Return to study ST001875 main page

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
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME432340--8.679153.12411
12(13)-EpOME-[d4]-ME432644--13.241299.25864
13-OxoODE13-Oxo-ODEME432632--14.694295.22461
1,4-Chrysenequinone1,4-ChrysenequinoneME432538--1.983258.06815
1-(4-Methoxyphenyl)-1-pentene-3-one-ME432430--5.166191.10413
1,5-Naphthalenediamine1,5-NaphthalenediamineME432344--2.609159.09084
1,6-ANHYDRO-B-GLUCOSEGlucosanME432360--0.897163.06133
17beta-Trenbolone17beta-TrenboloneME432567--3.204271.16553
1,7-Dimethyluric acid1,7-Dimethyluric acidME432446--2.023197.06367
17-Methyltestosterone17-MethyltestosteroneME432653--15.089303.23044
18:1(2S-OH) Ceramide-ME432887--23.301540.5304
1-Dodecyl-2-pyrrolidinone-ME432535--20.176254.24777
1-heptadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...LPC 17:0/0:0ME432874--15.144510.35324
1H-indole-3-carboxylic acidIndole-3-carboxylic acidME432356--4.408162.0542
1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine-ME432835--11.56440.27762
1-METHYLNICOTINAMIDE1-Methyl nicotinamideME432289--0.789137.06778
1-Methylxanthine1-MethylxanthineME432372--1.29167.05367
1-OLEOYL-RAC-GLYCEROLMG 18:1ME432728--17.997357.29965
1-palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0/0:0ME432846--14.182454.29089
1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphochol...-ME432863--13.586482.32065
1-Stearoyl-sn-glycero-3-phosphocholineLPC 18:0/0:0ME432883--18.487524.36816
2',2'-Difluoro-2'-deoxyuridine-ME432550--5.876265.06824
2,2'-(Tetradecylimino)diethanol-ME432652--12.543302.30328
[2,3-di(heptadecanoyloxy)propyl] 2-(trimethylazani...-ME432908--23.604762.59827
2-(3-Hydroxycyclohexyl)-5-(2-methyl-2-octanyl)phen...-ME432680--10.532317.24734
2,4,6-Trimethylpyridine2,4,6-TrimethylpyridineME432242--23.4122.09402
2-((4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-...-ME432859--7.836480.2767
2-((4R)-4-((3R,5S,7R,9S,10S,13R,14R,17R)-3,7,14-tr...-ME432927--9.0981031.59033
2-((4R)-4-((3R,5S,9S,10S,13R,14S,17R)-3-hydroxy-10...-ME432868--7.839498.28802
2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihy...-ME432876--8.108514.28326
2,6-di-tert-Butylphenol2,6-Ditert-butylphenolME432469--14.679207.17245
2,6-Xylidine2,6-DimethylanilineME432243--28.882122.09538
2,8-QuinolinediolQuinoline-2,8-diolME432355--3.384162.05397
2,8-Quinolinediol; AIF; CE10; CorrDec-ME432354--2.937162.05298
2-acetoxy-4-pentadecylbenzoic acid2-Acetoxy-4-pentadecyl-benzoic acidME432809--21.416413.26376
2-Acetylpyrazine2-AcetylpyrazineME432245--0.813123.05442
2-Aminoacetophenone2-AminoacetophenoneME432284--1.593136.07458
2-Aminobenzoic acid2-Aminobenzoic acidME432292--4.31138.05428
2-Aminocaprylic acid; LC-tDDA; CE20-ME432349--8.112160.13184
2-AminoethanethiolCysteamineME432198--2.79278.03445
2-Benzoxazolinone2-BenzoxazololME432281--2.123136.04071
2-Deoxyadenosine; LC-tDDA; CE10DeoxyadenosineME432530--1.065252.10825
2-ETHYL-3-HYDROXY-4H-PYRAN-4-ONE2-Ethyl-3-hydroxy-4H-pyran-4-oneME432297--2.241141.05272
2-Hydroxybenzonitrile2-HydroxybenzonitrileME432234--4.295120.04359
2-Hydroxychalcone2-HydroxychalconeME432488--4.169225.08954
2-HYDROXYPYRIDINE2-HydroxypyridineME432210--1.06896.04169
2-Hydroxyquinoline2-HydroxyquinolineME432309--4.883146.05943
2-methoxy-4-pentadecylbenzoic acid2-Methoxy-4-pentadecyl-benzoic acidME432733--15.786363.2916
2-Methylindole2-MethylindoleME432271--2.5132.07909
2-Methylpyrrolidine2-Methyl pyrrolidineME432204--4.5586.09578
2-Naphthalenol2-NaphtholME432305--7.038145.06305
2-Naphthylamine2-AminonaphthaleneME432302--2.506144.07925
2-Oxindole; LC-tDDA; CE10Indolin-2-oneME432276--3.286134.0593
2-Oxindole; LC-tDDA; CE20Indolin-2-oneME432275--3.378134.0591
2-Oxindole; LC-tDDA; CE40Indolin-2-oneME432277--3.434134.05931
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid2-Oxindole-3-acetateME432432--4.386192.06497
2-PHENYLACETAMIDE2-PhenylacetamideME432285--3.749136.07512
2-Phenylglycine [M+H-NH2]+; AIF; CE0; MS2Dec2-PhenylglycineME432279--4.272135.0423
2-Phenylglycine [M+H-NH2]+; AIF; CE10; MS2Dec2-PhenylglycineME432278--5.5135.04213
2-Piperidone2-PiperidinoneME432212--1.787100.07547
2-Pyrrolidinone; AIF; CE10; CorrDec2-PyrrolidinoneME432203--1.23386.05934
2-QUINOLINECARBOXYLIC ACIDQuinaldic acidME432383--4.385174.05469
2-((R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dih...-ME432871--10.488500.30496
(2S,3S,4S,5R,6R)-6-(((3R,5R,7R,8R,9S,10S,12S,13R,1...-ME432894--9.416585.32416
(2S,3S,4S,5R,6R)-6-(((3R,5R,8R,9S,10S,12S,13R,14S,...-ME432890--11.579569.33136
(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8aR,9R,12aS,14...-ME432926--10.474943.5235
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-o...-ME432826--3.467431.09448
3,4-Dihydroxy-L-phenylalanineDOPAME432451--1.069198.07549
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]...-ME432563--4.349269.17413
3-Aminophenol; LC-tDDA; CE10-ME432219--2.012110.05898
3'-Dephosphocoenzyme A3'-Dephospho-CoAME432902--1.639688.15802
3-Formylindole1H-Indole-3-carboxaldehydeME432308--2.626146.0594
3?-Hydroxy-12 Ketolithocholic Acid-ME432778--12.264391.28137
3-HYDROXY-2-METHYL-4-PYRONEMaltolME432255--1.509127.03883
3?-Hydroxy-7 Ketolithocholic Acid-ME432780--11.259391.2822
3-HYDROXYBENZOIC ACID3-Hydroxybenzoic acidME432294--3.03139.03728
3-Indoleacrylic acid [M+H-H2O]+; AIF: CE0; MS2DecIndoleacrylic acidME432376--5.716170.05847
3-Ketocholanic AcidDehydrolithocholic acidME432754--11.476375.2861
3-METHYL-2-OXOBUTANOIC ACIDKetoisovaleric acidME432226--2.635117.0539
3-METHYLHISTAMINE3-MethylhistamineME432252--0.707126.10323
3-Methylhistidine3-MethylhistidineME432378--0.733170.09171
(3R,5R,7R,8S,9S,10S,12S,13R,14S,17R)-17-((R)-7-hyd...-ME432817--10.575417.33569
(3S,8S,9S,10R,13R,14S,17R)-17-((2R)-7-hydroxy-6-me...-ME432772--16.89385.34641
4-(2,5-Diethoxy-4-nitrophenyl)morpholine-ME432635--3.271297.14365
4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-...-ME432475--10.637213.18213
4,4'-Sulfonyldiphenol4,4'-SulfonyldiphenolME432528--6.237251.03751
4,6-Di-tert-butyl-m-cresol-ME432481--12.545219.17166
4-Acetamidobutyric acid4-Acetamidobutanoic acidME432311--1.211146.08243
4-ACETAMIDOPHENOLAcetaminophenME432336--2.012152.06992
4-AMINOBENZOIC ACIDp-Aminobenzoic acidME432290--2.04138.05286
4-AMINOBUTANOIC ACIDgamma-Aminobutyric acidME432215--0.817104.07005
4-Aminohippuric acid; AIF; CE0; MS2Dec4-Aminohippuric acidME432440--2.275195.07681
4-Androstene-3,17-dioneAndrostenedioneME432610--8.513287.20108
4-Cholesten-3-oneCholestenoneME432771--21.775385.34485
4-(Dimethylamino)phenylthiocyanate-ME432398--4.759179.06458
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME432312--0.977146.0923
4-Hexyloxyaniline-ME432438--3.999194.15266
4-Hexylresorcinol4-HexylresorcinolME432442--1.893195.12224
4-Hydroxy-6-methyl-2-pyrone-ME432253--2.692127.03822
4-hydroxybenzaldehyde4-HydroxybenzaldehydeME432239--13.953121.03165
4-Hydroxybenzoylcholine-ME432487--29.023224.12755
4-Hydroxyhippuric acid4-Hydroxyhippuric acidME432444--2.379196.05923
4-HYDROXYPHENYL ACETIC ACID4-Hydroxyphenylacetic acidME432338--5.52153.05246
4-Hydroxyquinoline4-HydroxyquinolineME432300--2.927144.04347
4-Methoxyanilinep-AnisidineME432248--1.122124.07616
4-Methyl-5-thiazoleethanol5-(2-Hydroxyethyl)-4-methylthiazoleME432301--0.843144.04517
4-Methylcoumarin4-MethylcoumarinME432351--6.031161.05949
4-Methylpyrimidine4-MethylpyrimidineME432209--0.80895.06022
4-Nonylphenol-ME432482--9.36219.17412
4-OHE2-1-N7Gua-ME432833--4.449438.21371
4-Pyridoxic acid4-Pyridoxic acidME432412--1.137184.05885
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME432384--1.158174.0554
(4R)-3-methylidene-4-[(E)-3-methyl-4-(4-methyl-5-o...-ME432609--3.752287.10068
(4R)-4-((1R,3S,5S,7R,9S,10S,13R,14S,17R)-1,3,7-tri...-ME432781--9.878391.28235
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,14S,17R)-3,6,7...-ME432802--10.491407.27649
(4R)-4-((3R,5R,6S,7R,9S,10R,12S,13R,17R)-3,6,7,12-...-ME432777--9.292389.26822
(4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-tri...-ME432784--10.224391.28455
(4R)-4-((3R,5R,6S,7S,9S,10R,13R,17R)-3,6,7-trihydr...-ME432917--9.704817.58118
(4R)-4-((3R,5S,7S,8R,9S,10S,12R,13R,17R)-3,7,12-tr...-ME432919--10.22839.56122
(4R)-4-((3R,5S,7S,9S,10S,12S,13R,14S,17R)-3,7,12-t...-ME432783--13.127391.28433
(4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13...-ME432785--10.836391.28516
(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13...-ME432724--13.127355.26328
(4S,4aR,8aS)-4-[(3R)-3-hydroxy-3-methylpent-4-enyl...-ME432659--17.956305.24692
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-ph...ScoparoneME432489--4.817225.10893
5,6-Benzoflavone5,6-BenzoflavoneME432570--7.818273.09042
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME432341--1.622154.04825
5-Aminovaleric acid betaineN,N,N-trimethyl-5-aminovalerateME432350--0.835160.13307
5?-CHOLANIC ACID-3?_ 6?_7?-TRIOL-ME432805--10.775409.29178
5?-CHOLANIC ACID-3?-OL-6_7-DIONE-ME432800--8.193405.26132
5-Cholesten-3-beta-7-alpha-diol7alpha-Hydroxy-cholesterolME432798--14.794403.35867
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,...-ME432898--6.328609.18414
5-hydroxyculmorin5-HydroxyculmorinME432505--12.604237.18332
5-HYDROXYINDOLE5-HydroxyindoleME432269--3.443132.04341
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME432431--3.043192.06444
5-Hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME432433--3.093192.06531
5-methoxyindole-3-carbaldehyde-ME432390--1.177176.06647
5-Methylcytosine5-MethylcytosineME432251--0.839126.05625
5-OHMe-Ur-ME432640--1.25298.11118
5-OXO-D-PROLINE5-Oxo-D-prolineME432260--3.752130.04895
5-S-Methylthioadenosine; LC-tDDA; CE30-ME432638--2.537298.09668
5-VALEROLACTONE5-ValerolactoneME432213--0.803101.06001
6-Acetyl-1,1,2,4,4,7-hexamethyltetralin-ME432542--16.852259.20599
6-beta-Hydroxycortisol6beta-HydroxycortisolME432759--4.142379.21103
[6]-GingerolGingerolME432630--12.498295.18726
6-methoxyquinoline6-MethoxyquinolineME432345--1.201160.07265
6-Methylflavonol-ME432531--7.669253.08607
6-Quinolinol-ME432306--3.062146.05829
(6R)-2-(hydroxymethyl)-6-((3R,5R,7R,8R,9S,10S,12S,...-ME432867--10.571497.2933
7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl...-ME432897--5.903609.17932
7,8-dimethylalloxazine (lumichrome)LumichromeME432513--5.87243.08673
7-Diethylamino-4-methylcoumarin7-Diethylamino-4-methylcoumarinME432497--9.52232.13109
7-Hydroxymitragynine7-HydroxymitragynineME432814--6.138415.22345
7-Methylguanine; LC-tDDA; CE207-MethylguanineME432369--0.901166.07037
7-Oxocholesterol7-Oxo-cholesterolME432796--19.436401.33701
8-[3-oxo-2-[(E)-pent-2-enyl]cyclopenten-1-yl]octan...-ME432625--9.1293.21164
8-HydroxyquinolineQuinolin-8-olME432310--2.346146.05948
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-...-ME432732--7.369363.21371
9(10)-EpOME-[d4]-ME432643--16.426299.25833
9-HODE9-HODEME432631--11.174295.22427
9-HOTrE9-HOTrEME432624--10.397293.20917
AcacetinAcacetinME432599--10.287285.07855
Acenapthylene-ME432334--10.771152.06131
AcetaminophenAcetaminophenME432335--1.259152.06821
Acetaminophen glucuronidep-AcetamidophenylglucuronideME432693--1.254328.10147
AcetylcarnitineCAR 2:0ME432461--1.058204.12032
Acetyl tributyl citrateRetinoic acidME432797--16.898403.23145
AdenineAdenineME432282--0.808136.04747
AdenosineAdenosineME432558--1.058268.10385
Adenosine 5'-monophosphateAMPME432716--1.081348.06857
Adenosine_DiphosphateADPME432823--1.137428.03409
Adenosine monophosphate (AMP)AMPME432717--2.932348.06906
Adipoyl-carnitine; LC-tDDA; CE10CAR DC5:0ME432619--2.803290.15848
Adipoyl-carnitine; LC-tDDA; CE20CAR DC5:0ME432620--1.591290.15881
Adipoyl-carnitine; LC-tDDA; CE40CAR DC5:0ME432621--1.804290.15897
AlbuterolAlbuterolME432510--6240.15759
Alliin; LC-tDDA; CE20AlliinME432395--1.301178.05223
ALPHA-D-GLUCOSE 1-PHOSPHATEGlucose 1-phosphateME432545--0.897261.03476
alpha-Glutamyl-TyrosineGlu-TyrME432666--1.561311.12155
alpha-Hederinalpha-HederinME432906--5.988749.44598
alpha-Linolenoyl Ethanolamidealpha-Linolenoyl-EAME432685--14.995322.27304
alpha-TOCHOPHERYL ACETATE-ME432854--23.811473.39667
AM580-ME432721--16.6352.18579
AnabasamineAnabasamineME432534--1.147254.1595
ANDROSTERONEAndrosteroneME432622--10.138291.2337
AnilineAnilineME432207--1.54294.06346
Aniline; AIF; CE30; CorrDecAnilineME432208--1.59394.06574
ANTHRANILATE2-Aminobenzoic acidME432233--2.27120.04327
Arachidonoyl-carnitine; LC-tDDA; CE30CAR 20:4ME432841--14.461448.3414
Arachidonoyl EthanolamideArachidonoyl-EAME432719--16.069348.28931
AspartateAspartic acidME432274--1.062134.04379
ASP-PHEAsp-PheME432586--3.166281.11203
AtenololAtenololME432556--1.952267.17065
Atenolol acid-ME432559--3.527268.15417
Atractylenolide III-ME432524--8.951247.13261
Atrazine-desethyl6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME432420--1.702188.06508
Azacyclotridecan-2-one-ME432452--18.581198.18295
Azelaic acidAzelaic acidME432424--6.344189.1115
BaicalinBaicalinME432838--5.256447.08975
BENZALDEHYDEBenzaldehydeME432217--1.631107.04945
Benzoic acidBenzoic acidME432238--15.234121.02518
BenzoylecgonineBenzoyl ecgonineME432618--0.835290.13531
Benzyl-butyl-phthalateBenzyl butyl phthalateME432670--15.056313.14215
beta-Alaninebeta-AlanineME432206--1.98390.05612
BETAINEBetaineME432230--13.07118.08475
Betaine; CE30BetaineME432231--20.698118.08524
BilirubinBilirubinME432893--17.627585.26813
BiliverdinBiliverdinME432891--17.132583.2514
BiotinBiotinME432518--4.119245.09427
Bis[2-(2-butoxyethoxy)ethyl] hexandioate-ME432831--14.636435.29294
Bis(2-ethylhexyl)phosphate-ME432686--16.717323.23416
Bufalin-ME432828--10.217431.24136
BuspironeBuspironeME432773--7.904386.25595
BUTANALButanalME432194--3.92973.06645
Butyryl-carnitine; AIF; CE10; CorrDecCAR 4:0ME432499--2.283232.15517
C16 Lactosyl Ceramide (d18:1/16:0)-ME432922--21.475862.62189
C17_SphingosineC17 SphingosineME432608--12.528286.27332
CAFFEINECaffeineME432441--3.347195.08708
CaffeoylcholineCaffeoylcholineME432554--3.881266.13803
CARNITINECarnitineME432359--0.797162.11147
CARVONECarvoneME432328--4.398149.09628
CatecholPyrocatecholME432218--3.366109.02689
Ceramide (d18:1/16:0)Cer 18:1;O2/16:0ME432886--23.131538.51599
Ceramide (d18:1/18:0)Cer 18:1;O2/18:0ME432889--23.816566.55005
Ceratodictyol-ME432701--23.828331.28311
Cerebroside-ME432920--24.567850.67462
CetirizineCetirizineME432775--9.388389.16147
CHOLATECholic acidME432750--7.958373.27252
Cholest-4,6-Dien-3-One4,6-CholestadienoneME432764--21.401383.32959
CholesterolCholesterolME432738--25.977369.34958
Cholic acidCholic acidME432723--10.235355.25961
CHOLINECholineME432216--0.789104.10686
ChrysoeriolChrysoeriolME432648--8.185301.07007
C.I. Basic Red 9-ME432613--7.862288.14651
CINNAMIC ACIDtrans-Cinnamic acidME432327--5.006149.05782
CitalopramCitalopramME432689--7.943325.17221
CitrininCitrininME432569--7.746273.07147
ConiferaldehydeConiferyl aldehydeME432399--3.912179.0685
CorticosteroneCorticosteroneME432714--7.634347.21924
CortisoneCortisoneME432731--7.895361.20267
(+)-CostunolideCostunolideME432501--6.602233.15108
CotinineCotinineME432394--1.038177.10123
Coumaric acid (isomer of 189, 194)cis-p-Coumaric acidME432316--2.767147.04349
COUMARINCoumarinME432317--1.059147.04468
CREATINECreatineME432270--0.802132.07626
CREATININECreatinineME432222--9.713114.06358
Crystal violet-ME432743--11.842372.24533
Cucurbitacin I-ME432875--2.652513.30499
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME432474--4.847211.14114
CysteineCysteineME432241--3.568122.0252
CysteinylglycineCys-GlyME432397--0.854179.04732
CYTOSINECytosineME432220--1.049112.04785
DaidzeinDaidzeinME432536--6.792255.06453
DaidzinDaidzinME432834--2.861439.10117
D-beta-HomophenylalanineHomophenylalanineME432405--3.508180.10049
Decaethylene glycolDecaethylene glycolME432861--5.045481.25885
DECANOYLCARNITINECAR 10:0ME432674--9.809316.24805
Decanoyl-L-carnitine D3-ME432684--10.2319.26752
DEETN,N-Diethyl-m-toluamideME432435--2.848192.13937
Deethylatrazine6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME432421--3.139188.0703
DehydrocorydalineDehydrocorydalineME432737--10.735366.16916
Dehydrophytosphingosine (not validated, isomer of ...-ME432675--12.124316.28482
DehydrosalsolidineDehydrosalsolidineME432467--1.967206.1161
delta4-Dafachronic acid-ME432810--16.191413.30222
delta-Aminolevulinic acid5-Amino-levulinic acidME432262--7.103130.05072
DEOXYCARNITINE3-DehydroxycarnitineME432313--0.822146.11751
DEOXYCHOLATEDeoxycholic acidME432725--13.032357.27582
deoxycholic acidDeoxycholic acidME432755--11.353375.28818
Deoxykhivorin-ME432895--17.595593.27417
DEP_178.1226_15.3-ME432396--28.971178.12224
DErySphingosineSphingosineME432647--13.294300.28775
DG(20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)) (d...DG 20:4(5Z,8Z,11Z,14Z)/0:0/20:4(5Z,8Z,11Z,14Z)*ME432904--21.547692.52332
DG(20:5/0:0/20:5) (d5)DG 20:5/0:0/20:5*ME432903--20.164688.49286
dG-C8-4-CA-ME432787--4.046393.11249
D-(+)-GlucosamineGlucosamineME432402--1.053180.08115
DiaveridineDiaveridineME432546--2.818261.13312
DiazepamDiazepamME432598--10.457285.07755
DibucaineDibucaineME432712--7.889344.2403
dibutyladipateDibutyl adipateME432541--14.931259.18787
DibutylphthalateDibutyl phthalateME432583--17.008279.16052
Dicyclohexylurea-ME432490--10.315225.19524
Diethyl-phthalateDiethyl phthalateME432484--15.287223.09477
DiethyltoluamideN,N-Diethyl-m-toluamideME432434--9.676192.13708
Dihydrobiopterin4a-Carbinolamine tetrahydrobiopterinME432509--1.051240.10974
Diisobutyl phthalateDiisobutyl phthalateME432582--22.395279.15994
Dimethyl sulfoxideDimethyl sulfoxideME432200--0.92879.02244
Dimethyl??sulfoxideDimethyl sulfoxideME432199--0.99879.02
dimethyl(tetradecyl)amine-ME432511--14.195242.28239
Di-n-butyl phthalateDibutyl phthalateME432581--15.876279.15549
dioctylamineDioctylamineME432512--12.775242.28275
Dioctyl PhthalateDioctyl phthalateME432779--23.714391.28149
DiosgeninDiosgeninME432816--11.969415.31909
DisulfiramDisulfiramME432634--13.591297.06213
Divarinol-ME432331--6.934151.07494
DL-ConiineConiineME432258--2.117128.14113
Docosahexaenoic acidDocosahexaenoic acidME432697--17.761329.2468
Dodecanedioic acidDodecanedioic acidME432492--8.059229.14168
DodeDecanoyl-L-carnitine D3-ME432715--11.881347.29547
Dodemorph-ME432592--13.22282.28021
DothiepinDothiepinME432633--3.001296.14752
D-ribo-PhytosphingosinePhytosphingosineME432682--12.763318.29996
DropropizineDropropizineME432504--2.699237.15915
D-sphingosineSphingosineME432646--13.155300.28644
(E,6S)-7-hydroxy-2-methyl-6-[(10S,13S,14S,17S)-4,4...-ME432853--11.1471.3465
EcgonineEcgonineME432418--0.844186.10471
Ecgonine-methyl-ester (EME)-ME432454--7.194200.12663
ELAIDIC ACIDElaidic acidME432594--18.92283.26114
EnterolactoneEnterolactoneME432587--8.674281.11746
EpigallocatechinEpigallocatechinME432660--1.077307.08105
EquolEquolME432515--6.091243.10022
Ergothioneine; LC-tDDA; CE30ErgothioneineME432493--0.825230.0945
Erucamide13Z-DocosenamideME432706--18.748338.33835
EstriolEstriolME432568--8.112271.20462
EstroneEstroneME432562--1.549269.14868
EthoxyquinEthoxyquinME432477--18.537218.14877
EthylparabenEthylparabenME432367--2.869165.05418
Ethylrhoeagenine-ME432790--12.355398.15988
EtilefrineEtilefrineME432410--10.76182.11836
ExemestaneExemestaneME432683--3.524319.16626
FA 18:2+O-ME432623--13.175293.2088
FA 18:3+1OOctadecatrienoic acidME432578--14.689277.21466
Fenpropimorph-ME432657--17.442304.26138
FERULATEtrans-Ferulic acidME432393--7.768177.0564
FERULIC ACIDtrans-Ferulic acidME432439--4.99195.06374
FeruloylcholineFeruloylcholineME432585--4.175280.15274
Flavin??adenine??dinucleotideFADME432913--2.922786.16425
Flavone base + 3O, 2MeO, O-guaiacylglycerol-ME432885--8.674527.15411
Flufenacet ESA-ME432574--12.078276.06747
FlumequineFlumequineME432548--1.319262.08456
Folic acidFolic acidME432837--2.718442.14682
FormononetinFormononetinME432555--0.847267.05777
GabapentinGabapentinME432380--3.072172.1322
GalaxolidoneGalaxolidoneME432571--4.184273.1788
GAMMA-CAPROLACTONEgamma-CaprolactoneME432223--3.8115.07341
gamma-Dodecalactonegamma-DodecalactoneME432453--18.825199.17107
gamma-Glutamylleucinegamma-GlutamylleucineME432547--2.903261.1441
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME432665--1.61311.12137
gamma-Undecalactonegamma-UndecalactoneME432417--17.877185.15178
GenisteinGenisteinME432565--7.98271.05884
??-Gentiobiose-ME432729--0.836360.14609
Gentisyl alcoholGentisyl alcoholME432298--2.792141.05461
GlutamateGlutamic acidME432325--0.883148.0612
Glutamic acidGlutamic acidME432323--0.782148.05882
Glutamic acid gamma methyl esterGlutamic acid gamma-methyl esterME432357--1.032162.07597
GlutamineGlutamineME432318--0.869147.07419
Glutaryl-carnitine; AIF; CE10; MS2DecCAR DC5:0ME432576--0.86276.13953
Glutaryl-carnitine; AIF; CE30; CorrDecCAR DC5:0ME432577--1.112276.14429
Glutathione oxidizedGlutathioneME432900--0.828613.1568
Glutathione (reduced)GlutathioneME432663--0.851308.09036
GLYCEROL-MYRISTATEMG 14:0ME432602--22.661285.24274
Glyceryl trioleateTG 18:1/18:1/18:1ME432924--25.783923.74512
GLYCINEGlycineME432196--3.15676.03878
GlyciteinGlyciteinME432597--7.038285.07385
GLYCOCHENODEOXYCHOLATEGlycochenodeoxycholic acidME432811--9.948414.29929
GLYCOCHENODEOXYCHOLIC ACIDGlycochenodeoxycholic acidME432840--10.729448.30447
Glycochenodeoxycholic acid; LC-tDDA; CE20Glycochenodeoxycholic acidME432844--11.809450.3197
Glycochenodeoxycholic acid; LC-tDDA; CE40Glycochenodeoxycholic acidME432843--9.94450.31943
Glycocholic AcidGlycocholic acidME432851--8.16466.3114
GlycocyamineGuanidoacetic acidME432227--0.866118.06264
Glycodeoxycholic acidGlycodeoxycholic acidME432842--11.438450.3194
Glycohyocholic acidGlycohyocholic acidME432852--9.438466.31689
Glycolithocholic acidGlycolithocholic acidME432830--13.486434.32639
glycoursodeoxycholic acidGlycoursodeoxycholic acidME432812--11.509414.29932
GlycylleucineGly-LeuME432425--2.321189.12274
GuanineGuanineME432333--0.824152.0555
GuanosineGuanosineME432595--1.066284.09824
h_128_methyl_1_testosterone-ME432656--25.79303.23138
h_315_oxymetholone_m2-ME432679--19.045317.24731
h_52_drostanolone-m-ME432612--19.83287.23654
h_60_epimethendiol-ME432564--17.44269.22455
Heliotrine N-oxideHeliotrine N-oxideME432699--4.252330.18927
Heneicosanoic acidHeneicosylic acidME432690--14.07325.31659
Heptadecanoyl EthanolamideMargaroyl-EAME432672--17.099314.30569
Hetisine-ME432752--10.642374.19946
Hexaethylene glycolHexaethylene glycolME432593--3.463283.17676
Hexanoyl-carnitine; AIF; CE30; CorrDecCAR 6:0ME432544--5.443260.18607
HEXANOYLGLYCINEHexanoylglycineME432385--5.229174.1124
Hexanoyl-L-CarnitineCAR 6:0ME432543--5.349260.18546
HexylamineHexylamineME432214--25.57102.12822
HIPPURATEHippuric acidME432401--3.574180.06424
Hippuric acidHippuric acidME432400--4.728180.06416
HistidineHistidineME432342--7.027156.07701
HYDROXYPHENYLLACTIC ACIDHydroxyphenyllactic acidME432411--2.875183.0636
HydroxyzineHydroxyzineME432753--9.168375.18192
hyocholic acidHyocholic acidME432748--9.876373.272
hypericinHypericinME432872--6.338503.14706
HypoxanthineHypoxanthineME432286--2.101137.04395
IbuprofenIbuprofenME432468--3.907207.13608
ImidocarbImidocarbME432720--3.948349.18234
INDOLEIndoleME432228--2.618118.06318
Indole-3-acetyl-L-alanine-ME432522--5.806247.10805
Indole-3-carbinolIndole-3-carbinolME432264--5.11130.06276
INDOLE-3-ETHANOLTryptophanolME432358--6.206162.08987
INDOLEACETALDEHYDEIndoleacetaldehydeME432346--5.312160.07443
INDOLEACETIC ACIDIndoleacetic acidME432391--6.164176.06833
INDOLELACTIC ACIDIndolelactic acidME432465--5.316206.07867
INDOLEPROPIONIC ACIDIndolepropionic acidME432429--7.441190.08595
IndolineIndolineME432236--5.187120.079
InosineInosineME432560--1.071269.08591
Intermedine N-oxideIntermedine N-oxideME432673--3.214316.17496
Isobutyryl-carnitine; LC-tDDA; CE10CAR 4:0ME432498--2.444232.15303
isochromophilone VI-ME432829--2.409434.17493
IsoleucineIsoleucineME432272--2.54132.09056
IsophoroneIsophoroneME432296--7.518139.11061
IsorhynchophyllineIsorhynchophyllineME432763--15.597383.20883
ISOVALERYLGLYCINEIsovalerylglycineME432348--3.141160.09601
IS_PHENYLALANINE-2,3,4,5,6-D5-ME432379--1.594171.1162
IS_TRYPTOPHAN-2,4,5,6,7-D5-ME432473--2.524210.1274
KetamineKetamineME432507--5.336238.09843
Kynurenic acidKynurenic acidME432427--2.936190.04831
KynurenineKynurenineME432471--1.54209.0905
LACTULOSELactuloseME432730--0.896360.14847
L-ArginineArginineME432387--0.82175.10791
Lauramidopropyl betaineLauramidopropyl betaineME432711--11.068343.29572
Lauric isopropanolamide-ME432540--11.563258.24356
LaurocapramLaurocapramME432591--17.603282.28015
LAUROYLCARNITINECAR 12:0ME432713--11.94344.27747
Lauryl diethanolamideLauroyl diethanolamideME432615--12.542288.25031
LauryldiethanolamineN-LauryldiethanolamineME432573--11.011274.27118
Lauryldimethylamine Oxide-ME432495--11.052230.24702
L-beta-Homoisoleucine-ME432314--3.03146.11758
L-beta-Homoleucine-ME432303--0.836144.10118
LeucineLeucineME432273--1.257132.10265
Leucine_Enkephalin-ME432888--6.329556.27533
Leucyl-Alanine; LC-tDDA; CE40Leu-AlaME432459--2.298203.13789
Leucyl-leucine; LC-tDDA; CE30Leu-LeuME432520--4.207245.18706
Leucyl-leucine; LC-tDDA; CE40Leu-LeuME432519--4.538245.18459
L-Glutamic acidGlutamic acidME432324--4.621148.05954
L-GlutamineGlutamineME432319--4.033147.07588
L-HistidineHistidineME432343--0.7156.07745
Lidocaine-N-Oxide-ME432529--3.561251.17567
Linoleic acidLinoleic acidME432588--16.778281.24557
LINOLENIC ACIDOctadecatrienoic acidME432584--17.107279.2305
Linoleoyl EthanolamideLinoleoyl-EAME432687--15.885324.28967
Linoleyl-carnitine; AIF; CE30; CorrDecCAR 18:2ME432819--14.281424.34122
Linoleyl-carnitine; LC-tDDA; CE20CAR 18:2ME432818--14.457424.33905
LiquiritigeninLiquiritigeninME432537--6.894257.08008
lithocholic acidLithocholic acidME432707--15.236341.28363
LoliolideLoliolideME432449--5.77197.11786
LPC 16:0LPC 16:0ME432866--14.243496.33859
LPC 18:1LPC 18:1ME432882--14.775522.35284
LPC 18:2LPC 18:2ME432880--14.383520.33752
LPC 18:3LPC 18:3ME432879--13.664518.32031
LPE 18:1LPE 18:1ME432860--14.716480.30438
LPE 18:2LPE 18:2ME432857--13.847478.29053
LPE 18:3LPE 18:3ME432856--13.437476.27426
L-PhenylalaninePhenylalanineME432371--5.181166.08493
L-ProlineProlineME432224--0.689116.0699
L-ThyroxineThyroxineME432909--9.468777.69318
L-TryptophanTryptophanME432462--2.504205.0957
Luteolin-7-O-glucosideLuteolin-7-O-glucosideME432839--11.015447.09604
LycopsamineLycopsamineME432645--4.102300.17831
LysineLysineME432322--4.758147.11523
Lysine; LC-tDDA; CE40LysineME432321--0.696147.11122
LysoPC(0:0/18:0)LPC 0:0/18:0ME432884--15.787524.37085
MAG-ME432760--17.733379.27701
MagnololMagnololME432553--4.894265.12119
MaltolMaltolME432254--2.515127.03873
MALTOTRIOSEMaltotrioseME432873--0.902505.177
m-Cumenyl methylcarbamatem-Cumenyl methylcarbamateME432437--0.842194.11548
Mefenamic acidMefenamic acidME432508--14.87240.10069
MelezitoseMelezitoseME432881--0.801522.203
MeperidineMeperidineME432526--4.334248.16234
MethionineMethionineME432329--7.517150.05548
Methylimidazoleacetic acid; LC-tDDA; CE30Methylimidazoleacetic acidME432299--0.815141.06554
METHYL INDOLE-3-ACETATEIndole-3-methyl acetateME432422--2.506188.07036
methyl (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,15S,17R)...-ME432801--12.416405.29871
methyl (R)-4-((3R,5S,7R,8S,9S,10S,13R,14R,17R)-3,7...-ME432774--12.161387.28955
Methyltestosterone17-MethyltestosteroneME432654--17.038303.23056
MethylthioadenosineMethylthioadenosineME432639--2.465298.09711
Methyl trans-styryl ketone-ME432320--13.785147.08107
MethyltyrosinateMethyl tyrosinateME432445--2.029196.09654
MMV028694-ME432702--6.696333.14301
MMV688469-ME432575--5.163276.12619
MMV688990-ME432803--14.205408.32553
Mono-iso-butyl phthalateMonoisobutyl phthalateME432485--15.219223.09805
MonooleinMG 18:1ME432727--17.809357.29742
MorphineMorphineME432605--6.063286.14429
Morphine_3_GlucuronideMorphine-3-glucuronideME432848--2.126462.17593
Myristamidopropyl betaineMyristamidopropyl betaineME432741--12.697371.32602
Myristoyl-carnitine; LC-tDDA; CE20CAR 14:0ME432745--13.293372.31067
Myristoyl-carnitine; LC-tDDA; CE30CAR 14:0ME432744--13.371372.31024
N-[1,3-dihydroxyoctadec-4-en-2-yl]tetracos-15-enam...-ME432901--24.989630.61731
N1-Methylguanosine; LC-tDDA; CE401-MethylguanosineME432641--1.122298.11212
N2_N2-DimethylguanosineN2,N2-DimethylguanosineME432667--1.728312.12686
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME432668--1.673312.13019
N-(2-Phenylethyl)acetamideN-acetylphenylethylamineME432366--5.966164.1058
N6-IsopentenyladenosineN6-IsopentenyladenosineME432705--5.279336.16766
N6-Me-AdenosineN6-MethyladenosineME432589--1.227282.11658
N6-Methyl-lysine; AIF; CE0; CorrDecN(6)-MethyllysineME432353--16.754161.13051
N6,N6-dimethyllysineN(6),N(6)-Dimethyl-lysineME432388--0.728175.14507
N6-Succinyladenosine; AIF; CE0; MS2DecSuccinyladenosineME432766--1.648384.11417
N6-Succinyladenosine; AIF; CE30; MS2DecSuccinyladenosineME432765--1.535384.11371
N6-ThreonylcarbamoyladenosineN6-Carbamoyl-L-threonyladenosineME432808--2.993413.14294
N7-Et-G-ME432403--1.549180.08702
N8-AcetylspermidineN8-AcetylspermidineME432423--0.747188.17531
N-Acetyl-5-hydroxytryptamineN-AcetylserotoninME432478--4.514219.11168
N-ACETYL-ASPARTIC ACIDN-Acetylaspartic acidME432389--1.065176.05536
N-Acetyl-Asp-GluN-Acetyl-Asp-GluME432658--1.087305.09506
N-AcetylcarnosineN-AcetylcarnosineME432561--0.858269.12485
N-Acetyl-cysteine; LC-tDDA; CE10N-AcetylcysteineME432363--7.359164.03545
N-Acetyl-cysteine; LC-tDDA; CE20N-AcetylcysteineME432364--3.573164.0356
N-AcetylcytidineN4-AcetylcytidineME432603--1.361286.10513
N-ACETYLGALACTOSAMINEN-Acetyl-D-galactosamineME432516--0.816244.07921
N-Acetylglutamic acidN-Acetylglutamic acidME432428--1.089190.07248
N-Acetyl-leucine; LC-tDDA; CE20N-AcetylleucineME432386--4.545174.11418
N-Acetylmuramic AcidN-Acetylmuramic acidME432626--1.126294.11346
N-AcetylphenylalanineN-AcetylphenylalanineME432470--5.221208.09677
N-acetyl putrescineN-AcetylputrescineME432268--0.815131.11531
N-Acetyl-tryptophan; LC-tDDA; CE40N-Acetyl-tryptophanME432523--5.491247.10808
N-Acetyl-tyrosine; LC-tDDA; CE20N-AcetyltyrosineME432486--2.772224.09216
NadololNadololME432664--7.477310.20166
NALOXONENaloxoneME432694--2.155328.15182
NaltrexoneNaltrexoneME432708--9.109342.1705
NaphthaleneNaphthaleneME432257--12.185128.0611
NaproxenNaproxenME432496--10.223231.1015
N-C18:0 PhytoceramideCer 18:0;O3/18:0ME432892--23.252584.55927
NCGC00015088-09_C12H14N2O_N-[2-(1H-Indol-3-yl)ethy...-ME432458--6.323203.1178
NCGC00142553-05!5,7-dimethoxy-2-phenyl-2,3-dihydro...-ME432661--9.907307.09619
NCGC00169595-03_C20H32O3_[(2R,5R,8a'S)-2',5,5',5',...-ME432710--15.094343.22568
NCGC00169827-03!(2E,4E)-12-hydroxy-13-(hydroxymeth...-ME432735--7.083365.19202
NCGC00169961-02!4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7...-ME432762--8.906381.20248
NCGC00178486-02!5-hydroxy-2-(4-hydroxyphenyl)-7-[(...-ME432827--10.981431.09454
NCGC00180676-03_C20H36O3_1-Naphthalenepentanoic ac...-ME432662--18.419307.26465
NCGC00336197-02!(1E,4E)-1,5-bis(4-methoxyphenyl)pe...-ME432676--15.294317.11163
NCGC00380283-01!4-[5-[[4-[5-[acetyl(hydroxy)amino]...-ME432858--14.116478.29291
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...-ME432799--18.57404.31616
NCGC00380823-01!2-(14-methylpentadecanoylamino)-3-...-ME432820--18.566426.29575
NCGC00380830-01!methyl 2-[(2-hydroxy-3-methylbutan...-ME432533--7.877254.13751
NCGC00380990-01!(2E,4E)-12-hydroxy-13-(hydroxymeth...-ME432758--6.32379.20844
NCGC00381364-01!3-propan-2-yl-2,3,6,7,8,8a-hexahyd...-ME432450--3.514197.12704
NCGC00381425-01!8-hydroxy-8-(3-octyloxiran-2-yl)oc...-ME432637--11.847297.23944
NCGC00384578-01!5-[5-(acetyloxymethyl)-1,2,4a-trim...-ME432795--14.218401.22833
NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)...-ME432611--17.861287.23575
NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimeth...-ME432655--17.127303.23102
NCGC00384702-01!(2Z,6E,10E)-12-hydroxy-6,10-dimeth...-ME432601--12.081285.21933
NCGC00384740-01_C21H34O9_2(1H)-Azulenone, 6-(beta-...-ME432845--4.708453.22162
NCGC00385110-01_C20H38O2_(2R)-1-(5-Hydroxy-3-methy...-ME432703--18.945333.2771
NCGC00385291-01_C19H30O8_3-Buten-2-one, 4-[4-(beta...-ME432804--4.365409.18195
NCGC00385316-01_C20H32O3_1-Naphthalenepentanoic ac...-ME432709--6.424343.22226
NCGC00385702-01!(2S,3R,5R,10R,13R,14S,17R)-17-[(2S...-ME432864--9.781487.3031
NCGC00385854-01_C14H19N3O4_N~5~-Carbamoyl-N~2~-(ph...-ME432627--4.122294.14352
N-(CINNAMOYL)GLYCINECinnamoylglycineME432466--5.831206.08057
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME432426--0.725189.15915
NicotinamideNiacinamideME432244--1.056123.05419
NicotineNicotineME432362--29.004163.12242
NICOTINIC ACIDNicotinic acidME432247--1.065124.03878
NICOTINURIC ACIDNicotinuric acidME432406--2.792181.06102
N-IsovalerylglycineIsovalerylglycineME432347--3.469160.09573
N-lauroylethanolamineLauroyl-EAME432517--12.787244.22719
N-METHYLNICOTINAMIDEN-MethylnicotinamideME432280--2.792135.05377
N,N-Dimethyldodecylamine N-oxideN,N-Dimethyldodecylamine N-oxideME432494--11.107230.24623
N,N-DimethylformamideN,N-DimethylformamideME432195--1.21274.06092
N,N-Dimethylguanosine; LC-tDDA; CE40N2,N2-DimethylguanosineME432669--1.597312.13062
N-OleoylethanolamineOleoyl-EAME432691--16.872326.3038
N-Oleoyl-PhenylalanineN-Oleoyl phenylalanineME432825--18.96430.33157
N-Oleyl-LeucineN-Oleoyl leucineME432789--15.236394.32886
Nonaethylene glycolNonaethylene glycolME432832--4.728437.23441
Nordiazepam-ME432566--9.178271.06299
Nordihydroguaiaretic acidNordihydroguaiaretic AcidME432649--17.468301.13916
NorethindroneNorethindroneME432636--3.907297.17923
NorvalineNorvalineME432229--2.567118.06445
Nudifloramide; LC-tDDA; CE20-ME432339--1.095153.06468
O6-MeG-ME432370--1.102166.07045
OCP_295.0845_17.0-ME432628--1.45295.08334
Octaethylene glycolOctaethylene glycolME432788--4.366393.20905
OCTANOYLCARNITINECAR 8:0ME432614--7.34288.2179
Octenoyl-carnitine; LC-tDDA; CE10CAR 8:1ME432606--7.42286.19998
o-Hydroxyhippuric acidSalicyluric acidME432443--4.596196.0589
OleamideOleamideME432590--17.543282.27682
Oleanane -4H, + 2O-ME432836--14.728441.37177
Oleoyl-carnitine; LC-tDDA; CE20CAR 18:1ME432822--15.029426.35678
Oleyl sarcosine-ME432722--17.511354.29889
O-PhosphocholineCholine phosphateME432416--21.452184.07549
OPHTHALMIC ACIDOphthalmic acidME432617--1.068290.13086
oroxindinOroxindinME432847--4.449461.1088
ortho-Chlorophenylpiperazine-ME432447--6.389197.0798
Ortophosphate-ME432211--0.92798.9837
PaeonolPaeonolME432373--6.689167.06789
Palmitoyl-carnitine; LC-tDDA; CE20CAR 16:0ME432794--14.804400.34204
P-ANISALDEHYDE-ME432288--2.885137.05876
PantothenatePantothenic acidME432483--1.913220.11722
PARAXANTHINEParaxanthineME432407--2.316181.07079
PC(16:0/0:0)LPC 16:0/0:0ME432865--18.462496.33588
PC(16:0/18:1(9Z))PC 16:0/18:1(9Z)ME432907--23.027760.58167
PC 17:0-20:3-d5_ISTD-ME432914--24.089802.63019
Pentadecanoyl EthanolamidePentadecanoyl-EAME432607--13.231286.27264
PharmaGSID_48507-ME432756--3.702377.14536
PhenacetinPhenacetinME432404--8.193180.10036
Phenylacetylglutaminealpha-N-PhenylacetylglutamineME432552--3.749265.11841
Phenylacetylglycine; LC-tDDA; CE10PhenylacetylglycineME432436--4.252194.07924
PHENYLALANINEPhenylalanineME432365--1.211164.07356
Phenylalanylphenylalanine; LC-tDDA; CE40Phe-PheME432671--5.407313.15585
PHENYLETHANOLAMINE2-HydroxyphenethylamineME432237--1.64120.08105
PhenytoinPhenytoinME432532--8.555253.09741
Phosphorylcholine; LC-tDDA; CE10Choline phosphateME432413--20.159184.06898
Phosphorylcholine; LC-tDDA; CE20Choline phosphateME432414--21.57184.07088
Phosphorylcholine; LC-tDDA; CE40Choline phosphateME432415--20.537184.07251
Phthalic acidPhthalic acidME432326--12.756149.02168
Phytosphingosine (not validated, isomer of 1696)-ME432681--11.215318.29794
Picolinic acidPicolinic acidME432246--2.792124.03841
PilocarpinePilocarpineME432472--2.753209.12828
PIPECOLIC ACIDPipecolic acidME432266--0.693130.08659
PIPECOLINIC ACIDPipecolic acidME432267--1.029130.08675
PiperinePiperineME432604--11.262286.14151
P-OCTOPAMINEOctopamineME432283--1.061136.07445
ProlineProlineME432225--4.302116.07001
Propionyl-carnitineCAR 3:0ME432476--1.239218.1358
PSICOSEPsicoseME432456--0.823203.05255
Pterosin APterosin AME432527--9.18249.1476
Pterosin BPterosin BME432480--8.967219.13904
Pterosin GPterosin GME432502--6.633235.13092
PyridinePyridineME432201--1.06680.05001
PYRIDOXALPyridoxalME432330--2.114150.05553
PyridoxaminePyridoxamineME432375--0.711169.09439
PYRIDOXINEPyridoxineME432377--1.066170.08083
PyrimidinePyrimidineME432202--0.80381.04643
PyroglutamatePyroglutamic acidME432259--1.054130.0477
PYROGLUTAMIC ACIDPyroglutamic acidME432261--1.301130.04916
PyrrolidinePyrrolidineME432193--0.772.08147
QuetiapineQuetiapineME432767--7.321384.17505
Quinaldic acidQuinaldic acidME432382--4.848174.05463
Quinoline; LC-tDDA; CE20QuinolineME432265--2.618130.06422
Quinoline; LC-tDDA; CE30QuinolineME432263--5.303130.06227
Quinolone2-HydroxyquinolineME432307--4.389146.05928
(R)-4-((1R,3S,5R,8S,9S,10S,13R,14S,17R)-1,3-dihydr...-ME432912--11.473785.58862
(R)-4-((3R,5R,6R,7R,8R,9S,10R,12S,13R,14S,17R)-3,6...-ME432776--8.248389.26797
(R)-4-((3R,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME432916--11.254817.58038
(R)-4-((3R,5R,6R,7S,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME432806--9.881409.29385
(R)-4-((3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,6,12...-ME432749--11.254373.27222
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...-ME432746--12.19373.27179
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,...-ME432751--13.127373.27475
(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12...-ME432747--11.33373.27179
(R)-4-((3S,5R,6S,7S,8S,9S,10R,13R,14S,17R)-3,6,7-t...-ME432782--10.054391.28256
(R)-4-((3S,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydr...-ME432915--13.29807.56781
(R)-4-((3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihy...-ME432911--11.353785.58826
(R)-4-((5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3...-ME432740--10.596371.2583
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-ox...-ME432739--13.47371.25821
RaloxifeneRaloxifeneME432855--2.891474.17535
ReserpineReserpineME432899--15.253609.27637
ResibufogeninResibufogeninME432770--10.495385.23441
RIBOFLAVINRiboflavinME432757--3.909377.14667
Roquefortine ARoquefortine AME432642--3.206299.1712
S-(5'-Adenosyl)-L-methionineS-AdenosylmethionineME432791--0.673399.15036
S-Adenosylhomocysteine (SAH)S-AdenosylhomocysteineME432769--0.94385.13071
S-Adenosyl-homocysteine (SAH); LC-tDDA; CE30S-AdenosylhomocysteineME432768--1.058385.12656
Saikosaponin aSaikosaponin AME432910--15.195779.46149
Saikosaponin C-ME432925--29.026925.51038
Salicylic acidSalicylic acidME432293--5.962139.03667
SARCOSINESarcosineME432205--0.79790.05457
SclareolSclareolME432572--18.258273.25967
SeneciphyllineSeneciphyllineME432704--17.99334.15521
SerylleucineSer-LeuME432479--2.304219.13193
SinomenineSinomenineME432698--6.052330.17108
SN-GLYCERO-3-PHOSPHOCHOLINEsn-Glycero-3-phosphocholineME432539--0.823258.10779
SolasodinSolasodineME432813--11.964414.33093
(S)-(-)-Perillic acidPerillic acidME432368--16.858165.08873
SpermidineSpermidineME432315--0.689146.16566
SpermineSpermineME432460--0.697203.22043
SPHINGANINESphinganineME432651--13.617302.30258
Sphinganine (C17 base)C17 SphinganineME432616--12.729288.28851
SPHINGOMYELINSM 18:1;O2/18:0ME432905--22.178731.59821
SSR180711-ME432688--1.502325.05286
StearamideStearamideME432596--20.467284.29495
Stearoyl-carnitine; LC-tDDA; CE20CAR 18:0ME432824--15.956428.36847
Stearoyl EthanolamideStearoyl-EAME432696--17.879328.31992
StercobilinL-UrobilinME432896--7.811595.34564
STIGMASTA-4,22-DIEN-3-ONEStigmasta-4,22-dien-3-oneME432807--22.4411.36218
Suberic acidSuberic acidME432381--5.309173.08095
TAG(50:1)TG 50:1ME432921--25.335850.7865
Taurine; LC-tDDA; CE10TaurineME432250--0.88126.02155
Taurine; LC-tDDA; CE40TaurineME432249--0.824126.02154
TaurocholateTaurocholic acidME432877--6.667516.29419
taurocholic acidTaurocholic acidME432849--9.1462.26639
TaurodeoxycholateTaurodeoxycholic acidME432870--10.362500.30212
taurodeoxycholic acidTaurodeoxycholic acidME432869--10.682500.30164
taurohyodeoxycholic acidTaurohyodeoxycholic acidME432850--8.937464.2829
?-Tauromuricholic acidTauromuricholic acidME432878--7.836516.29749
tauroursodeoxycholic acidTauroursodeoxycholic acidME432862--10.266482.29181
TentoxinTentoxinME432815--17.535415.23245
THE-ME432736--7.62365.23267
THEOBROMINETheobromineME432408--1.638181.07286
ThiabendazoleThiabendazoleME432455--3.583202.04524
THIAMINEThiamineME432551--0.677265.1095
ThioninThioninME432287--2.156137.04535
ThreonineThreonineME432235--0.872120.06351
Threonylleucine (isomer of 809, 926)Thr-LeuME432500--2.019233.1467
Thymidine; LC-tDDA; CE30ThymidineME432514--1.439243.0977
THYMINEThymineME432256--1.438127.04957
ThymolThymolME432332--7.889151.11079
TrachelanthineTrachelanthineME432650--5.893302.19528
TramadolTramadolME432549--5.303264.19373
trans-Ferulic acid; [M+H-H2O]+trans-Ferulic acidME432392--3.973177.05228
TraversianalTraversianalME432678--13.799317.21136
TrazodoneTrazodoneME432742--6.74372.15738
TREHALOSETrehaloseME432734--0.784365.10364
Triacylglycerol 16:0-18:1-18:1TG 16:0_18:1_18:1ME432923--25.545876.8031
Tri(butoxyethyl)phosphateTri(butoxyethyl)phosphateME432793--15.384399.25125
Tri(butoxyethyl) phosphateTri(butoxyethyl)phosphateME432792--15.292399.25
TributylamineTributylamineME432419--7.169186.2204
TricinTricinME432700--8.15331.07883
TrigonellineTrigonellineME432291--0.819138.05319
Trilostane-ME432695--6.466328.1926
TRIMETHYLAMINETrimethylamineME432192--0.79160.08268
TRIMETHYLAMINE N-OXIDETrimethylamine N-oxideME432197--0.80776.07697
Tri-N-butyl phosphateTributyl phosphateME432557--14.488267.17123
TripalmitinTG 16:0/16:0/16:0ME432918--25.161824.77081
Triphenyl phosphate (TPP)Triphenyl phosphateME432692--13.982327.07697
Triphenylphosphine oxide-ME432580--10.446279.09399
Tripropilamine-ME432304--3.148144.1736
TrospiumTrospiumME432786--9.34392.22235
TroxipideTroxipideME432629--3.264295.16425
TryptamineTryptamineME432352--3.17161.10728
TryptophanTryptophanME432463--3.332205.09657
Tryptophan betaineLenticinME432525--3.121247.14336
TyramineTyramineME432240--6.684121.064
TyrosineTyrosineME432409--1.749182.0779
URACILUracilME432221--1.019113.03245
Uric acidUric acidME432374--0.958169.0354
UROCANATEUrocanic acidME432295--0.837139.05075
Urolithin AUrolithin AME432491--4.423229.04947
URSOCHOLIC ACIDUrsocholic acidME432821--8.556426.3194
URSODEOXYCHOLATEUrsodeoxycholic acidME432726--18.738357.27896
ValerophenoneValerophenoneME432361--19.829163.11203
Valeryl-carnitine; AIF; CE10; CorrDecCAR 5:0ME432521--3.796246.16847
ValineValineME432232--3.076118.08575
VasicinoneVasicinoneME432457--1.283203.08035
VelvioneVelvioneME432506--13.905237.21748
WalleminoneWalleminoneME432503--4.753235.16943
XanthineXanthineME432337--0.866153.03979
XanthosineXanthosineME432600--1.134285.08136
XanthoxylinXanthoxylinME432448--5.09197.08124
Xanthurenic acidXanthurenic acidME432464--2.389206.04434
y-Linolenic acidgamma-Linolenic acidME432579--16.287277.21469
(Z)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphe...-ME432761--6.735381.18146
(Z)-5,8,11-trihydroxyoctadec-9-enoic acid-ME432718--9.631348.27399
ZearalenoneZearalenoneME432677--11.647317.13712


  logo