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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
10-Hydroxycamtothecin-ME308713--238.2525365.1149219
1,2,3-Benzenetriol1,2,3-TrihydroxybenzeneME308506--391.3825275.0512727
1,2-dioleoyl-sn-glycero-3-phosphatidylcholinePC 18:1/18:1ME308828--155.501824.5758669
12-oxo-ETE12-Oxo-ETEME308616-C14807135.426319.2251494
15-Deoxy-delta-12,14-PGJ215-Deoxy-delta-12,14-PGJ2ME3086125311211C14717136.2215317.209446
16-Hydroxypalmitic acidJuniperic acidME3085737058075C1821847.529295.2246886
1,7-Dimethyluric acid1,7-Dimethyluric acidME30846391611C16356150.497260.0724988
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME308209--328.6955144.1010881
1-Aminocyclopropanecarboxylic acid1-Aminocyclopropanecarboxylic acidME308207133503-316.477143.0808645
1-Eicosatrienoyl-sn-glycero-3-phosphoethanolamineLPE 20:3ME308783--171.83504.2995414
1H-Indole-3-propanoic acid3-Indolepropionic acidME308751--325.4365401.1508836
1-Methyladenosine1-MethyladenosineME30847727476C02494375.306264.1062918
1-methylguanosine1-MethylguanosineME30852396373-401.3075280.1012233
1-Methylnicotinamide1-Methyl nicotinamideME308202457C02918200.6645138.0761342
1-Myristoyl-sn-glycero-3-phosphocholineLPC 14:0ME308771--174.327468.3074978
1-Naphthol1-NaphtholME3085997005C11714392.584306.1539684
1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-ph...PC P-18:0/2:0 or PC O-18:1/2:0ME308801--163.574550.3846862
1-Oleoyl-sn-glycero-3-phosphocholineLPC 18:1/0:0ME308808-C04230183.295566.3059152
1-O-Octadecyl-sn-glyceryl-3-phosphorylcholineLPC O-18:0ME308786--176.927510.3883013
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...LPE 16:0ME308767--181.395454.2930782
1-PalmitoylglycerolMG 16:0/0:0/0:0ME308606--129.318313.273326
1-PalmitoyllysophosphatidylcholineLPC 16:0ME308805--306.126560.3445452
1-Palmitoyl-sn-glycero-3-phosphocholineLPC 16:0ME308782-C04230176.134496.338733
1-Salicylate glucuronide1-Salicylate glucuronideME3087293084023-404.4425378.0882844
1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (...PC 18:0_18:1ME308825--130.025788.6088332
1-Stearoyl-sn-glycerol 3-phosphocholineLPC 18:0ME308790--167.3805523.3569006
20-Hydroxyarachidonic acid20-HETEME308709-C1474841.482362.2669648
2(1H)-Pyridinone2-HydroxypyridineME308157--244.98896.04320297
24,25-Hydroxyvitamin D324,25-Dihydroxyvitamin D3ME308735--44.375381.3095071
2',4'-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME3081976990C03663385.294135.0470274
2-Amino-2-methyl-1,3-propanediol-ME308147--292.77570.06486177
2'-Deoxyadenosine 5'-monophosphate (dAMP)dAMPME30864512599C00360402.466332.0738818
2'-DeoxyinosineDeoxyinosineME308447-C05512171.766253.0916989
(2E,6E)-Farnesol2E,6E-FarnesolME308666445070C0112678.73337.2355128
2-Hydroxyadenine2-HydroxyadenineME30822876900-246.557152.0557397
2-Isopropylmalic acid2-Isopropylmalic acidME3083115280523C0250485.46194.1020558
2-Ketobutyric acid3-Methyl pyruvic acidME30816058C00109335.016103.0377275
2-Methoxybenzoic acid2-Methoxybenzoic acidME30822711370-229.415152.0457799
2-Methyl-3-hydroxybutyric acid2-Methyl-3-hydroxybutyric acidME308176160471-223.087119.071538
2-MethylbutyroylcarnitineCAR(4:0(2Me))ME308428--221.589246.1694997
2'-O-methylguanosine2'-O-MethylguanosineME30857797217-153.2625297.1043453
2'-O-methylinosine-ME308532--140.785283.1030589
2-Phenylacetamide2-PhenylacetamideME308315-C0250545.91196.0955356
2-Phenylbutyric acid-ME3086827590-44.5365346.2001509
3,3-Dimethylacrylic acid-ME308159--364.489101.0585528
3,4-Dihydroxybenzoate (Protocatechuic acid)Protocatechuic acidME30820072C00230283.525137.0250029
3,4-Dihydroxyhydrocinnamic acid3,4-Dihydroxyhydrocinnamic acidME308288348154C10447324.655183.0609725
3,4-Dihydroxyphenylacetic acid3,4-Dihydroxybenzeneacetic acidME308255547C01161276.412168.0424242
3',5'-Cyclic guanosine monophosphate3',5' cyclic GMPME308637-C00942246.3385328.036658
3.alpha.-Mannobiose-ME308634--373.74325.1115267
3-Aminobenzoic acid-ME308177--344.245120.04305
3-Aminobutanoic acid3-Aminobutyric acidME30825110932-373.632164.0901677
3-Butynoic acid3-Butynoic acidME308184-C06144108.263126.0536404
(3-Carboxypropyl)trimethylammonium cation3-DehydroxycarnitineME308215--314.647146.1161744
3-Furancarboxylic acid3-Furoic acidME308190--118.487130.048451
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME30827886C0063245.905176.0360301
3-Hydroxybenzoate3-Hydroxybenzoic acidME3083267420C00587223.087202.0432154
3-Hydroxydodecanoic acid3-Hydroxydodecanoic acidME30846294216-27.165258.2072214
3-Indoleacetonitrile3-IndoleacetonitrileME308367-C02938133.531220.0804455
3-Mercaptopyruvic acid3-Mercaptopyruvic acidME30824598C00957250.498162.0181101
3-Methylglutaric acidMethylglutaric acidME30829812284-348.0775188.0902973
3-Methylhistamine3-MethylhistamineME30849969520C05127245.0335273.179586
3-Methylhistidine3-MethylhistidineME30826264969C01152358.9025170.0909481
3-Methylindole3-MethylindoleME3085246736C08313206.836280.1788684
3-(Methylthio)-1-propanol3-(Methylthio)-1-propanolME30815410448-189.1589.04079223
3-Methylthiopropionate3-Methyl-thiopropionic acidME308246563C08276212.0605162.0567881
3-MethyluridineN-3-MethyluridineME308377316991-272.518223.0732723
3'-O-methyladenosine3'-O-MethyladenosineME30852582530-141.917281.1149409
3'-O-methylcytidine5-MethylcytidineME30841292918-136.426240.0940654
3'-O-methyluridine3-MethyluridineME308633316991-406.8075325.0417638
4-(4-Chlorophenyl)-4-hydroxypiperidine-ME308279--245.781176.0642679
4-Aminophenol4-AminophenolME308276996C02372207.0405176.0092782
4-Guanidinobutyric acid4-Guanidinobutanoic acidME308214500C01035337.4715146.0911097
4-Hexen-1-ol, (E)--ME308211--85.484145.0593694
4-Hydroxycinnamic acidcis-p-Coumaric acidME308217637542C00811281.669147.0425644
4-Isopropylbenzoic acid4-Isopropylbenzoic acidME308379--394.36225.1151729
4-Nitroquinoline-1-oxide4-Nitroquinoline N-oxideME308393--351.321232.0736782
4-Oxoretinol4-OxoretinolME3085845289090C1668346.07301.2147355
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahex...DHAME308715445580C0642947.673367.2059125
5,2'-O-dimethylcytidine-ME308804--218.127560.2799228
5-Aminopentanoic acid5-Aminopentanoic acidME308238138C0043189.986159.1114701
5'-Deoxyadenosine5'-DeoxyadenosineME308798439182C05198376.8955541.1712583
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME3083061826C05635242.0295192.0641301
5-Hydroxymethylcytidine-ME308454--390.1025256.0930326
5-L-Glutamyl-L-alaninegamma-GlutamylalanineME308401440103C03740136.9165236.1229214
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME30848118986C05660376.1325266.1041029
5-Methyl-5,6-DihydrouracilDihydrothymineME308520--299.445279.10901
5-Methylcytidine5-MethylcytidineME30850892918-404.6315275.1335993
5-Methylcytosine5-MethylcytosineME30818565040C02376231.1255126.0647518
6-BenzylaminopurineCytokinin BME308381--286.797226.1034917
6-Hydroxydopamine6-HydroxydopamineME3082614624-274.5085170.0772874
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME30851972924C01020250.558279.0666625
7,8-Dihydrobiopterin-ME308376252C0295345.0755222.0971018
7-Methylxanthine7-MethylxanthineME30869068374C16353246.449350.1361523
7-Oxocholesterol7-Oxo-cholesterolME308738--32.17383.3286121
9-cis-Retinal9-cis-RetinalME3086806436082C1668145.8445345.2403767
9-Decen-1-ol-ME308269--152.446174.1836951
AbacavirAbacavirME308710441300C07624314.9795363.0681484
Acadesine (Drug)AcadesineME308457-C04663159.094258.0934829
AceclidineAceclidineME308347--333.9155211.1431933
Acetoacetic acidAcetoacetic acidME30815296C00164286.96485.02738297
AcetylcarnitineCAR 2:0ME3083321C02571286.955204.1225037
AcetylcholineAcetylcholineME308337187C01996277.065206.137069
Acetyl-DL-Valine-ME308240--226.539160.0960481
AcetylglycineN-AcetylglycineME30815810972-320.713100.038235
AcyclovirAciclovirME308547-C06810245.902289.1001689
AdenineAdenineME308199190C00147153.198136.0606383
AdenosineAdenosineME30848660961C00212140.7415268.1025746
Adenosine 2',3'-cyclic monophosphate2',3' cyclic AMPME3087466076-362.297393.0677017
Adenosine monophosphate (AMP)AMPME3086836083C00020412.663348.0692076
ADP-riboseADP-riboseME308799192C00301410.8895542.0655656
AFMKAcetyl-N-formyl-5-methoxykynurenamineME308792-C05642113.613529.220248
AG-17-ME308534--106.777283.174805
AgomelatineAgomelatineME30841782148-349.6625244.1277299
Ajmalicine-ME308694-C09024245.177353.1902995
Ala-AlaAla-AlaME308208-C00993107.271143.080152
Ala-GlnAla-GlnME308526--301.684281.1244793
Ala-GluAla-GluME308362--395.0425219.0960946
Ala-LeuAla-LeuME308292--49.61185.1273379
Ala-LysAla-LysME308360--415.608218.1484228
Ala-PheAla-PheME308405--217.851237.1219458
Ala-ProAla-ProME308294--221.34186.0968928
Ala-SerAla-SerME308359--99.936218.1117085
Ala-ThrAla-ThrME308304--308.346191.1010876
Ala-ValAla-ValME308300--375.272189.1218831
all cis-(6,9,12)-Linolenic acid-ME308575--35.9285296.2571557
Alpha-D-Glucose 1,6-bisphosphateGlucose 1,6-bisphosphateME30873682400C01231426.032382.027964
alpha-Guanidinoglutaric Acidalpha-Guanidinoglutaric acidME308397--148.256234.0416536
alpha-ketoglutarateOxoglutaric acidME30856025775C00026374.344293.0450615
.alpha.-L-Glu-L-Asp-ME308583--249.135301.0457748
AltretamineAltretamineME3084432123-107.955252.1939551
AmitriptylineAmitriptylineME308517--74.271277.1785183
AnisomycinAnisomycinME308388--221.041230.1196649
Anthranilic acid (Vitamin L1)2-Aminobenzoic acidME308275227C00108268.715176.0093287
Arachidonic Acid (peroxide free)Arachidonic acidME308598444899C0021945.381305.2456912
ArachidonoylglycineN-Arachidonoyl glycineME308707--261.1995361.2536863
ArecolineArecolineME3086482230C10129141.8365333.1752514
Arg-AlaArg-AlaME308423--290.3365245.1485881
Arg-AspArg-AspME308554--338.794290.1487217
Arg-CysArg-CysME308671--319.741341.1440244
Arg-GlnArg-GlnME308590--419.083303.1757926
Arg-GluArg-GluME308714--265.553367.1704804
Arg-IleArg-IleME308545--349.032288.201352
Argininosuccinic acidArgininosuccinic acidME30855716950C03406381.413291.136622
Arg-PheArg-PheME308627--318.431322.18541
Arg-SerArg-SerME308625--443.457322.1744666
Arg-ThrArg-ThrME308659--245.2415336.1897685
Arg-TyrArg-TyrME308664--437.5555337.170182
Arg-ValArg-ValME308504--360.336274.1857288
Asp-ArgAsp-ArgME308553--422.998290.144218
Asp-ThrAsp-ThrME308355--142.836217.0805086
Azelaic acidAzelaic acidME3083822266C08261347.497227.0654296
BebeerineBebeerineME308817--395.3425655.2956402
Benomyl-ME308698--206.394357.0909816
BenzoylecgonineBenzoyl ecgonineME308452442997C10847129.6785254.1157563
BenzylazaniumBenzylamineME308449--137.6315253.1107409
BestatinBestatinME308756--89.303423.0535878
beta-Alaninebeta-AlanineME308156-C00099345.78390.05394416
.beta.-Cyano-L-alanine-ME308271--202.323175.0698005
.beta.-Homoproline-ME308267--123.3165174.0494788
BetaineBetaineME308174247C00719254.1275118.0859808
Betaine aldehydeBetaine aldehydeME308249249C00576287.437162.1113688
beta-Octylglucosidebeta-OctylglucosideME308717--238.53369.1105287
Bethanechol cation-ME308407--154.727238.0532244
BiliverdinBiliverdinME3088105353439C0050039.227583.2517162
BiopterinBiopterinME308408445040C06313242.1565238.0919397
BupropionBupropionME308410444C06860288.576239.1014637
CaffeineCaffeineME308758-C07481214.5735427.1312011
Cannabidiol-ME308761--401.9515429.09884
Caproic acidCaproic acidME3082343246938C01585317.061158.1161717
CarbamazepineCarbamazepineME308518-C06868140.957278.1330734
CarbarylCarbarylME308328--40.832202.0846414
CarvoneCarvoneME308630--303.845323.2062721
CelastrolCelastrolME308763122724-33.1855433.2713625
ChlorpromazineChlorpromazineME3086152726-348.857319.1096362
CholineCholineME308162305C00114366.6755104.1058544
CimetidineCimetidineME308566--364.5495294.1435445
cis-9-Palmitoleic acidPalmitoleic acidME308497445638C08362100.439272.2569133
Citramalic acidCitramalic acidME3082221081C00815173.644149.0441086
CitrateCitric acidME308344311C0015868.4015210.0605897
ClofibrateClofibrateME3085412796C06916397.329287.0382874
Compactin-ME308722--215.9395373.2429199
CoumarinCoumarinME308216323C0585138.6655147.045836
CreatineCreatineME308193586C00300238.8255132.0793706
Crotonic acidCrotonic acidME308264--239.427173.0794223
CyclohexylamineCyclohexylamineME3082067965C00571213.2825141.1372505
CyclopamineCyclopamineME308777--399.469478.2636868
CytidineCytidineME3087856175C00475226.863509.1578062
Cytidine 5'-diphosphocholine (CDP-choline)Cytidine 5'-diphosphocholineME30878113804C00307424.0555489.1121924
CytosineCytosineME308166597C00380194.932112.0494227
D-Alanyl-D-alanine (D-Ala-D-Ala)-ME3082435460362C0099338.212161.0944965
D-Aspartic acidD-Aspartic acidME30819583887C00402385.392134.0435366
D-BiotinBiotinME308472171548C00120381.649262.1277568
Decanoyl-L-carnitineCAR 10:0ME308611--173.085316.2468739
Dehydroabietic acidDehydroabietic acidME308582--423.598300.2014711
DeoxyadenosineDeoxyadenosineME30844113730C00212137.629252.1082261
Deoxycholic acidDeoxycholic acidME308700222528C04483319.295357.2838236
DeoxycytidineDeoxycytidineME30838413711C00881318.365228.0980527
DeoxyguanosineDeoxyguanosineME308550187790C00330215.481290.0845268
DeoxyinosineDeoxyinosineME30844465058C05512207.0305253.0933807
Deoxythymidine 5'-phosphate (dTMP)dTMPME3086779700C00364397.1295345.0415681
DesipramineDesipramineME3086472995C06943415.105333.1389685
DesmosterolDesmosterolME308742439577C0180231.8035385.3451663
Desoxypeganine3-DeoxyvasicineME308678--114.9695345.2115531
DextromethorphanDextromethorphanME308646--49332.2173008
D-GalactarateGalactaric acidME308440607C00818381.1085252.071142
D-GlucarateGlucaric acidME308383607C00818347.497228.0684435
D-Glucose 6-phosphateGlucose 6-phosphateME3085875958C00092266.24302.0676668
D-GlucuronateGlucuronic acidME308453444791C00191295.348255.0726746
Diaminopimelic acid2,6-Diaminopimelic acidME308230439283C00666288.607155.0800353
DiethanolamineDiethanolamineME3081648113C06772291.157106.085299
Diethylcarbamazine-ME308482-C07968109.923266.1220529
Dihydro-4,4-dimethyl-2,3-furandione2-DehydropantolactoneME308501--257.46274.1228114
DihydrocapsaicinDihydrocapsaicinME308681--227.893346.1775333
Dihydrolipoate (dihydrolipoic acid)(R)-Dihydrolipoic acidME308341421C02147285.659208.0621907
DimethylbenzimidazoleDimethylbenzimidazoleME308563675C03114213.961293.1692488
Dimethylformamide-ME308149--96.18974.05920702
DimethylglycineDimethylglycineME308161673C01026283.544104.0697015
DiosminDiosminME308815--293.051626.2025001
DL-2,4-Diaminobutyric acid-ME308151--320.71583.05944281
DL-2-Aminoadipic acidAminoadipic acidME308247469C00956390.818162.0746242
DL-2-Phosphoglycerate2-Phosphoglyceric acidME30843059-102.19247.0190492
DL-3-Hydroxybutyric acid3-Hydroxybutyric acidME308153441C01089356.89387.04301559
DL-.alpha.-Phenylglycine-ME308618--46.768320.1618678
DL-HomoserineHomoserineME308242--98.7195161.0907905
DL-Indole-3-lactic acidIndolelactic acidME308297--239.347188.06942
DL-Methionine sulfoxideMethionine sulfoxideME30825321100C05588347.99166.0517428
DL-Vanillylmandelic acidD-SerineME30847071077C05584391.857262.072816
D-MaltoseMaltoseME30867510991489C00208431.509343.1220662
D-MannitolMannitolME3087436251C00392373.7415387.1380762
D-MannoseMannoseME30870618950C00159385.996361.136116
D-Mannose 1-phosphateMannose 1-phosphateME308620644175C00636292.42321.0569897
Dodecanoic acidLauric acidME3083613893C0253066.733218.2099167
DopamineDopamineME308173681C0375849.665118.0636562
D-OrnithineD-OrnithineME30826871082C00515294.5645174.1226454
D-RiboseRiboseME3082245779C00121101.449150.0535474
D-Sorbitol 6-phosphate-ME308668-C01096365.029339.0739088
Eicosapentaenoic acidEicosapentaenoic acidME308591446284C0642846.9175303.2300389
Eicosapentaenoic Acid ethyl ester-ME308718--39.991369.2251984
Enalaprilat-ME308688--326.943349.1773587
epsilon-Captrolactone-ME308232--346.5385156.1002798
ErgothioneineErgothioneineME3087765351619C05570319.148478.2149506
Erucamide13-DocosenamideME308667--33.114338.3401607
ErythritolErythritolME308210222285C00503286.9135145.0480406
Erythrono-1,4-lactoneErythrono-1,4-lactoneME308286--190.912182.0466877
Ethionamide-ME3083872761171C07665245.84230.0684616
Ethyl glucuronideEthyl glucuronideME30853118392195-293.64283.1041041
Ethylmalonic acidEthylmalonic acidME30852711756-383.051282.1170537
EtodolacEtodolacME3086853308C0699188.58348.1746343
Famciclovir-ME308737--43.7565382.1747535
FexofenadineFexofenadineME308832-C06999171.5671025.552562
Fisetin-ME308689--410.753350.0703412
Flavin adenine dinucleotide (FAD)FADME308824643975C00016380.124786.1616571
Flavin mononucleotide (FMN)FMNME308768643976C00061390.7715457.1092847
FlavoneFlavoneME30837810680C10043433.251223.0806485
FlucytosineFlucytosineME3085763366-338.613297.0298292
Flumequine-ME3087973374-420.718540.1882973
FluoxetineFluoxetineME308720--407.8875370.1690777
Formylanthranilic acidFormylanthranilic acidME308380101399C05653108.5685226.0672047
Gaboxadol-ME308205--100.552141.0643975
.gamma.-L-Glu-.epsilon.-L-Lys-ME308673--248.51342.1072215
gamma-L-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME30851492865C05282443.1955277.1015265
gamma-L-Glutamyl-L-valine-ME3083865317736-360.096229.1171992
gamma-Tocopherolgamma-TocopherolME308778-C02483366.129483.3145851
gamma-Tocotrienolgamma-TocotrienolME308780-C14155352.791487.2387631
Glucosaminic acidGlucosaminic acidME308314--340.014196.0783428
Glu-ProGlu-ProME308473--151.6425262.1384055
Glutaconic acidGlutaconic acidME3081915280498C02214379.701131.0326288
GlutaraldehydeGlutaralME308325--313.932201.1153283
Glutaric acidGlutaric acidME308528743C00489129.522282.1182767
Glutathione disulfideOxidized glutathioneME308813975C00127476.348613.1564329
Glu-ThrGlu-ThrME308495--289.4335271.0888837
Gly-ArgGly-ArgME308394--419.0035232.1386822
Glycerophosphocholinesn-Glycero-3-phosphocholineME30845971920C00670366.6255258.1097528
GlycineGlycineME308171750C00037341.5935117.0645305
GlycogenGlycogenME308821439177C0036927.87684.2616789
Glycyl-L-leucineGly-LeuME30872792843C02155273.79377.2484113
GlycylprolineGly-ProME30839579101-410.1385233.1121092
Gly-GlnGly-GlnME308293--98.4385186.0858152
Gly-LysGly-LysME308432--369.062248.0937622
Gly-SerGly-SerME308285--362.363180.1004002
Gly-ValGly-ValME308233--93.971157.0957137
Guanidineacetic acidGuanidoacetic acidME308237-C0058169.5205159.0901817
GuanosineGuanosineME3085366802C00387285.508284.0977155
HarmaneHarmanME308289--43.061183.0899679
HarmineHarmineME3083895280953C06538329.924230.1234061
HarpagosideHarpagosideME308795--27.424536.2136584
Heptadecanoic acidMargaric acidME30854610465-49.676288.2880943
HexanoylglycineHexanoylglycineME30835299463-48.865215.1380244
Hippuric acid, methyl ester-ME308346--77.955211.1062094
His-AlaHis-AlaME308487--48.143268.1358158
His-AspHis-AspME308561--376.8815293.0829682
His-GluHis-GluME308538--313.7005285.1185075
His-GlyHis-GlyME308510--310.514276.1020673
His-HisHis-HisME308562--313.533293.1329552
His-IleHis-IleME308492--277.089269.159389
His-MetHis-MetME308542--474.347287.1153953
His-PheHis-PheME308716--294.7115369.0870354
His-ProHis-ProME308567--225.406294.1575181
HistamineHistamineME308167774C00388360.09112.085642
His-TyrHis-TyrME308658--157.559336.1689834
Homoveratric acidHomoveratric acidME3083127139-246.597196.071905
HypotaurineHypotaurineME308165107812C00519324.252110.0259097
HypoxanthineHypoxanthineME308201790C00262140.535137.0444168
IBMX-ME308581--373.6535299.0265839
IbuprofenIbuprofenME3087623672C01588247.132430.3002356
Ile-AlaIle-AlaME308330--44.641203.1384808
Ile-ArgIle-ArgME308544--313.9125288.2016285
Ile-AsnIle-AsnME308422--42.907245.1354313
Ile-AspIle-AspME308793--126.049531.1991622
Ile-CysIle-CysME308442--362.3095252.1433322
Ile-GluIle-GluME308788--288.777521.2911905
Ile-IleIle-IleME308424--172.9825245.184509
Ile-LysIle-LysME308796--174.364536.4041581
Ile-MetIle-MetME308806--482.2755563.245945
Ile-PheIle-PheME308521--160.3635279.1687225
Ile-ProIle-ProME308494--469.1975270.1797165
Ile-SerIle-SerME308466--268.095260.1593901
Ile-ThrIle-ThrME308502--87.789274.1751999
Ile-TrpIle-TrpME308613--354.324318.1753295
Ile-TyrIle-TyrME308702--360.7995358.1704671
Ile-ValIle-ValME308558--122.5755291.1941094
ImidazoleImidazoleME308188795C01589320.816129.0650371
Imidazoleacetic acidImidazoleacetic acidME30818696215C02835304.441127.049007
Iminodiacetic acidIminodiacetateME3083188897C19911263.064197.0573243
IndoleIndoleME308172798C00463223.059118.0638366
Indole-3-pyruvic acidIndolepyruvateME3083700C00331276.445221.0905113
Indoleacetic acidIndoleacetic acidME308310802C00954128.633193.095556
Indoleacrylic acidIndoleacrylic acidME30872315030923-148.2575375.1279874
InosineInosineME3084906021C00294205.162269.0870177
Inosine 5'-monophosphate (IMP)IMPME3086868582C00130430.123349.0527915
IS-ME308322--223.0655200.0463695
isocarboxazid-ME308559--93.7145292.1310778
IsomaltoseIsomaltoseME308705439193C00252393.094360.148221
Isopentenyl pyrophosphateIsopentenyl-diphosphateME3086001195-266.168307.0309294
IsovalerylglycineIsovalerylglycineME308239546304-316.797160.0953893
Jasmine lactone-ME3086656438070-137.525337.2356483
KinetinKinetinME308511--206.422276.1045639
L-AlanineAlanineME3081555950C0004180.52190.05405532
L-ArabinoseLyxoseME308226439195C00259103.382151.0580069
L-ArginineArginineME3082726322C00062566.765175.1179859
L-Aspartyl-L-phenylalanineAsp-PheME30874793078-103.258394.9762101
Lavandulol-ME308644--168.625331.2655549
L-CarnitineCarnitineME3082482724480C00318334.893162.1120782
L-CitrullineCitrullineME3082809750C00327369.893176.101432
Leu-GluLeu-GluME308621--45.093321.1663375
Leu-IleLeu-IleME308784--182.4095506.4021411
Leu-LeuLeu-LeuME308425--38.0465245.1851559
Leu-SerLeu-SerME308465--51.014260.1591134
Leu-ThrLeu-ThrME308396--224.0355233.148252
Leu-TrpLeu-TrpME308614--170.113318.1795966
Leu-TyrLeu-TyrME308571--192.124295.1636348
Leu-ValLeu-ValME308568--310.2645294.1795406
Levulinic acidLevulinic acidME30843811579-364.547250.1271251
L-FucitolFucitolME308342--138.803208.1161842
L-FucoseFucoseME30833617106C01019370.5055206.1008634
L-GlutamateGlutamic acidME30822033032C00025379.791148.05993
L-GlutamineGlutamineME3082185961C00064249.111147.0750342
L-HistidineHistidineME3082316274C00135362.922156.0753032
L-Histidinol phosphateL-Histidinol phosphateME308480792C01100325.425266.0246307
L-homocysteic acidHomocysteic acidME308290177491C16511341.018184.0258688
Linalool oxide-ME308351--129.0485215.1012545
Linoleic acidLinoleic acidME3085805280450C0159535.654298.2721805
LisinoprilLisinoprilME3087725362119-145.305472.1721028
L-KynurenineKynurenineME308343161166C00328241.888209.0904435
L-LeucineLeucineME3081946106C00123243.674132.1010852
L-leucyl-L-prolineLeu-ProME308548--72.4845289.1783228
L-LysineLysineME3082195962C00047492.9535147.1113186
L-MethionineMethionineME3082256137C00073264.349150.0567658
L-NG-Monomethylarginine-ME308390--283.596230.1567496
L-NorleucineNorleucineME30830821236C01933248.555192.1215736
Lomefloxacin-ME308651--73.1334.1412969
L-PalmitoylcarnitineCAR(16:0)ME30875011953816C02990155.6285400.3413412
L-PhenylalaninePhenylalanineME3082546140C00079163.196166.0846709
L-ProlineProlineME308170145742C00148307.581116.0695154
L-Pyroglutamic acidPyroglutamic acidME3083027405C01879373.015190.068865
L-SaccharopineSaccharopineME308674160556C00449326.4845343.0912468
L-ThreonateThreonic acidME308198-C01620268.7665136.0378103
L-ThreonineThreonineME3082846288C00188375.238180.0850649
L-TyrosineTyrosineME3082876057C00082183.311182.0798726
L-ValineValineME3084566287C0018388.008257.1481605
Lys-AsnLys-AsnME308464--353.5165260.1490014
Lys-AspLys-AspME308638--337.0335328.0802017
Lys-CysLys-CysME308610--424.428316.0648086
Lys-GlyLys-GlyME308333--146.821204.1329182
Lys-IleLys-IleME308415--52.2925242.1847236
Lys-LeuLys-LeuME308467--504.163260.1946139
Lys-LysLys-LysME308672--371.824341.1551216
Lyso-PAF C-18-ME308791--118.231528.4227378
Lys-PheLys-PheME308696--466.057354.2084361
Lys-ProLys-ProME308418--450.278244.1643476
Lys-SerLys-SerME308320--36.184198.1192443
Lys-ThrLys-ThrME308349--318.428212.1377378
Lys-TrpLys-TrpME308649--343.023333.1940958
Lys-ValLys-ValME308601--316.56309.1905769
Malonic acidMalonic acidME308213867C00383401.8555146.043429
MaltopentaoseMaltopentaoseME30883013489094-488.593829.2794353
MaltotetraoseMaltotetraoseME308816439639C02052475.533649.2162391
MaltotrioseMaltotrioseME308789439586C01835442.837522.2002843
Mandelonitrile2-Hydroxy-2-phenylacetonitrileME3085959548674C00561354.88305.0649587
Matairesinol-ME308822345761C10682447.835755.2653039
Mebendazole-ME3086624030-38.029337.1225188
Meclofenoxate-ME308458--181.476258.0935071
(-)-Medicarpin-ME308650--467.482334.1049919
MefloquineMefloquineME308730--348.7235379.1193517
MeloxicamMeloxicamME308691--339.4705351.0379255
MestranolMestranolME3085646291C0761835.783293.1849608
Met-AlaMet-AlaME308371--114.186221.0904247
Metaproterenol-ME308509--352.702275.1333473
Met-CysMet-CysME308493--394.289270.099269
MethacholineMethacholineME308704--45.514359.2277466
(+)-MethamphetamineMethamphetamineME308263--160.461172.1108329
Methoprene (S)MethopreneME308603--41.243311.2563675
Methyl acetoacetateMethylacetoacetic acidME308196--47.901134.0798328
Methylmalonic acidMethylmalonic acidME308175487C02170160.996119.0337411
MethysergideMethysergideME308721--287.7085371.23806
Met-ThrMet-ThrME308439--50.334251.1043884
Met-TyrMet-TyrME308570--37.273295.1150532
Met-ValMet-ValME308434--326.7785248.1222366
MetyraponeMetyraponeME3084894174C14818377.876268.1387646
(+-)-MevalonolactoneMevalonolactoneME308221--305.8945148.095542
MexiletineMexiletineME308358--271.289218.0927246
Miconazole-ME308753--350.5325414.9992305
MimosineMimosineME308353--351.279216.096274
Monoethylglycylxylidide (MEGX)-ME308420--313.932245.1054729
Monomethyl glutaric acidMonomethyl glutaric acidME30864273917-222.1075331.0756242
(+)-Muscarine cation-ME308744--216.0415387.2584627
Myristic acidMyristic acidME30842911005C0642455.466246.2413742
N1-AcetylspermineN1-AcetylspermineME308549916C02567314.0845289.2046255
N1,N12-DiacetylspermineN1,N12-DiacetylspermineME308643--374.109331.206955
N2-Acetyl-L-ornithineN-AcetylornithineME308414439232C00437411.6525241.0577839
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME30860592919-379.102312.1255096
N6-Acetyl-L-lysineN6-AcetyllysineME30834592832C02727134.517211.1062731
N6-Methyl-L-lysineN(6)-MethyllysineME308244164795C02728288.9635161.1269503
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME308301440120C03793496.5895189.1595212
N-Acetylaspartylglutamate (NAAG)N-Acetyl-Asp-GluME3085965255C12270427.2505305.0967539
N-AcetylcadaverineN-AcetylcadaverineME308212189087-288.85145.1320783
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME30848314035695C0107445.8955266.1736491
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME308375439174C00140244.302222.0962273
N-Acetyl-D-Glucosamine 6-PhosphateN-Acetyl-glucosamine 6-phosphateME308535440996C00357433.947284.051505
N-Acetyl-D-lactosamine-ME308684--286.069348.1245435
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME308586445675-349.7575302.0622603
N-AcetylglucosaminylasparagineAspartylglycosamineME308701--385.021358.1247246
N-Acetyl-L-alanineN-AcetylalanineME30827788064-222.1595176.0338341
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME30835465065C01042319.4935217.0817094
N-Acetyl-L-tyrosineN-AcetyltyrosineME30848568310C0165789.656268.0623531
N-AcetylmannosamineN-Acetyl-mannosamineME30837411096158C00645131.722222.0969819
N-AcetylputrescineN-AcetylputrescineME308305122356C0271445.647191.1416012
N-AcetylserotoninN-AcetylserotoninME308363903C00978149.784219.1112442
NafcillinNafcillinME308731--324.817379.1194832
Nalidixic acidNalidixic acidME308770--312.9145465.1690703
N-.alpha.-Acetyl-L-arginineN-AcetylarginineME308356--350.377217.128491
Nateglinide-ME308734--46.731381.2224672
N-BenzyloxycarbonylglycineN-BenzyloxycarbonylglycineME308307-C0371049.624192.0641307
N-carbamoyl-L-aspartateCarbamoylaspartateME30835793072C00438319.491218.0745065
N-CarbamylglutamateCarglumic acidME308754-C05829406.6495419.0871716
N-Desmethyldiazepam (Nordazepam)-ME308609--425.0425315.0309549
N-Desmethylselegiline-ME308719--242.2745369.2313294
Neolinustatin-ME308757--283.7015423.1828604
N-epsilon,N-epsilon,N-epsilon-TrimethyllysineN-6-TrimethyllysineME308450--263.635253.1759834
N-FormylmethionineN-FormylmethionineME3083736995182C03145186.874222.0160843
NG,NG-dimethyl-L-arginine(ADMA)-ME308331--464.567203.1491364
NicorandilNicorandilME308445--241.587253.0991883
NicotinamideNiacinamideME308181936C0015361.872123.0540729
Nicotinamide adenine dinucleotide (NAD)NAD+ME3088185893C00003416.899664.1134173
Nicotinate D-ribonucleotideNicotinic acid mononucleotideME30865553477721C01185448.807336.0461833
NicotineNicotineME308250942C0074579.413163.1215174
Nicotinic acid adenine dinucleotide (NAAD)Nicotinic acid adenine dinucleotideME308819165491-425.485665.0973357
Nicotinyl-ME308274--160.324176.0034918
Niflumic AcidNiflumic acidME308530--172.933283.0731112
Nitrobenzene-ME308163--206.8315106.0274827
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME308259--111.831170.0432698
N-MethylhydantoinN-MethylhydantoinME308270-C02565119.4085175.0697794
N-Methyl-L-glutamateN-Methyl-glutamic acidME308335--143.886206.0442247
N-MethyltyramineN-MethyltyramineME308313-C02442378.983196.0717363
N,N'-DiacetylchitobioseN,N'-DiacetylchitobioseME30883122833609C01674456.002849.3438413
N,N-DimethylanilineN,N-DimethylanilineME308180949C02846616.652122.0948696
N-(omega)-Hydroxyarginine-ME308451440849C0593349.64254.1200583
Norepinephrine (noradrenaline)Xi-NorepinephrineME308670--34.892339.1606685
NorfloxacinNorfloxacinME3086174539C06687122.345320.1435632
Norharmanebeta-CarbolineME308703--288.969359.1226755
norpropoxypheneNorpropoxypheneME308712--378.373364.163122
NortriptylineNortriptylineME3084764543C0727435.2685263.1625901
N-PalmitoylsphingosineCer 18:1;O2/16:0ME308787-C0019533.924520.5056066
N-PhenylacetamideN-AcetylarylamineME308317904C07565254.979196.0996634
n-Propyl cinnamate-ME308266--27.158173.0998521
N-Tigloylglycine-ME308283--98.497180.0671501
N-Tris[hydroxymethyl]methyl-2-aminoethanesulfonic ...-ME308774--451.949476.1676603
O-Acetyl-L-serineO-AcetylserineME30826099478C00979379.832170.0409879
OrnithineOrnithineME3083166262C01602326.4935196.1065111
Oxaprozin-ME308654--325.245335.1432802
OxyphencyclimineOxyphencyclimineME308679--358.7805345.2226334
p-Acetamidophenol (Acetaminophen, Tylenol)-ME308635--431.6575325.1116434
Palmitic acidPalmitic acidME308505985C0024952.2785274.2737893
PantoprazolePantoprazoleME308739--410.8035384.0754669
PantothenatePantothenic acidME308368988C00864258.7065220.1165794
PantothenolPantothenolME3083384678C0594474.797206.1369825
Papaverine-ME3087324680C06533150.0925381.1749141
Pargyline-ME3086604688C0741443.741336.2515475
PC(16:0/16:0)PC 16:0/16:0ME308827452110C00157181.4045810.4688695
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)...PC 20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)*ME308829-C00157116.726826.5340911
p-CHLOROPHENYLALANINE-ME308323--288.837200.0473568
Pectin (Galacturonic acid)Galacturonic acidME308348441476C08348133.8065212.0762976
Pelargonic acidPelargonic acidME3082358158C01601199.404158.1273136
Pelletierine-ME308329-C06182219.893202.1423224
Pentadecanoic AcidPentadecylic acidME30846813849C1653753.5345260.2569372
Phe-AlaPhe-AlaME308406--40.873237.1224157
Phe-ArgPhe-ArgME308626--291.859322.185705
Phe-AsnPhe-AsnME308812--345.9325597.2142005
Phe-AspPhe-AspME308624--288.505322.1361918
Phe-GlnPhe-GlnME308565--245.071294.1432523
Phe-GluPhe-GluME308657--132.384336.1568642
Phe-GlyPhe-GlyME308413--34.167240.1297758
Phe-IlePhe-IleME308522--36.484279.1689025
PhenacetinePhenacetinME308725--235.1535376.2173446
Phenelzine-ME308236--239.5865159.0902033
Phenethyl Caffeiate-ME308588--121.106302.133337
PhenolPhenolME308204996C00146324.015139.0139277
Phenoxybenzamine-ME308592--241.21304.1492376
Phenylacetic acidPhenylacetic acidME308552-C07086108.5615290.1406591
PhenylethylaminePhenylethylamineME3081791001C05332159.112122.0949776
Phenyllactic acidPhenyllactic acidME3081923848-239.084131.0477345
PhenylpropionylglycinePhenylpropionylglycineME308426152323-305.866246.0548752
Phe-SerPhe-SerME308400--171.142235.109623
Phe-ThrPhe-ThrME308484--48.321267.1328525
Phe-TrpPhe-TrpME308692--157.031352.1635158
Phe-TyrPhe-TyrME308640--176.169329.1483601
Phe-ValPhe-ValME308802--286.6925551.290421
Phosphoglycolic acidPhosphoglycolic acidME308652529C00988445.433335.0590279
PhosphorylcholineCholine phosphateME3082911014C00588466.741184.0728128
Phthalic acid Mono-2-ethylhexyl EsterMonoethylhexyl phthalic acidME308574--52.6265296.1918084
Picolinic acidPicolinic acidME3081821018C10164207.0305124.0379202
PinacidilPindacME308623--402.207322.0755268
PiracetamPiracetamME308628--161.107323.1073804
PregabalinPregabalinME308699--146.7165357.2114816
PregnenolonePregnenoloneME30872853477678C0195334.953377.266221
PrilocainePrilocaineME308369--249.85220.1528667
PrimaquinePrimaquineME308656--366.6685336.0859828
Pro-AlaPro-AlaME308295--321.842187.1066518
Pro-ArgPro-ArgME308496--499.812271.163225
Pro-AsnPro-AsnME308500--264.918274.0729595
Pro-AspPro-AspME308391--123.236231.0960523
ProcaineProcaineME3084024914C07375353.262236.1487987
ProgesteroneProgesteroneME3087335994C00410236.922381.1796334
Pro-GlnPro-GlnME308540--363.963285.1626195
Pro-GluPro-GluME308421--398.4725245.1120951
Pro-GlyPro-GlyME308350--129.091214.1172546
Pro-MetPro-MetME308427--314.036246.1082541
PromethazinePromethazineME3085394927C07404108.435285.1429226
Propazine-ME308431--182.6485247.1427159
Pro-PhePro-PheME308593--372.1705304.1603551
PropionylglycinePropionylglycineME30826598681-94.7745173.0907219
PropoxurPropoxurME308765--369.451441.2070259
PropoxypheneCaffeineME308741-C07481372.671384.1846455
Pro-SerPro-SerME308755--46.013422.2247142
Pro-ThrPro-ThrME308461--257.4615258.1487966
Pro-TrpPro-TrpME308631--387.371324.130326
Pro-TyrPro-TyrME308619--219.6545320.1682818
Pro-ValPro-ValME308455--78.2755256.1642099
PrunasinPrunasinME308663119033C00844474.0885337.1382906
PurinePurineME3084601044C15587154.13258.1150772
Pyridoxal (Vitamin B6)PyridoxalME3082561050C00250101.165168.0641012
Pyridoxamine (PM)PyridoxamineME3082581052C00534364.0805169.0956955
PyrocatecholPyrocatecholME308229289C00090189.188152.0691898
Pyroglutamic acidPyroglutamic acidME308189-C01879303.99130.0490512
PyrrolidinePyrrolidineME30814831268-282.22972.08005086
PyruvaldehydePyruvaldehydeME308169880C00546348.314114.0537427
Quadrone-ME308556--371.936290.1806992
Quinaldic acidQuinaldic acidME3087117124C06325290.1755364.1275425
QuinateQuinic acidME3084030C0029677.24237.0346347
(R)-3-Hydroxybutyric acid3R-Hydroxybutyric acidME30825792135C01089225.629168.0663096
RaffinoseRaffinoseME30880010542C00492425.463546.2004258
RanitidineRanitidineME308697--221.571356.1833996
(R)-(+)-Citronellic acidCitronellic acidME30839810402C16462224.108234.1514735
RetineneRetinalME308629638015C0037641.68323.1835564
Retinol (Vitamin A)RetinolME308693445354C0047333.92353.1760485
RibitolRibitolME308597-C00474344.9915305.1440421
RiboflavinRiboflavinME308726493570C00255199.943377.1448267
RibothymidineRibothymidineME308512445408-317.938276.1179466
(R)-mevalonic acid 5-Phosphate5-Phosphomevalonic acidME308385439400C01107101.1815228.1328925
RU-0211-ME308752--186.973408.248417
(S)-2-Hydroxyglutarate2-Hydroxyglutaric acidME308608439939C03196287.099314.1008049
SaccharopineSaccharopineME308516-C00449431.086277.1380282
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME308740439155C00021390384.1131976
S-AdenosylmethionineS-AdenosylmethionineME30874916757548C00019445.3865399.1424903
Salicylic acidSalicylic acidME308327338C0080596.2735202.0513272
SarcosineSarcosineME3083241088C00213276.945201.0853518
(S)-Citramalic acidCitramalic acidME308309-C02614222.199193.010548
Scopoline-ME308203--46.8005138.0897747
SepiapterinSepiapterinME30836665253C00835113.752220.0809645
Ser-AlaSer-AlaME3082810-85.497177.0861699
Ser-LeuSer-LeuME308365--323.6735219.132529
Ser-ProSer-ProME308474--325.395263.1224631
Ser-ThrSer-ThrME308340--320.658207.0959139
Ser-ValSer-ValME308296--146.649187.1063265
SimazineSimazineME308471--43.12262.1093352
Sinapyl alcoholSinapyl alcoholME3084355280507C02325286.874249.0538005
S-Methyl-5'-thioadenosine5'-MethylthioadenosineME308578439176C0017099.318298.0960924
sn-Glycerol 1-phosphate-ME308708-C00623210.334362.1833773
sn-Glycerol 3-phosphoethanolamine-ME3083195459861-374.65198.0511377
SotalolSotalolME308555--377.448290.1584556
Sphingomyelin (d18:1/18:0)SM 18:1;O2/18:0ME3088265283588C00550132.3725797.5487219
StachyoseStachyoseME308820439531C01613475.5715667.2265979
StavudineStavudineME30833918283C07312396.9735207.0749959
StearamideStearamideME30853731292C1384633.9735284.2926688
Stearic acidStearic acidME3086415281C01530182.8695329.2421305
Stearidonic AcidStearidonic acidME308569-C1630037.2075294.241057
StearoylcarnitineCAR(18:0)ME3087606426855-152.7345428.3707377
Suberic acidSuberic acidME30840910457C08278268.628238.1055949
SuberylglycineSuberylglycineME3084986453952-290.2945273.1431096
SulfacetamideSulfacetamideME3085075320-326.06275.072142
TaurineTaurineME3081831123C00245279.5515126.0215561
Taurolithocholic acidTaurolithocholic acidME30877953477716C02592121.695484.309743
TerfenadineTerfenadineME308773--291.0215472.3187002
Terpineol(R)-alpha-TerpineolME308282442501C1139346.013177.125947
TheaflavinTheaflavinME308807--480.7595564.1375279
TheophyllineTheophyllineME3084162153C07130244.909244.0786296
ThiamineThiamineME3084781130C00378328.364265.1105639
Thioetheramide-PCThioetheramide PCME308823--121.912780.5521133
Thr-AlaThr-AlaME308303--65.468191.101324
Thr-ArgThr-ArgME308513--325.927276.1626814
Thr-AspThr-AspME308399--391.063235.0910978
Thr-GluThr-GluME308436--387.816249.1069684
Thr-SerThr-SerME308433--129.71248.1227926
Thr-ThrThr-ThrME308372--95.852221.1120354
Thr-ValThr-ValME308529--284.9265282.1492149
ThymidineThymidineME3085895789C00214358.3835303.1222343
ThymineThymineME3081871135C00178101.499127.048822
ThymolThymolME308585--135.705301.2146509
Tolazoline-ME308241--278.128160.0955161
trans-2-Hydroxycinnamic acidtrans-o-Coumaric acidME308252-C01772281.5015165.0531434
trans-2-Octenoic acid, ethyl ester-ME308404--131.719237.088897
trans-2-Phenylcyclopropylamine-ME308273--294.606175.1252964
trans-cinnamatetrans-Cinnamic acidME308223444539C00423239.025149.0581637
trans-Vaccenic acidtrans-Vaccenic acidME3084795282761C0836733.87265.2511689
trans-Zeatintrans-ZeatinME308764-C00371125.698439.2273662
TriadimefonTriadimefonME308695--238.379354.1253986
TriethanolamineTriethanolamineME3086227618C06771144.422321.2055187
Triflupromazine-ME3086535568-245.749335.12639
TrigonellineTrigonellineME3085155570C01004268.739277.1142979
TrimeprazineTrimeprazineME308661--106.9215337.106011
Trimethobenzamide-ME308745--131.986389.2008897
TrimethoprimTrimethoprimME3085515578C01965140.569290.1330647
Trimethylamine N-oxideTrimethylamine N-oxideME3081501145C01104311.61976.074763
Trp-CysTrp-CysME308687--237.571349.1411738
TryptamineTryptamineME3086761150C0039843.847343.1887358
Tulobuterol-ME308437--238.601250.0921995
(-)-Tylocrebrine-ME308724--247.74376.1846693
Tyr-AlaTyr-AlaME308448--49.672253.1174724
TyramineTyramineME3081785610C00483238.9985120.0801341
Tyr-AspTyr-AspME308811--345.2045593.2132786
Tyr-GluTyr-GluME308602--248.4515311.1184623
Tyr-GlyTyr-GlyME308411--261.857239.1012298
Tyr-LeuTyr-LeuME308572--43.7815295.1639006
Tyr-MetTyr-MetME308604--162.165312.1074508
Tyr-ProTyr-ProME308669--160.4715339.162168
Tyr-SerTyr-SerME308803--367.538554.2527031
Tyr-ThrTyr-ThrME308533--64.0055283.1274368
Tyr-ValTyr-ValME308579--42.84298.1745753
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME308814445675C00043415.5475625.1122468
UracilUracilME3081681174C0010688.602113.033171
UridineUridineME3084196029C00299245.0065245.081313
Uridine 5'-diphosphate (UDP)UDPME3087666031C00015386.469446.0438692
Uridine 5'-monophosphate (UMP)UMPME3086326030C00105424.535325.0419417
(-)-Usnic acid-ME308636--249.872327.0853601
Val-AlaVal-AlaME308299--46.7585189.122656
Val-ArgVal-ArgME308503--339.0225274.1858267
Val-AsnVal-AsnME308769--140.595463.2522796
Val-GlnVal-GlnME308488--288.966268.1293245
Val-GluVal-GluME308491--161.6225269.1060449
Val-LeuVal-LeuME308392--40.0575231.169111
Val-MetVal-MetME308794--398.764535.2089926
Val-PheVal-PheME308809--93.171567.2565849
Val-ProVal-ProME308446--268.7075253.0929965
Val-SerVal-SerME308334--276.306205.1166615
Val-ThrVal-ThrME308364--52.899219.1325128
Val-TrpVal-TrpME308594--182.388304.1640634
Val-TyrVal-TyrME308475--39.582263.1406891
Val-ValVal-ValME308321--46.545199.1428961
VerapamilVerapamilME3087752520C0718841.1635477.2685516
Viloxazine-ME308607--307.435314.0525156
Vitamin D2 (Ergocalciferol)Vitamin D2ME3087485280793C0544131.813397.3441562
Xanthurenic acidXanthurenic acidME3087595699C02470205.162428.1156141
Zidovudine-ME308639-C07210367.7625328.1308578
ZingeroneZingeroneME308469--360.457261.052512
Zolmitriptan-ME308543--273.4185287.1565991


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,2-Diacetylhydrazine-ME308869-C16622310.273175.0693789
12-Oxo-2,3-dinor-10,15-phytodienoic acid-ME309075--180.4165527.3452864
1,3-Dimethyluric acid1,3-Dimethyluric acidME30889170346-263.33195.0538556
1,7-DimethylxanthineParaxanthineME3088744687C13747212.5315180.0610693
1-Deoxy-D-xylulose 5-phosphate1-Deoxy-D-xylulose 5-phosphateME308905443201C11437283.85213.0170787
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphatePA 16:0_18:2ME309083-C0041630.214671.4811075
1-Palmitoyl Lysophosphatidic Acid-ME309052--222.093409.2314903
2-Dehydro-3-deoxy-D-gluconateGluconolactoneME308922194024C00204217.1315237.0664062
2-Deoxy-D-glucose 6-phosphate2-Deoxy-D-glucose 6-phosphateME308931--345.991244.032635
2'-Deoxy-D-ribose2-Deoxy-riboseME30895622833604C01801268.962267.1112024
2'-Deoxyguanosine 5'-monophosphate (dGMP)dGMPME30902865059C00362430.2795347.056358
2-Deoxyribose 5-phosphateDeoxyribose 5-phosphateME30895945934311C0067348.761273.041496
2'-DeoxyuridineDeoxyuridineME30898013712C0052640.484287.0843151
2-keto-D-Gluconic acid2-Dehydro-D-gluconic acidME308938-C06473240.9425253.0619417
2-Oleoyl-1-stearoyl-sn-glycero-3-phosphoserinePS 18:0_18:1ME309084--124.156848.5558801
2'-O-Methyluridine2'-O-MethyluridineME308965316991-45.557279.0587529
2-Oxoadipic acidOxoadipic acidME30890971C0032287.2555219.0547891
2-Thiocytidine-ME308969--237.0375280.0306147
3,4-Dihydroxybenzoate (Protocatechuic acid)Protocatechuic acidME30886272C0023042.447170.0475332
3,4-Methylenedioxymethamphetamine (MDMA)3,4-MethylenedioxymethamphetamineME308918--326.533230.062784
3-Acetyl-11-keto-.beta.-boswellic acid-ME309071--183.904512.3613213
3-Aminopropanesulphonic AcidCerebrilME308895--44.898198.0486777
3-Hydroxycapric acid3-Hydroxydecanoic acidME30890326612-135.903209.1118892
3-Hydroxydodecanoic acid3-Hydroxydodecanoic acidME30896494216-30.3925275.1820048
3-Hydroxyisovaleric acid3-Hydroxyisovaleric acidME30885169362-211.7565155.0090349
3'-Hydroxyropivacaine-ME308981--79.679289.1946022
3-Indolepropionic acid3-Indolepropionic acidME308935--110.198248.0921389
3-methylcytidine3-MethylcytidineME308983--207.82294.0440065
3-Methylphenylacetic acid3-Methylphenylacetic acidME30885812121-239.508166.0844357
3-MethyluridineN-3-MethyluridineME308961316991-241.131274.1066907
3'-O-methyladenosine3'-O-MethyladenosineME30899182530-161.7155302.0812009
3'-O-methylguanosine3'-O-MethylguanosineME30900697217-246.553318.0759879
3'-O-Methylinosine1-MethylinosineME30899265095-354.049303.0658257
3-PhosphoserinePhosphoserineME308930106C01005379.372244.0254537
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahex...DHAME309017445580C06429121.6965327.2334547
5,2'-O-dimethyluridine-ME308982--137.299293.0687538
5,6,7,8-tetrahydro-2-Naphthoic Acid-ME309029--161.025351.1609465
5-Aminoimidazole-4-carboxamide5-Aminoimidazole-4-carboxamideME308843--316.3865142.0766076
5'-CMPCMPME309044-C00055425.963382.0708318
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME3088851826C05635229.982190.0524586
5-methoxytryptophan5-MethoxytryptophanME308920151018-287.041233.0890749
5'-O-methylthymidine-ME308923--29.992237.0913682
5-Oxo-ETE5-Oxo-ETEME309031--35.021355.1755712
5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide (...AICA ribonucleotideME30902165110C04677292.9645337.0608731
5(S),14(R)-Lipoxin B4Lipoxin B4ME309053-C06315165.2515411.2313318
5(S)-HETE5S-HETEME309033-C0480539.8485357.1904842
6-Phospho-D-gluconate6-Phosphogluconic acidME308941-C0034560.569257.0095941
7-Methylxanthine7-MethylxanthineME30891568374C16353253.864225.0658547
Abscisic Acid (cis,trans)Abscisic acidME308979--39.367285.1110777
Acadesine (Drug)AcadesineME308966-C04663100.424279.0701593
AcamprosateAcamprosateME30887771158-120.2425181.0451633
AcetylcarnitineCAR 2:0ME3089241C02571283.807240.066187
Acetyl phosphateAcetylphosphateME308842186C00227368.524138.9767983
Acetylvalerenolic acid-ME308960--39.7335273.1468376
AcyclovirAciclovirME308975-C06810245.9615284.0962024
Adenylsuccinic acidAdenylsuccinic acidME309064440122C0379429.501479.0892627
Adynerin-ME309073--172.453515.2999411
Aklomide-ME3089452075-60.606259.006649
AllantoinAllantoinME308866204C01551381.433174.0676424
alpha,alpha-TrehaloseTrehaloseME309025-C0108397.4915341.1008691
Alpha-D-Glucose 1,6-bisphosphateGlucose 1,6-bisphosphateME30902382400C01231383.102338.9965398
alpha-Guanidinoglutaric Acidalpha-Guanidinoglutaric acidME308882--370.884188.0651065
AmmelideAmmelideME308844--175.7485144.0518339
Amrinone-ME3088980-239.935203.0924669
APIINApiinME309077--413.7075563.1519089
Arachidic acidArachidic acidME30900010467C0642540.471311.3024136
Arachidonic Acid (peroxide free)Arachidonic acidME308995444899C00219143.01303.2320963
Aristolochic AcidAristolochic acidME309024--29.466340.0455023
AzacitidineAzacitidineME308929--441.588243.0739119
BestatinBestatinME309040--268.37367.1897411
Betaine aldehydeBetaine aldehydeME308897249C00576100.803201.159286
BufexamacBufexamacME308948--42.447260.0719095
ButabarbitalButabarbitalME308904--82.478212.1137824
CITIOLONE-ME309003--383.1905317.0601419
ClozapineClozapineME309048--25.965385.1530022
Cortisol 21-acetateCortisol 21-acetateME309055--43.668420.2316088
CyclohexylsulfamateCyclamic acidME308872--426.013179.0642813
Cytidine 2',3'-cyclic phosphate-ME30899653481030-269.807304.0277657
Cytidine 5'-diphosphocholine (CDP-choline)Cytidine 5'-diphosphocholineME30906613804C00307207.138488.0969129
Cytidine 5'-monophosphate (CMP)CMPME3090146131C00055424.6935323.04437
CytosineCytosineME308863597C00380368.337170.0536534
DantroleneDantroleneME308984--104.7385295.0535308
D-Arabinono-1,4-lactoneD-Arabinono-1,4-lactoneME308985--227.4485295.0744642
D(-)-beta-hydroxy butyric acid3-Hydroxybutyric acidME308854--373.638163.057421
D-BiotinBiotinME308952171548C00120230265.0626244
delta-Tocotrienol-ME309054-C1415633.0595417.2856081
DeoxyguanosineDeoxyguanosineME308974187790C00330313.885283.1189876
DeoxyinosineDeoxyinosineME30893765058C05512274.7495251.0728759
Deoxythymidine 5'-phosphate (dTMP)dTMPME3090109700C00364361.822321.0513217
DethiobiotinDethiobiotinME308906445027C0190939.261213.1230812
D-FructoseFructoseME309035439709C00095165.451359.128453
D-GlucarateGlucaric acidME308916607C00818316.843226.054975
D-Glucosamine 1-phosphate (Glucosamine-1P)Glucosamine 1-phosphateME308962440272C06156346.846275.0670985
D-glucosamine 6-phosphateGlucosamine 6-phosphateME308968439217C00352320.141280.0203439
D-Glucose 6-phosphateGlucose 6-phosphateME3089265958C0009230.166241.014467
D-GlucuronateGlucuronic acidME309049444791C00191334.6065387.0803368
DihydrothymineDihydrothymineME30894093556C00906253.085255.1140139
DihydrouracilDihydrouracilME308838649C0042947.4985130.0644527
DL-Vanillylmandelic acidD-SerineME30890871077C0558445.638219.0261393
D-Mannitol 1-phosphateMannitol 1-phosphateME309011130418C0064452.5375321.1638397
D-Mannose-6-phosphateMannose 6-phosphateME308947439198C00275213.395259.0254887
DopamineDopamineME308861681C0375834.9095169.094671
D-QuinovoseQuinovoseME308876-C02522342.812180.0859189
D-Ribose 1,5-bisphosphateRibose 1,5-bisphosphateME3090199947823C01151379.3745331.06263
dTMPdTMPME309022-C00364378.888338.0818268
Enalaprilat-ME309018--213.997329.1457603
Estradiol CypionateEstradiol cypionateME309051--42.9105395.2660673
EthosuximideEthosuximideME3089723291C07505137.19281.1529199
Ethynodiol diacetate-ME309039--106.621365.2143106
EvodiamineEvodiamineME309079--384.317605.2622195
Flavin mononucleotide (FMN)FMNME309067643976C00061114.586493.0651957
FloxuridineFloxuridineME308973-C11736117.924283.0200237
Fludrocortisone acetateFludrocortisone acetateME309056-C0076241.142422.2205788
FluorouracilFluorouracilME308837-C0764968.036130.0202051
Fructose 1-phosphateFructose 1-phosphateME30894610400369C01094314.7195259.0186948
Furegrelate-ME309069--460.201505.1430003
Gamma-Glutamylcysteinegamma-GlutamylcysteineME308936123938C00669112.748249.0611736
gamma-L-Glutamyl-L-glutamic acidgamma-Glutamylglutamic acidME30902092865C05282378.347335.107391
gamma-L-Glutamyl-L-phenylalaninegamma-GlutamylphenylalanineME308963558649-442.656275.1016937
gamma-Tocopherolgamma-TocopherolME309060-C0248336.3125453.3074344
GlucosamineGlucosamineME308892439213C00329210.4515195.0964316
Glycerol 3-phosphatesn-Glycero-3-phosphateME308849439162C00093350.19152.9931146
Glycerophosphocholinesn-Glycero-3-phosphocholineME30894271920C00670309.8515257.1014312
Glycocholic acidGlycocholic acidME30907423617285C01921181.3585524.3254688
Glycyrrhizic Acid-ME309085--316.4895881.398067
Guanidoacetic acidGuanidoacetic acidME308921763C00581332.716233.0975939
GuanosineGuanosineME3090266802C00387283.179342.1140118
HesperetinHesperetinME309037--293.4865361.0915174
Hexadecanedioic acidHexadecanedioic acidME309015--28.551323.1699143
HexanoylglycineHexanoylglycineME30889099463-360.0905194.084278
Hieracin-ME308990--154.6015302.0382188
hydrocortisone 21-acetateCortisol 21-acetateME3090595754-297.293425.186537
InosineInosineME3089556021C00294285.1025267.0669321
IS-ME308894--223.482198.0422935
Jasmonic acidJasmonic acidME3089345281166C08491446.14247.0688179
KaempferolKaempferolME3089785280863C0590372.531285.0421886
KetanserinKetanserinME309061--49.9835454.1871514
L-Arabinono-1,4-lactone-ME308881-C01114136.545185.0653253
L-ArabitolL-ArabitolME308884439255C0053294.315189.0970146
L-ArginineArginineME3088646322C00062270.441173.1011312
L-Aspartyl-L-phenylalanineAsp-PheME30896793078-400.988279.1048618
L-CitrullineCitrullineME3088679750C00327395.468174.0851537
L-CysteineCysteineME3088405862C00097160.177137.041922
L-CystineCystineME30898767678C00491683.486299.0407145
L-dihydroorotateDihydroorotic acidME308865439216C00337377.4305174.0495074
Lecanoric acidLecanoric acidME309004--474.198317.0595777
Leukotriene C4LTC4ME309080-C02166137.964624.2982805
L-Fucose 1-phosphateFucose 1-phosphateME308928-C02985308.566243.0294661
L-Fucose-1-phosphateFucose 1-phosphateME308914439871C02985422.774225.0179612
L-Galactono-1,4-lactoneL-Galactono-1,4-lactoneME308870151006C0111592.465177.1365786
L-GlutamineGlutamineME3088795961C00064160.672183.0146155
L-Gulonic gamma-lactoneL-GulonolactoneME308871439373C01040290.365178.0521534
L-homocysteic acidHomocysteic acidME308880177491C16511367.686183.016238
L-IditolL-IditolME3090385460044C01507315.34363.1578381
L-MethionineMethionineME3088466137C00073151.3705149.0521611
L-PhenylalaninePhenylalanineME3088566140C00079284.8945164.0722968
L-TyrosineTyrosineME3088756057C00082375.6180.0680551
Maleamic acidMaleamateME308833-C01596219.2125115.0255815
Malonic acidMalonic acidME308899867C00383380.531207.0107665
MaltitolMaltitolME309036--290.957360.1465339
Mevalonic acidMevalonic acidME308986449C0041829.933295.1367362
MK 571VerlukastME309076--474.5175530.1249299
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME30884869698C05842212.918151.0516041
N1-Methyl-4-pyridone-3-carboxamideN1-Methyl-4-pyridone-3-carboxamideME308883644260-308.931189.0971514
N2-Acetyl-L-ornithineN-AcetylornithineME308868439232C00437289.1785174.1042396
N4-AcetylcytidineN4-AcetylcytidineME308976107461-264.7535284.0956867
N-AcetylaspartateN-Acetylaspartic acidME308888-C01042347.985191.0647713
N-Acetylaspartylglutamate (NAAG)N-Acetyl-Asp-GluME3090095255C12270371.0775320.1075921
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME308912439174C0014055.6895221.0925945
N-Acetyl-D-Glucosamine 6-PhosphateN-Acetyl-glucosamine 6-phosphateME309005440996C00357350.995317.0702231
N-Acetyl-D-lactosamine-ME309046--444.095383.1369748
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME308988445675-377.309300.0539738
N-Acetyl-L-alanineN-AcetylalanineME30886088064-347.471168.0045142
N-Acetyl-L-HistidineN-AcetylhistidineME308907--70.0565218.0591906
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME30893274839C03519131.447244.0390205
N-AcetylmannosamineN-Acetyl-mannosamineME30897011096158C00645217.5785280.1106204
N-Acetylneuraminic acidN-Acetylneuraminic acidME309016445063C00270430.6445325.1322826
(-)-NaringeninNaringeninME308958-C0050984.644272.072932
NaringinNaringinME309078442428C09789300.8455579.1731505
N-carbamoyl-L-aspartateCarbamoylaspartateME30888993072C00438373.631192.0605249
NicotinamideNiacinamideME308878936C00153179.2765181.0588256
Nicotinamide adenine dinucleotide (NAD)NAD+ME3090815893C00003425.22663.122159
Nicotinamide ribotideNicotinamide ribotideME30904114180C00455331.9925370.9993255
NicotinateNicotinic acidME308834938C00253206.607123.0332211
Nicotinuric acidNicotinuric acidME30889368499C05380268.986196.0706687
NomilinNomilinME309068--348.777495.2073624
O-Acetyl-L-serineO-AcetylserineME30884599478C00979108.799147.0515746
O-Phospho-L-threonineO-PhosphothreonineME3088733246323C1214784.235180.0054134
O-PhosphotyrosineO-PhosphotyrosineME30900830819C06501361.842320.0497046
OrotateOrotic acidME308998967C00295373.0115311.0327832
O-Succinyl-L-homoserineo-SuccinylhomoserineME308910-C01118402.483219.072613
OxazepamOxazepamME309012--154.722323.0037502
Oxoadipic acidOxoadipic acidME309007--350.9825319.0677602
Palmitic acidPalmitic acidME309001985C0024941.033315.2482866
Pentadecanoic AcidPentadecylic acidME30898913849C16537152.9795301.2321407
PentobarbitalPentobarbitalME308917--101.131226.1298877
PerseitolPerseitolME309057--369.711423.1819519
Phenacemide-ME309030--172.552355.1445657
Phenethyl Caffeiate-ME308997--478.48305.0837281
PhenylpropionylglycinePhenylpropionylglycineME308954152323-378.833266.1005409
PhenylpyruvatePhenylpyruvic acidME308855997C0016643.819164.0504323
PioglitazonePioglitazoneME309042--43.0705372.1298012
PravastatinPravastatinME309058-C0184468.869423.2397317
Primidone-ME308939--214.683255.0488685
PrunasinPrunasinME308999--292.243311.1249772
Pyrethrosin-ME309027--156.8245343.096171
Pyridoxal 5'-phosphatePyridoxal 5'-phosphateME3089501051C00018290.568263.0378815
Pyridoxal (Vitamin B6)PyridoxalME3088571050C0025030.362166.0491222
QuetiapineQuetiapineME309045--375.913382.1536287
QuinateQuinic acidME308886-C00296229.963191.0536857
RepaglinideRepaglinideME309070--46.1585511.2875315
RibothymidineRibothymidineME308944445408-181.925258.0856579
Ricinoleic acidRicinoleic acidME309034--311.785357.267323
(R)-mevalonic acid 5-Phosphate5-Phosphomevalonic acidME308953439400C0110739.693265.0881183
RosiglitazoneRosiglitazoneME30904377999-42.92373.1330188
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME309047439155C00021382.179384.1170532
SalicylamideSalicylamideME308841--268.4655137.0497491
Salicylic acidSalicylic acidME308852338C0080544.929159.0090024
Salidroside4-Hydroxyphenyl-2-ethylglucopyranosideME308971-C06046373.708281.1014282
S-Allyl-L-cysteineS-AllylcysteineME308853--290.9205161.0528363
Salsalate-ME308943--41.731258.0561649
ScopoletinScopoletinME3089015280460C0175267.111208.0573285
SedoheptuloseGlucoheptuloseME308887--49.862191.059052
SildenafilSildenafilME309062--172.9165473.1956181
Silybin-ME309065--29.642481.1041928
Sinapyl alcoholSinapyl alcoholME3089025280507C02325199.65209.0777585
S-Methyl-5'-thioadenosine5'-MethylthioadenosineME309032439176C00170161.138356.1076593
S-Nitroso-L-glutathione-ME309082104858-427.77671.12998
Statil-ME309050--77.669389.0017393
StavudineStavudineME30894918283C0731234.9185261.0318734
SuberylglycineSuberylglycineME3089196453952-267.697231.1100037
SulfamethizoleSulfamethizoleME308957--69.033270.0241472
SulfanilamideSulfanilamideME3088505333C07458178.7075153.0123211
TaurineTaurineME3088351123C00245280.052125.0158557
TaurocholateTaurocholic acidME309072440567C05122172.6315514.2961362
(+-)-TaxifolinTaxifolinME308977--102.618285.0422345
TemazepamTemazepamME309002--168.7675316.0914462
TetrahydrobiopterinSapropterinME3089251125C00272206.584240.1103007
TheobromineTheobromineME3088965429C07480171.783201.035873
ThiamineThiamineME3089331130C0037841.761246.0922857
ThymidineThymidineME3089275789C0021450.795241.0844439
ThymineThymineME3088361135C0017875.764126.0443939
Tiopronin-ME308913-C12876333.3745222.0462897
trans-cinnamatetrans-Cinnamic acidME308900444539C00423286.3925207.061157
UracilUracilME3088391174C00106107.617133.0019251
Uric acidUric acidME3088591175C00366234.9215167.020841
UridineUridineME3089936029C00299161.793303.0832065
Uridine 5'-monophosphate (UMP)UMPME3090136030C00105383.108323.0302915
VanylglycolVanylglycolME30891110805-24.708221.0207716
Vindoline-ME309063--317.9175477.1934065
XanthineXanthineME3088471188C00385287.835151.0248225
XanthosineXanthosineME30895164959C01762112.8635265.0539353
XylitolXylitolME3089946912C00379229.869303.1342159


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