
L-beta-Homoleucine-ME433032--2.96146.1176
L-CarnitineCarnitineME433072--0.95162.11224
lenticinLenticinME433201--3.279247.14407
L-(+)-ErgothioneineErgothioneineME433179--0.837230.09622
LeucineLeucineME432992--4.751132.10164
Leucine_Enkephalin-ME433398--6.585556.27631
Leucyl-leucine; LC-tDDA; CE10Leu-LeuME433196--3.899245.1861
L-GlutamineGlutamineME433036--4.277147.07622
L-HistidineHistidineME433059--1.057156.0768
LID_235.1805_10.1-ME433187--4.667235.1801
Lidocaine-N-Oxide-ME433203--3.741251.17567
?-linolenic acidOctadecatrienoic acidME433234--11.06279.23181
Linoleyl-carnitine; AIF; CE30; CorrDecCAR 18:2ME433353--14.653424.34189
Linoleyl-carnitine; LC-tDDA; CE20CAR 18:2ME433354--14.564424.34216
L-IsoleucineIsoleucineME432995--1.855132.10175
L-MethionineMethionineME433047--1.081150.05821
LoliolideLoliolideME433143--6.044197.11716
L-OrnithineOrnithineME432997--0.698133.09712
LPC 16:0LPC 16:0ME433381--14.681496.34033
LPC 18:1LPC 18:1ME433391--15.625522.3559
LPC 18:2LPC 18:2ME433390--14.824520.34015
LPC 18:3LPC 18:3ME433389--14.013518.32397
L-Pipecolic acidPipecolic acidME432988--1.045130.08643
LUMICHROMELumichromeME433192--6.158243.08789
LYSINELysineME433041--0.694147.11279
LysoPC(0:0/18:0)LPC 0:0/18:0ME433392--16.777524.37109
MAG-ME433324--18.29379.28159
MaltolMaltolME432977--1.535127.03869
maltotrioseMaltotrioseME433394--0.779527.1571
Mefenamic acidMefenamic acidME433189--1.595240.10188
MethionineMethionineME433048--3.137150.0587
Methylhippuric acidMethylhippuric acidME433135--4.449194.08101
Methyl-hippuric acid; LC-tDDA; CE20-ME433136--4.867194.08116
Methylimidazoleacetic acid; LC-tDDA; CE40Methylimidazoleacetic acidME433019--0.825141.06586
Methyl Salicylate-ME433050--2.748151.03894
Methyl trans-styryl ketone-ME433040--14.207147.08043
MethyltyrosinateMethyl tyrosinateME433141--1.957196.09662
MMV688990-ME433346--14.65408.32425
Mono-iso-butyl phthalateMonoisobutyl phthalateME433175--15.627223.09642
monooleinMG 18:1ME433306--18.13357.29965
Morphine_3_GlucuronideMorphine-3-glucuronideME433375--4.872462.17654
Myristamidopropyl betaineMyristamidopropyl betaineME433313--13.104371.32654
Myristoyl-carnitine; AIF; CE10; MS2DecCAR 14:0ME433317--13.736372.3111
Myristoyl-carnitine; LC-tDDA; CE30CAR 14:0ME433316--13.605372.31064
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enam...-ME433405--25.125630.6192
N-(1,3-dihydroxyoctadec-4-en-2-yl)tetradecanamide-ME433385--22.598510.48724
N1-ACETYLSPERMINEN1-AcetylspermineME433197--0.715245.23381
N1-Methyl-4-pyridone-3-carboxamide; AIF; CE10; Cor...N1-Methyl-4-pyridone-3-carboxamideME433054--1.115153.06596
N-(2,4-Dimethylphenyl)formamide-ME433049--2.857150.08534
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME433277--1.738312.1304
N-[3-(Dimethylamino)propyl]dodecanamide-ME433245--11.278285.28976
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME433155--4.549204.12486
N6-MethyladenosineN6-MethyladenosineME433238--0.942282.11923
N6-Succinyladenosine; AIF; CE30; MS2DecSuccinyladenosineME433327--1.253384.11462
N6-ThreonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME433349--3.148413.14148
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME433168--4.68219.11281
N-ACETYL-ASPARTIC ACIDN-Acetylaspartic acidME433103--0.875176.05511
N-Acetyl-cysteine; LC-tDDA; CE20N-AcetylcysteineME433075--3.819164.03761
N-Acetyl-cysteine; LC-tDDA; CE30N-AcetylcysteineME433074--3.744164.03754
N-Acetyl-cysteine; LC-tDDA; CE40N-AcetylcysteineME433076--5.245164.0378
N-AcetylcytidineN4-AcetylcytidineME433246--1.373286.10318
N-ACETYLGALACTOSAMINEN-Acetyl-D-galactosamineME433193--0.853244.07951
N-Acetylglutamic acidN-Acetylglutamic acidME433129--0.906190.0712
N-Acetyl-leucine; LC-tDDA; CE10N-AcetylleucineME433099--4.777174.11232
N-Acetyl-leucine; LC-tDDA; CE20N-AcetylleucineME433100--5.05174.11235
N-AcetylmethionineN-AcetylmethionineME433133--3.143192.0686
N-ACETYLMURAMIC ACIDN-Acetylmuramic acidME433258--0.93294.11856
N-AcetylphenylalanineN-AcetylphenylalanineME433158--5.458208.09662
N-ACETYLPUTRESCINEN-AcetylputrescineME432989--0.817131.11784
N-ACETYLTRYPTOPHANN-Acetyl-tryptophanME433200--5.702247.10754
N-Acetyl-tyrosine; LC-tDDA; CE30N-AcetyltyrosineME433176--2.906224.09184
N-C18:0 PhytoceramideCer 18:0;O3/18:0ME433401--23.465584.56158
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethy...-ME433149--6.605203.11775
NCGC00169296-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-...-ME433373--4.654461.10739
NCGC00332267-02!N-(2-phenylethyl)acetamide-ME433078--6.251164.10701
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...-ME433344--18.946404.31586
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)oc...-ME433235--12.256279.23221
NCGC00384987-01_C12H15NO4_N-Acetyl-O-methyltyrosin...-ME433188--5.591238.10774
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta...-ME433347--4.686409.18317
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic ac...-ME433295--6.674343.22281
NCGC00385353-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-...-ME433361--4.486431.09738
NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylp...-ME433212--3.3264.15961
N-(CINNAMOYL)GLYCINECinnamoylglycineME433157--6.081206.08104
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME433127--0.712189.15956
N-Fructosyl isoleucine-ME433259--1.228294.15482
NICOTINAMIDENiacinamideME432972--1.083123.05553
NICOTINATENicotinic acidME432974--1.082124.03922
NicotineNicotineME433073--1.089163.12291
Nicotinic acidNicotinic acidME432975--0.929124.03932
N-IsovalerylglycineIsovalerylglycineME433062--3.626160.09659
N-lauroylethanolamineLauroyl-EAME433194--13.2244.22714
N-Methyldodecylamine-ME433146--11.689200.23671
N-METHYLNICOTINAMIDEN-MethylnicotinamideME433003--2.901135.05534
N,N-Dimethyldecylamine-ME433124--8.146186.22208
N,N-Dimethyldecylamine oxide-ME433147--9.566202.21686
N,N-Dimethyldodecylamine-ME433165--12.013214.25233
N,N-Dimethyldodecylamine N-oxideN,N-Dimethyldodecylamine N-oxideME433180--11.392230.24782
N,N-Dimethylguanosine; LC-tDDA; CE40N2,N2-DimethylguanosineME433276--1.679312.13034
N-(n-octyl)-2-pyrrolidinone-ME433144--12.563198.18506
Nonaethylene glycolNonaethylene glycolME433363--4.996437.23502
NorethindroneNorethindroneME433261--3.688297.18112
Norharmanbeta-CarbolineME433086--4.192169.07614
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME433089--2.656170.09218
O6-MeG-ME433080--1.011166.07248
Octaethylene glycolOctaethylene glycolME433337--29.12393.20883
OCTANOYLCARNITINECAR 8:0ME433250--7.603288.21671
Octenoyl-carnitine; LC-tDDA; CE10CAR 8:1ME433248--7.283286.20163
Octenoyl-carnitine; LC-tDDA; CE30CAR 8:1ME433249--7.054286.20261
Oleoyl EthanolamideOleoyl-EAME433289--17.294326.30576
Oleoyl-L-CarnitineCAR 18:1ME433356--15.34426.35776
oroxindinOroxindinME433374--4.705461.10773
ortho-Chlorophenylpiperazine-ME433142--5.46197.08382
Ortophosphate-ME432944--0.90598.98399
PalmitoylcarnitineCAR 16:0ME433339--14.904400.34213
Palmitoyl-carnitine; AIF; CE30; CorrDecCAR 16:0ME433341--15.04400.34271
Palmitoylcarnitine cation-ME433340--14.972400.34262
Pantethine-ME433397--5.31555.25238
PANTOTHENATEPantothenic acidME433190--2.035242.10022
PANTOTHENIC ACIDPantothenic acidME433172--2.046220.11836
ParaxanthineParaxanthineME433115--2.41181.07193
ParoxetineParoxetineME433290--9.008330.14917
PC(16:0/0:0)LPC 16:0/0:0ME433382--14.934496.34064
PC(16:0/18:1(9Z))PC 16:0/18:1(9Z)ME433409--23.268760.58545
PC 17:0-20:3-d5_ISTD-ME433414--29.171802.6308
p-Coumaraldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME433046--7.353149.0598
Petiline-ME433351--8.954414.33609
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME433215--4.218265.11563
PHENYLACETYL-GLUTAMINEalpha-N-PhenylacetylglutamineME433216--4.277265.11575
PhenylalaninePhenylalanineME433081--7.834166.08595
PHENYLETHANOLAMINE2-HydroxyphenethylamineME432966--1.689120.08121
PhenylethylaminePhenylethylamineME432970--2.421122.09621
Phosphorylcholine; LC-tDDA; CE30Choline phosphateME433122--0.954184.07362
Phosphorylcholine; LC-tDDA; CE40Choline phosphateME433121--0.797184.07333
Phthalic acidPhthalic acidME433044--24.166149.02284
PhytosphingosinePhytosphingosineME433283--13.092318.30078
Phytosphingosine (not validated, isomer of 1696)-ME433284--11.448318.30084
Picolinic acidPicolinic acidME432973--2.9124.03916
PilocarpinePilocarpineME433161--2.856209.12846
Pipecolic acidPipecolic acidME432987--0.701130.08614
PiperinePiperineME433247--11.79286.14374
Pirimicarb-desamido-ME433084--3.621168.11339
P-OCTOPAMINEOctopamineME433008--1.085136.07597
Prolinamide-ME432956--0.697115.08648
PROLINEProlineME432957--0.698116.07027
Proline betaineProline betaineME433023--0.852144.10185
PROPIONYLCARNITINECAR 3:0ME433167--1.234218.13872
PURINEPurineME432968--2.859121.05087
Purine; CE30; DDA; KDCGOANMDULRCW-UHFFFAOYSA-NPurineME432967--4.545121.05087
PutrescinePutrescineME432940--0.6789.10717
PyridinePyridineME432935--1.11180.04887
PyridoxalPyridoxalME433082--2.268168.06551
PyridoxinePyridoxineME433088--1.098170.08125
PYROGLUTAMATEPyroglutamic acidME432984--1.311130.05003
PYROGLUTAMIC ACIDPyroglutamic acidME432981--4.217130.04979
QuetiapineQuetiapineME433328--7.61384.17404
Quinaldic acidQuinaldic acidME433097--4.61174.05467
Quinoline; LC-tDDA; CE30QuinolineME432986--5.031130.06522
Quinolone2-HydroxyquinolineME433028--4.613146.06046
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME433417--10.279817.58264
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...-ME433320--12.622373.27393
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,...-ME433334--10.629391.28409
(R)-4-((3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12...-ME433318--11.611373.27359
(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydr...-ME433415--13.727807.57422
(R)-4-((5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3...-ME433413--12.576799.51215
RIBOFLAVINRiboflavinME433323--4.15377.14584
(R)-(-)-Phenylephrine-ME433083--1.064168.10184
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME433329--1.047385.12845
Sarcosine; AIF; CE10; MS2DecSarcosineME432941--0.94590.0549
SerotoninSerotoninME433106--1.895177.10153
SerylleucineSer-LeuME433169--1.801219.13426
S-Methyl-methionine; LC-tDDA; CE20-ME433077--0.71164.07364
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME433208--1.043258.10861
SPERMIDINESpermidineME433035--0.683146.16528
SPERMINESpermineME433153--0.698203.22299
SPHINGANINESphinganineME433272--13.849302.30527
Sphinganine (C17 base)C17 SphinganineME433252--13.158288.2894
SPHINGOMYELINSM 18:1;O2/18:0ME433407--22.424731.60626
SphingosineSphingosineME433268--13.466300.29004
Stearoyl-carnitine; LC-tDDA; CE20CAR 18:0ME433358--16.105428.37344
Stearoyl-L-CarnitineCAR 18:0ME433359--16.296428.37396
StercobilinL-UrobilinME433403--8.093595.34875
TAG(50:1)TG 50:1ME433422--25.623850.78613
Taurine; AIF; CE10; CorrDecTaurineME432976--0.979126.02214
Taurocholic acidTaurocholic acidME433387--9.591516.29895
TaurodeoxycholateTaurodeoxycholic acidME433383--11.302500.30371
?-Tauromuricholic acidTauromuricholic acidME433386--8.255516.29865
TAUROURSODEOXYCHOLIC ACIDTauroursodeoxycholic acidME433388--11.302517.3299
TheobromineTheobromineME433116--1.717181.07207
THIAMINEThiamineME433214--29.153265.11118
ThioninThioninME433011--2.809137.04587
ThymineThymineME432980--1.419127.05026
TIGLYL GLYCINETiglylglycineME433060--2.947158.08102
TramadolTramadolME433213--5.546264.19586
TrazodoneTrazodoneME433314--7.003372.15881
TREHALOSETrehaloseME433310--0.787365.10553
Tri(butoxyethyl) phosphateTri(butoxyethyl)phosphateME433338--15.739399.25079
TributylamineTributylamineME433123--7.447186.2215
TricinTricinME433291--8.481331.08154
Triethyl phosphateTriethyl phosphateME433119--7.052183.07803
TRIMETHYLAMINETrimethylamineME432928--3.27860.08071
TRIMETHYLAMINE N-OXIDETrimethylamine N-oxideME432931--0.81476.0753
Tri-N-butyl phosphateTributyl phosphateME433218--14.839267.17218
Triphenylphosphine oxide-ME433229--10.784279.09323
TryptamineTryptamineME433066--3.327161.10718
TryptophanTryptophanME433156--2.606205.09738
TyramineTyramineME433015--1.068138.09161
TyrosineTyrosineME433117--3.453182.08076
URACILUracilME432953--0.908113.03458
Uric acidUric acidME433085--0.853169.0354
URSOCHOLIC ACIDUrsocholic acidME433355--11.675426.32166
URSODEOXYCHOLATEUrsodeoxycholic acidME433305--13.727357.27908
Valeryl-carnitine; AIF; CE30; CorrDecCAR 5:0ME433198--3.964246.16994
ValineValineME432961--3.269118.08617
ValsartanValsartanME433362--3.355434.21747
VoacamineVoacamineME433406--15.321703.38629
WalleminoneWalleminoneME433186--5.027235.16957
XanthineXanthineME433053--1.118153.0405
XANTHOSINEXanthosineME433243--1.094285.08325
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphe...-ME433325--7.043381.18109
(Z)-9,12,13-trihydroxyoctadec-15-enoic acid-ME433302--10.02348.27481


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