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Analysis: Reversed phase POSITIVE 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-ME431834--4.648212.11839
17beta-Trenbolone17beta-TrenboloneME431895--3.37271.16544
18:1(2S-OH) Ceramide-ME432066--23.501540.53528
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID1-Aminocyclopropanecarboxylic acidME431618--0.918102.05515
1-Dodecyl-2-pyrrolidinone-ME431875--16.651254.2476
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...LPC 17:0/0:0ME432054--15.516510.35526
1H-indole-3-carboxylic acidIndole-3-carboxylic acidME431738--4.581162.05499
1-Methyladenosine1-MethyladenosineME431907--1.235282.1192
1-Methylnicotinamide1-Methyl nicotinamideME431682--0.777137.07088
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0/0:0ME432042--14.622454.293
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...-ME432049--14.243482.32458
1-Stearoyl-sn-glycero-3-phosphocholineLPC 18:0/0:0ME432063--16.442524.37244
2,2'-(Tetradecylimino)diethanol-ME431940--12.926302.30521
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazani...-ME432080--23.824762.60046
2,8-QuinolinediolQuinoline-2,8-diolME431737--5.402162.05489
2,8-Quinolinediol; AIF; CE30; CorrDec-ME431739--4.431162.05505
2-acetoxy-4-pentadecylbenzoic acid2-Acetoxy-4-pentadecyl-benzoic acidME432020--21.136413.2662
2-Acetylpyrazine2-AcetylpyrazineME431641--0.822123.05508
2-Aminoacetophenone2-AminoacetophenoneME431676--6.517136.07556
2-Aminocaprylic acid; AIF; CE10; MS2Dec-ME431733--4.472160.13318
2-Aminocaprylic acid; LC-tDDA; CE30-ME431734--4.439160.13318
2-AminoethanethiolCysteamineME431602--2.90178.0335
2-Benzoxazolinone2-BenzoxazololME431674--2.161136.03894
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE2-Ethyl-3-hydroxy-4H-pyran-4-oneME431688--2.397141.05492
2-Furoylglycine2-FuroylglycineME431757--1.902170.04431
2-Hydroxybenzonitrile2-HydroxybenzonitrileME431633--1.271120.04436
2-Hydroxycinnamic acid, predominantly trans-ME431749--1.087165.05467
2-Hydroxyisobutyric acid2-Hydroxyisobutyric acidME431619--3.085103.03902
2-Hydroxyquinoline2-HydroxyquinolineME431694--2.889146.05933
2-Methylpyrrolidine2-Methyl pyrrolidineME431609--1.03886.09639
2-Naphthylamine2-AminonaphthaleneME431692--8.763144.08037
2-O-Methyladenosine2'-O-MethyladenosineME431909--1.446282.11996
2-OxindoleIndolin-2-oneME431671--4.158134.06004
2-Oxindole; LC-tDDA; CE20Indolin-2-oneME431669--3.583134.05968
2-Oxindole; LC-tDDA; CE30Indolin-2-oneME431670--3.395134.06004
2-PHENYLACETAMIDE2-PhenylacetamideME431677--1.959136.07571
2-Piperidone2-PiperidinoneME431615--4.096100.07559
2-Pyrrolidinone; AIF; CE10; CorrDec2-PyrrolidinoneME431608--1.90886.05981
2-Pyrrolidinone; AIF; CE30; MS2Dec2-PyrrolidinoneME431607--1.23386.05975
2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,...-ME432095--8.5321027.55969
2-((R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,14S,17R)-3,7...-ME432096--9.541031.59033
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14...-ME432094--10.897943.52594
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-o...-ME432030--4.536431.09689
3-Aminophenol; LC-tDDA; CE10-ME431621--2.091110.05999
3-AMINOSALICYLIC ACID3-Aminosalicylic acidME431726--1.249154.0502
3-Formylindole1H-Indole-3-carboxaldehydeME431696--2.606146.05991
3?-Hydroxy-12 Ketolithocholic Acid-ME432006--12.619391.28488
3-HYDROXY-2-METHYL-4-PYRONEMaltolME431649--1.148127.03923
3?-Hydroxy-7 Ketolithocholic Acid-ME432005--10.28391.28418
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME431725--2.163154.04985
3-HYDROXYINDOLEIndoxylME431660--2.527132.04439
3-Ketocholanic AcidDehydrolithocholic acidME431991--12.286375.28925
3-Methyl-L-histidine3-MethylhistidineME431760--0.743170.09236
4,6-Di-tert-butyl-m-cresol-ME431841--11.729219.17422
4-Acetamidobutanoic acid; LC-tDDA; CE304-Acetamidobutanoic acidME431700--1.23146.08107
4-AMINOBENZOIC ACIDp-Aminobenzoic acidME431683--2.079138.05508
4-aminobutyric acid betaine-ME431703--0.851146.11766
4-Aminohippuric acid; AIF; CE30; MS2Dec4-Aminohippuric acidME431807--2.337195.07648
4-aminovaleric acid betaine-ME431735--1.014160.1333
4-Cholesten-3-oneCholestenoneME432000--22.045385.34665
4-(Dimethylamino)phenylthiocyanate-ME431782--4.994179.06364
4-GUANIDINOBUTANOIC ACID4-Guanidinobutanoic acidME431701--1.026146.09253
4-Hexylresorcinol4-HexylresorcinolME431809--2.105195.12282
4-Hydroxy-6-methyl-2-pyrone-ME431648--2.84127.0389
4-Hydroxybenzoylcholine-ME431847--16.552224.12775
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME431810--1.147196.05815
4-Hydroxyquinoline4-HydroxyquinolineME431690--4.579144.04445
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME431691--1.472144.04723
4-Nonylphenol-ME431840--9.497219.17398
4-PYRIDOXIC ACID4-Pyridoxic acidME431790--1.152184.06049
4-QUINOLINECARBOXYLIC ACID4-Quinolinecarboxylic acidME431768--1.175174.05527
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-tri...-ME432086--10.628817.58215
(4R)-4-((3R,5S,6S,7R,8R,9S,10R,12S,13R,17R)-3,6,7,...-ME432091--8.617849.57245
(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-tr...-ME432090--12.152839.56421
(4R)-4-((3S,5S,7S,9S,10S,13R,14S,17R)-3,7-dihydrox...-ME432002--12.58389.26828
5,6-Benzoflavone5,6-BenzoflavoneME431896--7.929273.09067
5-Aminovaleric acid5-Aminopentanoic acidME431632--0.854118.08622
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL-ME432018--12.153409.29434
5-HYDROXYINDOLE5-HydroxyindoleME431672--4.932134.06006
5-HYDROXYINDOLEACETATE5-Hydroxyindoleacetic acidME431802--4.478192.06569
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME431800--1.594192.06528
5-Hydroxyindoleacetic acid; LC-tDDA; CE105-Hydroxyindoleacetic acidME431801--4.613192.06564
5-OHMe-Ur-ME431935--1.133298.11447
5-OXO-D-PROLINE5-Oxo-D-prolineME431653--4.823130.04984
5-OXO-L-PROLINEPyroglutamic acidME431652--4.277130.04979
5-S-Methylthioadenosine; LC-tDDA; CE10-ME431932--2.617298.09647
5-S-Methylthioadenosine; LC-tDDA; CE30-ME431934--2.516298.0968
5-S-Methylthioadenosine; LC-tDDA; CE40-ME431933--2.55298.09662
5-VALEROLACTONE5-ValerolactoneME431617--0.818101.05976
6-Ethoxy-2,3,4-trimethyl-1,2,3,4-tetrahydroquinoli...-ME431843--6.981220.16991
6-(gamma,gamma-Dimethylallylamino)purine riboside-ME431963--5.566336.16653
7-Diethylamino-4-methylcoumarin7-Diethylamino-4-methylcoumarinME431852--25.415232.13281
7-Oxocholesterol7-Oxo-cholesterolME432012--19.384401.3414
8-HydroxyquinolineQuinolin-8-olME431695--2.382146.0598
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-...-ME431979--8.796363.2168
9-OH-Risperidone-ME432027--6.265427.21051
AcetaminophenAcetaminophenME431722--2.091152.07063
ACETYL-CARNITINECAR 2:0ME431824--1.097204.12306
Acetyl tributyl citrateRetinoic acidME432013--17.311403.23318
ACRYLAMIDEAcrylamideME431599--2.01972.04404
AdenineAdenineME431675--0.814136.04836
AdenosineAdenosineME431889--1.084268.10428
Adenosine monophosphate (AMP)AMPME431971--0.854348.06903
Adipoyl-carnitine; LC-tDDA; CE20CAR DC5:0ME431926--1.638290.16006
Adipoyl-carnitine; LC-tDDA; CE30CAR DC5:0ME431924--2.941290.15939
Adipoyl-carnitine; LC-tDDA; CE40CAR DC5:0ME431925--1.9290.15982
Ala-LeuAla-LeuME431822--3.332203.13893
Alanine betaineStachydrineME431666--0.826132.10194
Alanyl-Leucine; AIF; CE10; MS2DecAla-LeuME431820--2.297203.13884
Alliin; LC-tDDA; CE20AlliinME431778--1.311178.05324
Aloe-emodin-ME431894--9.509271.06308
alpha-Hederinalpha-HederinME432078--6.199749.45703
ALPHA-N-ACETYL-GLUTAMINEN-AcetylglutamineME431795--0.868189.08693
alpha-TOCHOPHERYL ACETATE-ME432047--23.985473.39822
AM580-ME431973--17.009352.19064
AmphetamineDextroamphetamineME431679--1.955136.11186
AndrosteroneAndrosteroneME431927--8.333291.23672
Aniline; AIF; CE30; CorrDecAnilineME431613--1.6294.06526
Anthranilic acid2-Aminobenzoic acidME431684--4.48138.05531
Arachidonoyl-carnitine; LC-tDDA; CE20CAR 20:4ME432040--14.677448.34247
Arachidonoyl-carnitine; LC-tDDA; CE40CAR 20:4ME432039--14.743448.34213
AspartateAspartic acidME431668--0.874134.0443
ASP-PHEAsp-PheME431906--3.278281.11288
Assymetrical dimethylarginine-ME431821--0.981203.13892
ATENOLOLAtenololME431887--2.052267.17041
Atenolol acid-ME431890--3.72268.15442
Atrazine-Desisopropyl-ME431766--1.606174.05437
Benzoylcholine-ME431829--5.092208.13324
BenzoylecgonineBenzoyl ecgonineME431923--4.753290.1387
BetaineBetaineME431629--8.929118.08588
Betaine; CE30BetaineME431630--17.43118.08616
BiliverdinBiliverdinME432070--11.037583.25427
BIOTINBiotinME431865--4.363245.09525
BUTANALButanalME431600--4.19673.06444
Butylisopropylamine-ME431628--13.852116.14344
Butyryl-carnitine; AIF; CE10; MS2DecCAR 4:0ME431855--2.286232.1552
Butyryl-carnitine; AIF; CE30; CorrDecCAR 4:0ME431854--2.432232.15437
ButyrylglycineN-ButyrylglycineME431699--1.887146.08073
C10-homoserine lactone-ME431877--3.982256.19086
C18 Dihydroceramide (d18:0/18:0)-ME432069--24.145568.5672
CaffeineCaffeineME431808--3.531195.08791
Ceramide (18:1/16:0)-ME432065--23.341538.51984
Ceratodictyol-ME431962--24.022331.285
CetirizineCetirizineME432001--9.692389.16205
CHOLATECholic acidME431989--10.281373.27377
Cholest-4,6-Dien-3-One4,6-CholestadienoneME431996--21.62383.33105
CholesterolCholesterolME431982--25.806369.35144
Cholic acidCholic acidME432089--11.678834.60962
CholineCholineME431620--16.42104.10638
CINNAMIC ACIDtrans-Cinnamic acidME431715--1.689149.05971
cis-Urocanic acid-ME431686--1.075139.04994
CitalopramCitalopramME431958--8.214325.17072
CodeineCodeineME431936--4.808300.15991
cordycepin-ME431874--1.27252.10858
CORTICOSTERONECorticosteroneME431969--9.368347.22177
CortisoneCortisoneME431978--8.763361.20071
CotinineCotinineME431777--1.067177.10191
CP-642931-ME431967--6.237344.2175
CREATINECreatineME431661--0.967132.07675
CREATININECreatinineME431624--16.616114.06593
CROTONIC ACIDCrotonic acidME431606--8.35485.02856
Crystal violet-ME431985--12.14372.24368
Cyclohexylamine; AIF; CE10; CorrDecCyclohexylamineME431616--1.597100.11168
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME431833--5.227211.14406
CYS-GLYCys-GlyME431781--0.867179.04851
CysteineCysteineME431639--5.243122.02667
CysteinylglycineCys-GlyME431780--1.101179.04845
CytosineCytosineME431622--1.053112.05029
DaidzeinDaidzeinME431876--7.067255.06512
Decaethylene glycolDecaethylene glycolME432048--5.354481.2616
DECANOYLCARNITINECAR 10:0ME431950--10.437316.24777
Decanoyl-L-CarnitineCAR 10:0ME431951--10.5316.24823
Decanoyl-L-carnitine D3-ME431957--10.433319.26776
DEETN,N-Diethyl-m-toluamideME431804--9.696192.13821
DEOXYCARNITINE3-DehydroxycarnitineME431704--0.961146.11781
DEOXYCHOLATEDeoxycholic acidME431974--12.284357.27863
deoxycholic acidDeoxycholic acidME431992--11.78375.28995
deoxycommendamide (putative) or in source fragment...-ME431948--15.926312.25256
Deoxykhivorin-ME432072--17.682593.27618
DEP_178.1226_15.3-ME431779--29.124178.12254
D-(+)-GlucosamineGlucosamineME431784--1.755180.08791
DiazepamDiazepamME431912--10.801285.07864
DibutylphthalateDibutyl phthalateME431902--28.935279.15894
Dibutyl phthalateDibutyl phthalateME431903--21.131279.15903
DIBUTYL SEBACATE-ME431949--12.269315.25333
Dicoumaroyl Spermidine-ME432034--5.33438.23444
DicyclohexylamineN,N-DicyclohexylamineME431788--6.043182.19029
Dicyclohexylurea-ME431848--10.567225.19623
Diethyl-phthalateDiethyl phthalateME431844--9.971223.09642
Diferuloyl putrescine-ME432035--7.438441.20255
DihydrosphingosineSphinganineME431941--13.912302.30524
Diisobutyl phthalateDiisobutyl phthalateME431900--21.644279.1586
Dimethyl sulfoxideDimethyl sulfoxideME431603--1.01779.02099
Dimethyl??sulfoxideDimethyl sulfoxideME431604--0.90179.0212
dimethyl(tetradecyl)amine-ME431861--13.499242.28413
Di-n-butyl phthalateDibutyl phthalateME431901--22.367279.15869
Dioctyl PhthalateDioctyl phthalateME432003--28.854391.284
DiosgeninDiosgeninME432022--17.73415.32135
DiphenylamineDiphenylamineME431761--12.716170.09698
Diphenylphosphine oxide-ME431818--7.719203.06174
DL-Norleucine-ME431664--0.943132.10173
DodeDecanoyl-L-carnitine D3-ME431970--12.245347.29837
D-ribo-PhytosphingosinePhytosphingosineME431952--8.811318.30038
D-sphingosineSphingosineME431937--13.596300.28979
Ecgonine-methyl-ester (EME)-ME431815--6.231200.12831
EnterodiolEnterodiolME431939--15.643301.14099
EpigallocatechinEpigallocatechinME431944--0.855307.08389
Erucamide13Z-DocosenamideME431964--19.118338.34158
Ethyl 3-(N-butylacetamido)propionate-ME431836--8.996216.15926
ExemestaneExemestaneME431956--3.723319.16525
FADFADME432081--3.176786.16498
Fenpropimorph-ME431943--12.672304.26382
FERULATEtrans-Ferulic acidME431775--9.255177.05432
Flavin??adenine??dinucleotideFADME432082--3.25786.16559
Flavone base + 3O, O-HexA-ME432037--5.472447.09088
FluvoxamineFluvoxamineME431955--4.056319.16507
Folic acidFolic acidME432036--3.048442.14325
GabapentinGabapentinME431763--3.212172.1333
Gabapentin-lactam-ME431727--7.048154.12296
GAMMA-CAPROLACTONEgamma-CaprolactoneME431625--1.181115.075
Gamma-glutamylcysteinegamma-GlutamylcysteineME431872--0.868251.06914
gamma-Glutamylleucinegamma-GlutamylleucineME431881--3.002261.14429
GenisteinGenisteinME431893--8.264271.06061
Gentisyl alcoholGentisyl alcoholME431687--2.917141.05467
GlutamateGlutamic acidME431712--4.805148.0603
GLUTAMIC ACIDGlutamic acidME431713--0.942148.06038
Glutamic acid gamma methyl esterGlutamic acid gamma-methyl esterME431740--1.059162.07616
GlutamineGlutamineME431707--5.44147.07622
Glutamine; AIF; CE10; CorrDecGlutamineME431709--6.724147.07642
Glutamine; LC-tDDA; CE40GlutamineME431708--4.218147.07623
Glutamylphenylalanine (isomer of 1503)Glu-PheME431930--3.507295.12924
Glutaryl-carnitine; AIF; CE30; MS2DecCAR DC5:0ME431898--1.405276.14423
GlutathioneGlutathioneME431945--1.098308.09106
Glutathione oxidizedGlutathioneME432074--1.105613.15948
GLYCEROL-MYRISTATEMG 14:0ME431914--23.418285.24243
GlyciteinGlyciteinME431911--7.334285.0755
GLYCOCHENODEOXYCHOLIC ACIDGlycochenodeoxycholic acidME432038--9.673448.30597
GLYCOCHOLATEGlycocholic acidME432050--10.369488.29868
Glycohyocholic acidGlycohyocholic acidME432046--10.372466.31573
Glycohyodeoxycholic acidGlycohyodeoxycholic acidME432041--12.174450.32056
Glycyl-L-prolineGly-ProME431765--3.911173.0925
Glycyl-proline; LC-tDDA; CE20Gly-ProME431764--1.005173.09225
Gly-LeuGly-LeuME431796--2.319189.12334
GuanineGuanineME431721--0.849152.05663
GuanosineGuanosineME431910--1.089284.09897
h_60_epimethendiol-ME431892--17.902269.22635
Hexanoyl-carnitine; AIF; CE30; CorrDecCAR 6:0ME431880--5.246260.18558
HEXANOYLGLYCINEHexanoylglycineME431771--5.481174.11249
Hexanoyl-L-CarnitineCAR 6:0ME431879--5.022260.18539
Hippuric acidHippuric acidME431783--3.726180.06577
Hirsuteine-ME431981--18.154367.2019
HistidineHistidineME431728--0.705156.0768
HomoserineHomoserineME431634--0.93120.06577
Homostachydrine(S)-HomostachydrineME431731--0.873158.11794
HP-921; CE30; DDA; WAVNXLRSYAMQNY-UHFFFAOYSA-N-ME432093--0.522922.00977
hyocholic acidHyocholic acidME432088--11.612817.58264
HypoxanthineHypoxanthineME431680--2.141137.04564
Indole-3-acetyl-L-alanine-ME431869--6.016247.10741
Indole-3-carbinolIndole-3-carbinolME431655--6.41130.0652
Indole-3-carboxyaldehyde1H-Indole-3-carboxaldehydeME431697--5.855146.06001
INDOLE-3-ETHANOLTryptophanolME431741--6.481162.09181
INDOLEACETIC ACIDIndoleacetic acidME431774--4.962176.07037
IndolineIndolineME431635--6.598120.08055
INOSINEInosineME431891--1.103269.08798
Isobutyryl-carnitine; LC-tDDA; CE10CAR 4:0ME431853--2.397232.15431
IsoleucineIsoleucineME431663--1.611132.10172
Isotalatizidine-ME432015--7.394408.27451
IS_PHENYLALANINE-2,3,4,5,6-D5-ME431762--1.65171.11771
IS_TRYPTOPHAN-2,4,5,6,7-D5-ME431832--2.546210.12865
Kynurenic acidKynurenic acidME431798--3.552190.04976
KYNURENINEKynurenineME431830--1.594209.09241
LactamideLactamideME431612--1.01990.05515
LACTULOSELactuloseME431977--1.001360.15027
L(+)-ArginineArginineME431772--0.702175.11897
Lauramidopropyl betaineLauramidopropyl betaineME431966--11.449343.29581
LAUROYLCARNITINECAR 12:0ME431968--12.192344.27924
Lauryl diethanolamideLauroyl diethanolamideME431921--12.968288.25293
LauryldiethanolamineN-LauryldiethanolamineME431897--11.315274.27405
Lauryldimethylamine Oxide-ME431851--12.083230.24799
L-beta-Homoleucine-ME431702--2.96146.1176
L-CarnitineCarnitineME431742--0.95162.11224
lenticinLenticinME431871--3.279247.14407
L-(+)-ErgothioneineErgothioneineME431849--0.837230.09622
LeucineLeucineME431662--4.751132.10164
Leucine_Enkephalin-ME432068--6.585556.27631
Leucyl-leucine; LC-tDDA; CE10Leu-LeuME431866--3.899245.1861
L-GlutamineGlutamineME431706--4.277147.07622
L-HistidineHistidineME431729--1.057156.0768
LID_235.1805_10.1-ME431857--4.667235.1801
Lidocaine-N-Oxide-ME431873--3.741251.17567
?-linolenic acidOctadecatrienoic acidME431904--11.06279.23181
Linoleyl-carnitine; AIF; CE30; CorrDecCAR 18:2ME432023--14.653424.34189
Linoleyl-carnitine; LC-tDDA; CE20CAR 18:2ME432024--14.564424.34216
L-IsoleucineIsoleucineME431665--1.855132.10175
L-MethionineMethionineME431717--1.081150.05821
LoliolideLoliolideME431813--6.044197.11716
L-OrnithineOrnithineME431667--0.698133.09712
LPC 16:0LPC 16:0ME432051--14.681496.34033
LPC 18:1LPC 18:1ME432061--15.625522.3559
LPC 18:2LPC 18:2ME432060--14.824520.34015
LPC 18:3LPC 18:3ME432059--14.013518.32397
L-Pipecolic acidPipecolic acidME431658--1.045130.08643
LUMICHROMELumichromeME431862--6.158243.08789
LYSINELysineME431711--0.694147.11279
LysoPC(0:0/18:0)LPC 0:0/18:0ME432062--16.777524.37109
MAG-ME431994--18.29379.28159
MaltolMaltolME431647--1.535127.03869
maltotrioseMaltotrioseME432064--0.779527.1571
Mefenamic acidMefenamic acidME431859--1.595240.10188
MethionineMethionineME431718--3.137150.0587
Methylhippuric acidMethylhippuric acidME431805--4.449194.08101
Methyl-hippuric acid; LC-tDDA; CE20-ME431806--4.867194.08116
Methylimidazoleacetic acid; LC-tDDA; CE40Methylimidazoleacetic acidME431689--0.825141.06586
Methyl Salicylate-ME431720--2.748151.03894
Methyl trans-styryl ketone-ME431710--14.207147.08043
MethyltyrosinateMethyl tyrosinateME431811--1.957196.09662
MMV688990-ME432016--14.65408.32425
Mono-iso-butyl phthalateMonoisobutyl phthalateME431845--15.627223.09642
monooleinMG 18:1ME431976--18.13357.29965
Morphine_3_GlucuronideMorphine-3-glucuronideME432045--4.872462.17654
Myristamidopropyl betaineMyristamidopropyl betaineME431983--13.104371.32654
Myristoyl-carnitine; AIF; CE10; MS2DecCAR 14:0ME431987--13.736372.3111
Myristoyl-carnitine; LC-tDDA; CE30CAR 14:0ME431986--13.605372.31064
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enam...-ME432075--25.125630.6192
N-(1,3-dihydroxyoctadec-4-en-2-yl)tetradecanamide-ME432055--22.598510.48724
N1-ACETYLSPERMINEN1-AcetylspermineME431867--0.715245.23381
N1-Methyl-4-pyridone-3-carboxamide; AIF; CE10; Cor...N1-Methyl-4-pyridone-3-carboxamideME431724--1.115153.06596
N-(2,4-Dimethylphenyl)formamide-ME431719--2.857150.08534
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME431947--1.738312.1304
N-[3-(Dimethylamino)propyl]dodecanamide-ME431915--11.278285.28976
N6-(DELTA2-ISOPENTENYL)-ADENINEN6-IsopentenyladenineME431825--4.549204.12486
N6-MethyladenosineN6-MethyladenosineME431908--0.942282.11923
N6-Succinyladenosine; AIF; CE30; MS2DecSuccinyladenosineME431997--1.253384.11462
N6-ThreonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME432019--3.148413.14148
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME431838--4.68219.11281
N-ACETYL-ASPARTIC ACIDN-Acetylaspartic acidME431773--0.875176.05511
N-Acetyl-cysteine; LC-tDDA; CE20N-AcetylcysteineME431745--3.819164.03761
N-Acetyl-cysteine; LC-tDDA; CE30N-AcetylcysteineME431744--3.744164.03754
N-Acetyl-cysteine; LC-tDDA; CE40N-AcetylcysteineME431746--5.245164.0378
N-AcetylcytidineN4-AcetylcytidineME431916--1.373286.10318
N-ACETYLGALACTOSAMINEN-Acetyl-D-galactosamineME431863--0.853244.07951
N-Acetylglutamic acidN-Acetylglutamic acidME431799--0.906190.0712
N-Acetyl-leucine; LC-tDDA; CE10N-AcetylleucineME431769--4.777174.11232
N-Acetyl-leucine; LC-tDDA; CE20N-AcetylleucineME431770--5.05174.11235
N-AcetylmethionineN-AcetylmethionineME431803--3.143192.0686
N-ACETYLMURAMIC ACIDN-Acetylmuramic acidME431928--0.93294.11856
N-AcetylphenylalanineN-AcetylphenylalanineME431828--5.458208.09662
N-ACETYLPUTRESCINEN-AcetylputrescineME431659--0.817131.11784
N-ACETYLTRYPTOPHANN-Acetyl-tryptophanME431870--5.702247.10754
N-Acetyl-tyrosine; LC-tDDA; CE30N-AcetyltyrosineME431846--2.906224.09184
N-C18:0 PhytoceramideCer 18:0;O3/18:0ME432071--23.465584.56158
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethy...-ME431819--6.605203.11775
NCGC00169296-02!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-...-ME432043--4.654461.10739
NCGC00332267-02!N-(2-phenylethyl)acetamide-ME431748--6.251164.10701
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...-ME432014--18.946404.31586
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)oc...-ME431905--12.256279.23221
NCGC00384987-01_C12H15NO4_N-Acetyl-O-methyltyrosin...-ME431858--5.591238.10774
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta...-ME432017--4.686409.18317
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic ac...-ME431965--6.674343.22281
NCGC00385353-01!(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-...-ME432031--4.486431.09738
NCGC00385536-01!(2E,4E)-N-(1,3-dihydroxy-3-methylp...-ME431882--3.3264.15961
N-(CINNAMOYL)GLYCINECinnamoylglycineME431827--6.081206.08104
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME431797--0.712189.15956
N-Fructosyl isoleucine-ME431929--1.228294.15482
NICOTINAMIDENiacinamideME431642--1.083123.05553
NICOTINATENicotinic acidME431644--1.082124.03922
NicotineNicotineME431743--1.089163.12291
Nicotinic acidNicotinic acidME431645--0.929124.03932
N-IsovalerylglycineIsovalerylglycineME431732--3.626160.09659
N-lauroylethanolamineLauroyl-EAME431864--13.2244.22714
N-Methyldodecylamine-ME431816--11.689200.23671
N-METHYLNICOTINAMIDEN-MethylnicotinamideME431673--2.901135.05534
N,N-Dimethyldecylamine-ME431794--8.146186.22208
N,N-Dimethyldecylamine oxide-ME431817--9.566202.21686
N,N-Dimethyldodecylamine-ME431835--12.013214.25233
N,N-Dimethyldodecylamine N-oxideN,N-Dimethyldodecylamine N-oxideME431850--11.392230.24782
N,N-Dimethylguanosine; LC-tDDA; CE40N2,N2-DimethylguanosineME431946--1.679312.13034
N-(n-octyl)-2-pyrrolidinone-ME431814--12.563198.18506
Nonaethylene glycolNonaethylene glycolME432033--4.996437.23502
NorethindroneNorethindroneME431931--3.688297.18112
Norharmanbeta-CarbolineME431756--4.192169.07614
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME431759--2.656170.09218
O6-MeG-ME431750--1.011166.07248
Octaethylene glycolOctaethylene glycolME432007--29.12393.20883
OCTANOYLCARNITINECAR 8:0ME431920--7.603288.21671
Octenoyl-carnitine; LC-tDDA; CE10CAR 8:1ME431918--7.283286.20163
Octenoyl-carnitine; LC-tDDA; CE30CAR 8:1ME431919--7.054286.20261
Oleoyl EthanolamideOleoyl-EAME431959--17.294326.30576
Oleoyl-L-CarnitineCAR 18:1ME432026--15.34426.35776
oroxindinOroxindinME432044--4.705461.10773
ortho-Chlorophenylpiperazine-ME431812--5.46197.08382
Ortophosphate-ME431614--0.90598.98399
PalmitoylcarnitineCAR 16:0ME432009--14.904400.34213
Palmitoyl-carnitine; AIF; CE30; CorrDecCAR 16:0ME432011--15.04400.34271
Palmitoylcarnitine cation-ME432010--14.972400.34262
Pantethine-ME432067--5.31555.25238
PANTOTHENATEPantothenic acidME431860--2.035242.10022
PANTOTHENIC ACIDPantothenic acidME431842--2.046220.11836
ParaxanthineParaxanthineME431785--2.41181.07193
ParoxetineParoxetineME431960--9.008330.14917
PC(16:0/0:0)LPC 16:0/0:0ME432052--14.934496.34064
PC(16:0/18:1(9Z))PC 16:0/18:1(9Z)ME432079--23.268760.58545
PC 17:0-20:3-d5_ISTD-ME432084--29.171802.6308
p-Coumaraldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME431716--7.353149.0598
Petiline-ME432021--8.954414.33609
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME431885--4.218265.11563
PHENYLACETYL-GLUTAMINEalpha-N-PhenylacetylglutamineME431886--4.277265.11575
PhenylalaninePhenylalanineME431751--7.834166.08595
PHENYLETHANOLAMINE2-HydroxyphenethylamineME431636--1.689120.08121
PhenylethylaminePhenylethylamineME431640--2.421122.09621
Phosphorylcholine; LC-tDDA; CE30Choline phosphateME431792--0.954184.07362
Phosphorylcholine; LC-tDDA; CE40Choline phosphateME431791--0.797184.07333
Phthalic acidPhthalic acidME431714--24.166149.02284
PhytosphingosinePhytosphingosineME431953--13.092318.30078
Phytosphingosine (not validated, isomer of 1696)-ME431954--11.448318.30084
Picolinic acidPicolinic acidME431643--2.9124.03916
PilocarpinePilocarpineME431831--2.856209.12846
Pipecolic acidPipecolic acidME431657--0.701130.08614
PiperinePiperineME431917--11.79286.14374
Pirimicarb-desamido-ME431754--3.621168.11339
P-OCTOPAMINEOctopamineME431678--1.085136.07597
Prolinamide-ME431626--0.697115.08648
PROLINEProlineME431627--0.698116.07027
Proline betaineProline betaineME431693--0.852144.10185
PROPIONYLCARNITINECAR 3:0ME431837--1.234218.13872
PURINEPurineME431638--2.859121.05087
Purine; CE30; DDA; KDCGOANMDULRCW-UHFFFAOYSA-NPurineME431637--4.545121.05087
PutrescinePutrescineME431610--0.6789.10717
PyridinePyridineME431605--1.11180.04887
PyridoxalPyridoxalME431752--2.268168.06551
PyridoxinePyridoxineME431758--1.098170.08125
PYROGLUTAMATEPyroglutamic acidME431654--1.311130.05003
PYROGLUTAMIC ACIDPyroglutamic acidME431651--4.217130.04979
QuetiapineQuetiapineME431998--7.61384.17404
Quinaldic acidQuinaldic acidME431767--4.61174.05467
Quinoline; LC-tDDA; CE30QuinolineME431656--5.031130.06522
Quinolone2-HydroxyquinolineME431698--4.613146.06046
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME432087--10.279817.58264
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...-ME431990--12.622373.27393
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,...-ME432004--10.629391.28409
(R)-4-((3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12...-ME431988--11.611373.27359
(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydr...-ME432085--13.727807.57422
(R)-4-((5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3...-ME432083--12.576799.51215
RIBOFLAVINRiboflavinME431993--4.15377.14584
(R)-(-)-Phenylephrine-ME431753--1.064168.10184
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME431999--1.047385.12845
Sarcosine; AIF; CE10; MS2DecSarcosineME431611--0.94590.0549
SerotoninSerotoninME431776--1.895177.10153
SerylleucineSer-LeuME431839--1.801219.13426
S-Methyl-methionine; LC-tDDA; CE20-ME431747--0.71164.07364
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME431878--1.043258.10861
SPERMIDINESpermidineME431705--0.683146.16528
SPERMINESpermineME431823--0.698203.22299
SPHINGANINESphinganineME431942--13.849302.30527
Sphinganine (C17 base)C17 SphinganineME431922--13.158288.2894
SPHINGOMYELINSM 18:1;O2/18:0ME432077--22.424731.60626
SphingosineSphingosineME431938--13.466300.29004
Stearoyl-carnitine; LC-tDDA; CE20CAR 18:0ME432028--16.105428.37344
Stearoyl-L-CarnitineCAR 18:0ME432029--16.296428.37396
StercobilinL-UrobilinME432073--8.093595.34875
TAG(50:1)TG 50:1ME432092--25.623850.78613
Taurine; AIF; CE10; CorrDecTaurineME431646--0.979126.02214
Taurocholic acidTaurocholic acidME432057--9.591516.29895
TaurodeoxycholateTaurodeoxycholic acidME432053--11.302500.30371
?-Tauromuricholic acidTauromuricholic acidME432056--8.255516.29865
TAUROURSODEOXYCHOLIC ACIDTauroursodeoxycholic acidME432058--11.302517.3299
TheobromineTheobromineME431786--1.717181.07207
THIAMINEThiamineME431884--29.153265.11118
ThioninThioninME431681--2.809137.04587
ThymineThymineME431650--1.419127.05026
TIGLYL GLYCINETiglylglycineME431730--2.947158.08102
TramadolTramadolME431883--5.546264.19586
TrazodoneTrazodoneME431984--7.003372.15881
TREHALOSETrehaloseME431980--0.787365.10553
Tri(butoxyethyl) phosphateTri(butoxyethyl)phosphateME432008--15.739399.25079
TributylamineTributylamineME431793--7.447186.2215
TricinTricinME431961--8.481331.08154
Triethyl phosphateTriethyl phosphateME431789--7.052183.07803
TRIMETHYLAMINETrimethylamineME431598--3.27860.08071
TRIMETHYLAMINE N-OXIDETrimethylamine N-oxideME431601--0.81476.0753
Tri-N-butyl phosphateTributyl phosphateME431888--14.839267.17218
Triphenylphosphine oxide-ME431899--10.784279.09323
TryptamineTryptamineME431736--3.327161.10718
TryptophanTryptophanME431826--2.606205.09738
TyramineTyramineME431685--1.068138.09161
TyrosineTyrosineME431787--3.453182.08076
URACILUracilME431623--0.908113.03458
Uric acidUric acidME431755--0.853169.0354
URSOCHOLIC ACIDUrsocholic acidME432025--11.675426.32166
URSODEOXYCHOLATEUrsodeoxycholic acidME431975--13.727357.27908
Valeryl-carnitine; AIF; CE30; CorrDecCAR 5:0ME431868--3.964246.16994
ValineValineME431631--3.269118.08617
ValsartanValsartanME432032--3.355434.21747
VoacamineVoacamineME432076--15.321703.38629
WalleminoneWalleminoneME431856--5.027235.16957
XanthineXanthineME431723--1.118153.0405
XANTHOSINEXanthosineME431913--1.094285.08325
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphe...-ME431995--7.043381.18109
(Z)-9,12,13-trihydroxyoctadec-15-enoic acid-ME431972--10.02348.27481


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