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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-HydroxycarbazepineLicarbazepineME135344-C074934.512303091254.1055998
1,2,4-Trimethylbenzene1,2,4-TrimethylbenzeneME135372-C145334.124362066120.0938242
1,2-dioctanoyl-1-amino-2,3-propanediol-ME135140--4.801366138343.2727091
1(2H)-Isoquinolinone-ME135436-C0632411.59697331145.0527278
12-OPDA-ME135324-C012263.804087629292.2040278
1-5-diazabicyclononane-ME135069--21.46949085126.1156939
1-5-diazabicyclononane_2-ME135455--15.01040552126.1157058
1,6-anhydrous-N-Acetylmuramyl-tetrapeptide-ME135146--14.62936601360.1582725
1-deoxynojirimycin-ME135097-C1684311.34327808163.0845506
1-deoxyxylonojirimycin-ME135141--16.16865889133.0738935
1-Methylnicotinamide1-Methyl nicotinamideME135020-C0291824.49098027136.0636985
1-Nitronaphthalene1-NitronaphthaleneME135345-C140406.874745343173.047749
2,3,4,5-Tetrahydrodipicolinate-ME135331-C0397216.4942098171.0531566
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME135024-C004508.099210099127.0632774
2,3-DimethylmaleateDimethyl maleateME135262-C0092214.72623502144.0423227
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME135177--12.98356021191.0794295
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate_2-ME135442--11.41265692191.0795593
2-Aminobutan-4-olideHomoserine lactoneME135406-C029268.156133849101.0477489
2-Dehydro-3-deoxy-L-rhamnonate-ME135257-C0397914.52076092162.0528886
2-Methylcholine2-MethylcholineME135214-C0222417.81285557117.1153022
2-monooleoylglycerolMG 0:0/18:1(9Z)/0:0ME135071--3.868519943370.3086716
2-Phenyl-1,3-propanediol monocarbamate-ME135342-C165865.326872209195.0897237
3,4-Dehydrothiomorpholine-3-carboxylate-ME135082-C044457.592320405145.0197764
3,4-Dehydrothiomorpholine-3-carboxylate_2-ME135094-C044455.544719138145.0198486
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene-ME135377--4.127322438190.1722013
3,5-dihydro-5-methylidene-4H-imidazol-4-one-ME135230--7.686896242196.0961698
3-(ADP)-2-phosphoglycerate-ME135347-C0367317.50491396595.011843
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME135316-C0540113.60705711254.100368
3-Butylidene-7-hydroxyphthalidePhthalideME135355-C099214.012635303204.0787625
3-Butynoate3-Butynoic acidME135023-C0614411.0991740184.02118376
3-Dehydroteasterone3-DehydroteasteroneME134963-C157923.855235567446.3401807
3-(Dimethylamino)propyl benzoate3-(Dimethylamino)propyl benzoateME135153-C141687.819639488207.1260311
3-Hydroxy-L-kynurenineHydroxykynurenineME135327-C0322713.74068843224.0799265
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME134983-C0125920.4179445204.1475699
3-Methoxyanthranilate3-Methoxyanthranilic acidME135033-C0583113.53645366167.0582579
3-methyl-1-heptene3-Methyl-1-hepteneME135362--3.863189728112.1250868
3-Methylcrotonylglycine3-MethylcrotonylglycineME135226--12.93875687157.0740056
3-Methyleneoxindole3-MethyleneoxindoleME135458-C027967.457873634145.0527893
3-nitro-2-pentanol-ME135190--8.585793747133.0739035
3-NitrotyrosineNitrotyrosineME135512--10.93952342226.0592423
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoa...-ME135175--4.89715798215.1160015
4,6-Dihydroxyquinoline4,6-DihydroxyquinolineME135054-C056398.485656592161.0477003
4-8dimethylnonanoylcarnitine-ME135394--3.883554862329.2569382
4-Aminobutanal4-AminobutyraldehydeME135272-C0055510.5086217587.0683882
4-Aminobutanoategamma-Aminobutyric acidME134938-C0033415.6304563103.0633292
4-Guanidinobutanal4-GuanidinobutanalME135303-C0264727.74677821129.0902072
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME135149-C0603413.45425925177.0637832
4-Hydroxycinnamyl aldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME134962-C056084.140772021148.0524164
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME135319-C0368010.98345222156.0534608
4-PIOL-ME135113-C1371015.20381495168.0899436
4-Trimethylammoniobutanoate3-DehydroxycarnitineME135019-C0118113.2100503145.1102771
4α-hydroxymethyl-4β-methyl-5α-cholesta-8,24-die...-ME135007--3.820764414428.365781
5,6-DihydrothymineDihydrothymineME135022-C0090614.60581917128.0585757
5,6-Dihydrothymine_2DihydrothymineME135046-C009068.917316456128.0585709
5,8,13,13a-Tetrahydrocolumbamine(S)-TetrahydrocolumbamineME135464-C041189.913918997341.1622455
5-Aminopentanamide5-AminopentanamideME134989-C0099022.71002497116.0949281
5-Guanidino-2-oxopentanoate2-OxoarginineME135304-C0377114.08402968173.0801286
5-guanidino-3-methyl-2-oxo-pentanoate-ME135128--13.72111635187.0958132
5-Hydroxytryptophol5-HydroxytryptopholME135174--4.922897359177.0791015
5-Methoxytryptophol5-MethoxytryptopholME135437--5.862152266191.0948387
5-Methylcytosine5-MethylcytosineME135029-C023769.513730165125.0589014
5-Methylthioadenosine5'-MethylthioadenosineME134956-C001707.432928142297.0898419
5S-HETE di-endoperoxide5S-HETE di-endoperoxideME135206--3.88791063402.2254551
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-1,2,3...-ME135219-C048753.983812862293.1994861
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-3,4-d...-ME135485-C048833.85478286291.1836196
6-Acetamido-2-oxohexanoate2-Keto-6-acetamidocaproic acidME135051-C0554811.54054239187.0843838
7,8-benzoflavone7,8-BenzoflavoneME135209--5.366117786272.0838861
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-...-ME135373--5.178625939614.1729657
7alpha-Hydroxycholest-4-en-3-one7alpha-Hydroxy-4-cholesten-3-oneME135050-C054554.843321919400.334688
Acetone cyanohydrin2-Hydroxy-2-methylpropanenitrileME135268-C0265915.2765854885.05276303
AcetylagmatineAcetylagmatineME135499-C0213117.25695311172.1324685
AcetylcholineAcetylcholineME135043-C0199615.80559804145.110269
Acetyl phosphateAcetylphosphateME134970-C0022716.61650169139.987513
Ac-Tyr-OEtN-AcetyltyrosineME135382-C016574.419043264251.1159288
a Cysteine adduct-ME135078--17.66450678191.0253604
a Cysteine adduct_2-ME135088--15.07814877191.0253113
AdenineAdenineME134955-C001479.334870314135.0545197
Ala-Ala-AlaAla-Ala-AlaME135486--11.8721539231.1219897
Ala-Asn-GlyAla-Asn-GlyME135369--11.93176991260.1123689
Ala-Asp-Asp-Gln-ME135247--15.72487975447.1594156
Ala-Asp-Cys-Gly-ME135474--13.11350206364.1055998
Ala-Asp-Cys-Ser-ME135116--17.02840446394.1162861
Ala-Asp-GlyAla-Asp-GlyME135184--14.48818611261.0960117
Ala-Asp-Gly_2Ala-Asp-GlyME135371--12.36408416261.0964382
Ala-Asp-Pro-Ser-ME135506--14.22325638388.1593495
Ala-Gln-ProAla-Gln-ProME135239--11.87707247314.1594776
Ala-Leu-Lys-Pro-ME135122--21.05014202213.6398699
Ala-Leu-Thr-Pro-ME135203--13.18214042200.1162339
Ala-Lys-Asn-His-ME135065--12.98904237234.1221536
Ala-Met-Pro-Tyr-ME135491--8.416438256480.2047197
Ala-ProAla-ProME135187--13.69784868186.1006144
Ala-Ser-SerAla-Ser-SerME135411--15.09065468263.1121331
Alatanin 2Alatanin 2ME135354--3.75500679831.2339484
allopurinolAllopurinolME135444-D0022415.1177464136.0384151
alpha-Methylstyrene-ME135359-C143954.127361282118.0781888
AMPAMPME134957-C0002013.47856972347.0634436
Anthranilate2-Aminobenzoic acidME135343-C0010811.68164868137.0476713
Arg-Asn-Pro-His-ME135137--17.5265406261.1330093
Arg-Asp-Asp-Gly-ME135384--16.97935244461.1871117
Arg-Leu-Asn-Asp-ME135084--14.47351036258.1330642
Arg-Met-Asn-Gln-ME135501--17.27276763547.2531894
Arg-Met-Asn-His-ME135234--11.09504266278.1274039
Arg-Met-Val-Asp-ME135500--17.33482277519.2466239
Asn-Asn-AsnAsn-Asn-AsnME135463--11.52227789360.1388397
Asn-Asn-Pro-His-ME135447--16.44646899480.207621
Asn-AspAsn-AspME135361--15.59498429247.0805136
Asn-Cys-Pro-Ser-ME135494--13.8554368419.14794
Asn-Leu-Asn-Tyr-ME135127--12.35193833261.1220851
Asn-ProAsn-ProME135192--14.002902229.1064406
Asn-TyrAsn-TyrME135348--12.64349852295.1173041
Asp-ArgAsp-ArgME135475--18.03842537289.1386822
Asp-Asp-GlyAsp-Asp-GlyME135105--18.17233063305.086215
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME135091--16.73209012426.0881251
Asp-Cys-GlnAsp-Cys-GlnME135427--14.78156242364.1054971
Asp-GlyAsp-GlyME135244--16.3521298190.0591224
Asp-Gly-ArgAsp-Gly-ArgME135404--17.61968851346.1600282
Asp-Gly-Arg_2Asp-Gly-ArgME135421--15.61781313346.1601456
Asp-Gly-ProAsp-Gly-ProME135096--13.23519223287.1121545
Asp-Gly-Pro-Ser-ME135511--13.50956558374.1436892
Aspidofractine-ME135487-C0904012.92707529366.1939564
Asp-Leu-Ser-His-ME135243--17.48881223470.2119728
Asp-Met-Pro-Pro-ME135490--11.6788198458.1840278
Asp-Pro-SerAsp-Pro-SerME135142--13.82780226317.1226084
ATPATPME134923-C0000216.25996828506.9961254
BehenoylglycineBehenoylglycineME135453--3.797634421397.3559527
BendiocarbBendiocarbME135166-C144334.565341145223.0845567
Benzimidazole1H-BenzimidazoleME135493-C020097.467142975118.0531262
beta-Alanyl-L-argininebeta-Alanyl-L-arginineME134969-C0534016.4730759245.1488138
beta-Carbolinebeta-CarbolineME135229--7.140957155168.0687714
beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME135102--19.91343721321.0697247
BetaineBetaineME134940-C0071911.18814252117.0789698
Betaine aldehydeBetaine aldehydeME135300-C0057610.99788646101.0840263
Biotin amideBiotin amideME135032-C0189310.39891103243.1043099
Bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME135077-C036903.859414172390.2771608
Bis(glycerophospho)-glycerol-ME135238-C0385315.108523400.0540051
Boc-Asn-ME135363-C014107.611412013232.1059546
ButenylcarnitineCAR 4:1ME135456--9.19739146229.1315377
Calophyllin BCalophyllin BME135063-C100547.374855825296.1043801
CarnosineCarnosineME135330-C0038615.59267734226.1066624
Casein K-ME135093-C0148312.53274697130.0742443
Casein K_2-ME135223-C014837.694574355130.0741894
CDP-cholineCDP-cholineME135015-C0030715.05159702488.1076925
CDP-ethanolamineCDP-EthanolamineME135333-C0057016.03755007446.0607846
CDP-ribitolCDP-ribitolME135334-C0078916.33922933537.0764304
CeruleninCeruleninME135164-C120589.873322038223.120961
ChelilutineChelilutineME135221-C1222911.31995519377.125829
CholineCholineME134949-C0011420.73626629103.0996918
Choline phosphateCholine phosphateME135030-C0058814.60087019183.0661048
cis-5-TetradecenoylcarnitineCAR 14:1ME135158--4.426051443369.2883508
CMPCMPME135061-C0005514.98462653323.0521382
CMP-2-aminoethylphosphonateCMPciliatineME135298-C0567314.98234833430.0658094
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME135422-C0567414.07573311472.1127921
CodonopsineCodonopsineME135360-C1013711.46955632267.1470842
CostunolideCostunolideME135454-C093824.358841381232.1464419
CreatineCreatineME135004-C0030014.50209157131.0694533
CreatinineCreatinineME134947-C007919.634414829113.0589228
CTAB-ME135188-C112757.637166137283.3242913
CTPCTPME135059-C0006318.14905303482.9851311
Cyclo(deltaAla-L-Val)-ME135120-C1184613.3499655168.0898888
cyclo-dopa 5-O-glucosidecyclo-Dopa 5-O-glucosideME135240-C1775114.88732479357.1053552
CyclopamineCyclopamineME135147-C107987.48753841411.3142314
Cys-Lys-Met-Gln-ME135459--16.22977356508.2132436
Cys-Met-Tyr-Tyr-ME135089--13.50997569289.093265
Cys-Thr-Cys-Cys-ME135496--16.73194434428.0852397
d1-piperidine-dicarboxylate-ME135466--9.48407332173.0688239
D-2-Amino-hexano-6-lactamUndecylprodigiosinME135068-C0532812.10249315128.094956
DaminozideDaminozideME135072-C109967.549626334160.0844765
DasytrichoneDasytrichoneME135087-C100354.82549223296.1043785
Deacetoxycephalosporin CDeacetoxycephalosporin CME135058-C0656515.95097816357.0990829
DeoxyvasicinoneDeoxyvasicinoneME135224-C106595.329539096186.0795148
DethiobiotinDethiobiotinME135314-C0190911.89741616214.1318915
D-GalactosamineGalactosamineME134979-C0226226.19303807179.0794527
D-Galactosamine_2GalactosamineME135034-C0226211.24388949179.0793009
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME135056-C0035216.79879342259.0460877
Diacetylhydrazine-ME135341-C1662213.63076301116.0585956
Diacetylmonoxime2,3-Butanedione monoximeME135405-C075095.376216117101.0477101
DiethanolamineDiethanolamineME134964-C0677211.150477105.0790105
Diethanolamine_2DiethanolamineME134968-C0677219.71880179105.0789903
dihydrocapsaicinDihydrocapsaicinME135205-C169523.766679326307.2150406
Dihydroneopterin phosphateDihydroneopterin phosphateME135339-C0592515.5828762335.0627289
di-n-Undecylamine-ME135231--7.416635313325.3710646
DL-2-Aminooctanoicacid2-Aminocaprylic acidME135415--13.17095735159.1260173
DL-Methionine sulfoneMethionine sulfoneME135073--11.87776248181.0410399
DMNT-ME135367--4.136209579150.1407902
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME134999-C0429915.76687148242.0194862
DopaminequinoneDopamine quinoneME134992--11.85265285151.0633404
D-PipecolicacidD-Pipecolic acidME135161--11.07914595129.0789476
EctoineEctoineME135049-C0623112.89963326142.0742461
ElaidiccarnitineCAR 18:1(9E)ME135124--4.470328397425.3508252
EpinephrinesulfateEpinephrine sulfateME135103--13.13359824263.0466001
ErgothioneineErgothioneineME135011-C0557014.74249843229.0885717
Erythrulose 1-phosphate-ME135356-C0339412.56614852200.0087876
[FA (14:2)] 5,8-tetradecadienal5,8-TetradecadienalME135374--4.142607599208.1828145
[FA (20:2)] N-(11Z,14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME135210--4.026080938351.3142215
[FA (20:5)] 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic aci...EPAME135036-C064283.92783923302.2249761
[FA (5:2)] 2,4-pentadienoic acidbeta-Vinyl acrylic acidME135439--13.8794794198.03678922
[FA (6:0)] O-hexanoyl-R-carnitineCAR 6:0ME135393--7.447016658259.178588
[FA (8:2)] 2,4-octadienal(E,E)-2,4-OctadienalME135365--4.133024124.0887192
[FA amino(11:0)] 11-amino-undecanoic acid11-Aminoundecanoic acidME135136--8.342585574201.1730058
[FA hydroxy(9:1)] 4-hydroxy-2-nonenal-ME135151--3.987968503156.1150345
[FA methyl(4:1)] 3-methyl-2-butenoic acidbeta,beta-Dimethyl acrylic acidME135163--15.50559801100.0524608
[FA methyl,hydroxy,ethyl,dimethyl(22:4)] N-(2R-met...-ME135472--4.954739869417.3608467
[FA] O-Palmitoyl-R-carnitineCAR 16:0ME135038-C029904.553700774399.335213
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2Z-pentenyl...-ME135322-C047803.83547755294.2196482
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lacton...N-(3-Oxo-hexanoyl)-homoserine lactoneME135189-C118395.238158888213.1001811
FasoracetamFasoracetamME135423-C133114.94032952196.1213174
FMLP-ME135040-C115967.941019012437.1990061
FolateFolic acidME134966-C0050416.34108188441.1402593
FructoselysineFructosyllysineME135150-C1648818.4614323308.1584396
Fructoselysine_2FructosyllysineME135389-C1648817.29226272308.1585033
Fructoselysine 6-phosphateFructoselysine 6-phosphateME135351-C1648916.02137502388.1247909
Furfural2-FurancarboxaldehydeME135399-C1427914.5329851696.0212238
[Fv] Desmosdumotin C-ME135066--4.045241208312.1363301
[Fv] Homoflemingin-ME135207--4.630010117219.1023235
[Fv] Ovalitenin A-ME135470--3.958752245278.0945886
Gamma-Aminobutyryl-lysinegamma-Aminobutyryl-lysineME135246--20.35641333231.1580062
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME135027-C061149.215825985199.0958005
gamma-Glutamyl-beta-cyanoalaninegamma-Glutamyl-beta-cyanoalanineME134967-C0571111.13112876243.0857688
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME135254-C0569515.93131244312.0221881
GDPGDPME134972-C0003517.66519939443.0242468
Gentianaine-ME135407-C099605.100807581141.0426135
GlabraninGlabraninME135473-C097523.960670897324.1364195
GlaucaruboloneGlaucaruboloneME135064-C0876412.17655865197.0812718
Gln-Leu-Lys-His-ME135235--18.74938276262.1532565
Glu-ArgGlu-ArgME135067--18.07721943303.1541167
Glu-Arg_2Glu-ArgME135481--16.59734199303.1541006
Glu-AspGlu-AspME135424--17.10819202262.080418
Glu-Glu-GluGlu-Glu-GluME135117--18.44773539405.1382345
Glu-GlyGlu-GlyME135495--15.01260705204.0748314
Glu-Lys-ValGlu-Lys-ValME135195--18.70945084187.1084088
Glu-Met-ThrGlu-Met-ThrME135228--11.90269798379.1408671
Glu-ProGlu-ProME135410--14.77418619244.1060649
Glutathione disulfideOxidized glutathioneME134984-C0012717.10050793306.0762186
Glu-ThrGlu-ThrME135129--14.41357807248.1008929
Glu-ValGlu-ValME135397--12.21524435246.1218091
Glycylprolylhydroxyproline-ME135488--13.83018644285.1320917
Gly-Pro-SerGly-Pro-SerME135110--9.553047042259.1170888
GTPGTPME134961-C0004419.07566652522.9905825
GuanidinoacetateGuanidoacetic acidME135315-C0058115.64788827117.0538945
GyromitrinGyromitrinME135433-C0830512.29897692100.063626
HeptadecanoylcarnitineCAR 17:0ME135414--4.505559604413.3506855
HercynineHercynineME134998-C0557513.4501465197.1165283
Hercynine_2HercynineME135318-C0557512.15263601197.1165941
HexadecasphinganineC16 SphinganineME135186-C139157.0348675273.2669987
HexanoylcarnitineCAR 6:0ME135154--5.253851182259.1785357
HexanoylglycineHexanoylglycineME135074--4.890820721173.1052006
HomoarginineHomoarginineME135125-C0192423.17226273188.127294
HomocystineHomocystineME135057-C0181714.13388955268.0554812
Homostachydrine(S)-HomostachydrineME135191-C082839.54410507157.1102462
HydroxybutyrylcarnitineCAR 4:0;OHME135155--11.2947876247.1421255
HypaphorineLenticinME135182-C092138.681930913246.1369927
HypoxanthineHypoxanthineME134958-C0026210.01789696136.0385361
Ile-Met-Met-Thr-ME135378--12.66480879494.2225018
Ile-ProIle-ProME135162--12.93975751228.1474812
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME135266-C0513014.81178269110.0480015
Imidazole-4-acetateImidazoleacetic acidME135042-C0283511.478247126.0429052
Imidazole lactateImidazolelactic acidME135013-C055689.525950011156.0535683
IndoleIndoleME135302-C0046311.59091441117.0578302
Indole_2IndoleME135310-C0046310.13992584117.0577995
Indole-3-acetamide1H-Indole-3-acetamideME135329-C026937.421902425174.0793189
indole-3-acetonitrile oxide-ME135215--6.165434253172.0637544
IndoleacrylicacidIndoleacrylic acidME135451--8.68181375187.063357
Indoleamine-ME135167-C018197.280128071132.0688628
IridodialIridodialME134981-C060694.31612389168.1149986
IsopyridoxalIsopyridoxalME135317-C0605111.76952346167.058142
IsoquinolineIsoquinolineME135443-C063238.679253693129.0577851
IsovalerylalanineIsovalerylalanineME135217--9.277946507173.1052813
(-)-jasmonoyl-L-isoleucine-ME135476--3.784902893323.2097411
ketoconazol-ME135483--4.822522926463.2343096
L-1-Pyrroline-3-hydroxy-5-carboxylate-ME135006-C0428110.05883507129.0426265
L-1-Pyrroline-3-hydroxy-5-carboxylate_2-ME135260-C0428112.44371591129.0425613
L-2-Amino-6-oxoheptanedioate-ME135041-C0387117.01858411189.0638197
LactosamineLactosamineME135047-C0020315.94079514341.1320419
L-a-glutamyl-L-Lysine-ME135236--16.81688887275.1482655
L-AlanineAlanineME134932-C0004114.6042745489.04770611
L-ArginineArginineME134925-C0006224.14975721174.1116943
L-AsparagineAsparagineME134930-C0015215.182524132.053496
L-CarnitineCarnitineME134939-C0048713.1459692161.1051971
L-CitrullineCitrullineME134952-C0032715.76207046175.0957477
Leu-AlaLeu-AlaME135176--12.21696696202.1319404
Leu-Asn-SerLeu-Asn-SerME135346--12.5338047332.1693629
Leu-AspLeu-AspME135204--13.57374178246.1216852
Leu-Asp-GlnLeu-Asp-GlnME135497--10.8694352374.1803594
Leucyl-leucineLeu-LeuME135085-C113324.780462863244.1787662
Leu-Gly-SerLeu-Gly-SerME135248--11.35663876275.1484504
Leu-Leu-ProLeu-Leu-ProME135390--12.68183491341.2318395
Leu-Lys-AspLeu-Lys-AspME135426--14.37846146374.2162203
Leu-Lys-ProLeu-Lys-ProME135130--21.25830051356.2426094
Leu-ProLeu-ProME135139--9.909244143228.1476273
Leu-SerLeu-SerME135211--11.76495926218.1266099
Leu-Thr-ThrLeu-Thr-ThrME135242--16.50120912333.1902765
Leu-Val-GlyLeu-Val-GlyME135502--13.90879678287.1847472
L-GlutamateGlutamic acidME134928-C0002514.37138765147.0531114
L-Glutamate methylester-ME135477-C050167.472194663161.0687497
L-GlutamineGlutamineME134924-C0006414.89463111146.0690873
L-glycyl-L-hydroxyprolineL-Glycyl-L-hydroxyprolineME135425--13.33146709188.0798294
L-HistidineHistidineME134934-C0013514.64125357155.0694955
L-HomocitrullineHomocitrullineME135157-C0242715.03719952189.111535
L-Homocitrulline_2HomocitrullineME135446-C0242716.94304807189.1114248
LicheninLicheninME135417-C0047825.33369157162.0528773
LinamarinLinamarinME134985-C0159412.893081247.1058541
LinatineLinatineME135259-C0593912.64640542259.1170191
L-IndospicineIndospicineME135179-C0828822.05915747173.1164332
LinoelaidylcarnitineCAR 18:2(9E,12E)ME135402--4.501365417423.3349779
L-KynurenineKynurenineME134960-C0032810.83178908208.0848121
L-LeucineLeucineME134946-C0012311.2279198131.0946031
L-LysineLysineME134926-C0004722.86952234146.1054758
L-Lysine 1,6-lactamL-2-aminohexano-6-lactamME135106-C0283713.71148231128.094955
L-MethionineMethionineME134953-C0007311.5029712149.0510647
L-Methionine S-oxideMethionine sulfoxideME135044-C0298913.3608234165.0460243
LophophorineLophophorineME135165-C095734.689371054235.120896
L-OrnithineOrnithineME134944-C0007722.19392526132.0898685
L-PhenylalaninePhenylalanineME134954-C0007910.16919198165.0790354
L-PipecolatePipecolic acidME135003-C0040812.29039533129.0789937
L-Pipecolate_2Pipecolic acidME135299-C0040821.65990505129.079073
L-ProlineProlineME134937-C0014812.70588045115.0633147
L-proline amide-ME135208--11.17737307114.0793471
L-SerineSerineME134942-C0006515.66954309105.0426151
L-thiazolidine-4-carboxylate-ME135112--8.253926267133.0197321
L-TryptophanTryptophanME135021-C0007811.59441916204.0900244
L-TyrosineTyrosineME134935-C0008212.98096692181.0739858
L-Tyrosyl-L-arginineTyr-ArgME135509-C0299314.07324496337.1755587
L-ValineValineME134994-C0018312.40294661117.0789509
Lys-Asn-GlyLys-Asn-GlyME135352--15.65395358317.1698639
Lys-Asp-GlyLys-Asp-GlyME135180--15.97017844318.1541227
Lysergic acidLysergic acidME135418-C075415.043687224268.1207675
Lys-Lys-Met-Pro-ME135081--23.06678232251.1466879
LysoPC(17:0)LPC 17:0ME135269-C042304.569921884509.3484019
LysoPC(18:0)LPC 18:0ME134974-C042304.51580736523.3640246
LysoPC(18:1(9Z))LPC 18:1(9Z)ME135284-C042304.551434619521.3483931
LysoPC(20:1(11Z))LPC 20:1(11Z)ME134973-C042304.454942257549.3793883
LysoPC(20:4(5Z,8Z,11Z,14Z))LPC 20:4(5Z,8Z,11Z,14Z)*ME135270-C042304.524008355543.3326304
LysoPC(22:4(7Z,10Z,13Z,16Z))LPC 22:4(7Z,10Z,13Z,16Z)ME135258-C042304.415924999571.3642003
LysoPC(O-18:0)LPC O-18:0ME135289-C043174.568751444509.3847916
LysoPE(0:0/18:2(9Z,12Z))LPE 0:0/18:2(9Z,12Z)*ME135398--4.588751544477.2861721
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))LPE 0:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME135086--4.671074856499.2702689
LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))LPE 0:0/22:4(7Z,10Z,13Z,16Z)*ME135092--4.408982782529.3170981
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))LPE 0:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME135364--4.432095969527.3020125
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))LPE 0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME135368--4.454735663525.2860495
Lys-ProLys-ProME135241--11.34887004243.1583372
Lys-Ser-Ser-Ser-ME135489--16.27735679407.2018701
Lys-Trp-AsnLys-Trp-AsnME135460--13.96462919446.2282735
Lys-ValLys-ValME135134--22.01850543245.1740367
Lys-Val-ValLys-Val-ValME135126--9.245350013172.1212779
MaleimideMaleimideME135508-C072728.52639137697.01642725
MaltoseMaltoseME135060-C0020816.1642471342.1163818
MedicagolMedicagolME135083--3.850936073148.0159401
Met-Ala-GlyMet-Ala-GlyME135438--12.530078277.1096375
Met-Ala-TyrMet-Ala-TyrME135504--12.69181567383.1520527
Met-Asp-GlyMet-Asp-GlyME135245--7.901083332321.0999033
Met-GlyMet-GlyME135505--12.5217249206.0723478
methiin-ME135381--10.54427456151.0301494
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME135145-C0122314.02456709213.1114025
Methyl cinnamateMethyl cinnamateME135070-C063584.11587981162.0680017
Met-Met-GlnMet-Met-GlnME135507--18.17742067408.1494996
Met-Met-MetMet-Met-MetME135441--13.87739853411.1314732
Met-Met-ValMet-Met-ValME135098--12.64815776379.1591966
Met-Thr-AspMet-Thr-AspME135452--13.09090246365.125928
Met-Trp-Trp-Tyr-ME135251--16.17775133342.136097
mildronate-ME135440--11.98165454146.105493
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME135017-C058427.642542898152.0585733
N1-Methyl-4-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamideME135062-C0584310.92355073152.0586525
N1,N8-diacetylspermidineN1,N8-DiacetylspermidineME135430--17.46850004229.1790337
N-(2,3-Dihydroxybenzoyl)-L-serineN-(2,3-Dihydroxybenzoyl)-L-serineME135252-C0420413.18266844241.0588118
N2-Acetyl-L-lysineN(2)-AcetyllysineME134948-C1298914.83671119188.1162459
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME135297-C0413717.20118926246.1330308
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME134995-C0402017.19901558218.1268718
N2-Succinyl-L-arginineN2-SuccinoylarginineME135253-C0329612.88011427274.1281415
N2-Succinyl-L-ornithineN2-SuccinylornithineME135311-C0341513.52491118232.1060384
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME135135--8.322947167216.0747635
N-(3-acetamidopropyl)-4-aminobutanalN-(3-Acetamidopropyl)-4-aminobutanalME135119--18.02631753186.1370272
N-(3-Oxooctanoyl)homoserine lactoneN-(3-Oxo-octanoyl)-homoserine lactoneME135482-C118414.372494649241.1315634
N4-AcetylaminobutanalN4-AcetylaminobutanalME134991-C059367.481261158129.0790056
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME135199--11.50087516190.0955119
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME135457-C0421017.16224991204.1111753
N6-Acetyl-L-lysineN6-AcetyllysineME135045-C0272712.50665285188.116136
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME135018-C0395510.92368272204.111112
N6-Acetyl-N6-hydroxy-L-lysine_2N(6)-Acetyl-N(6)-hydroxy-lysineME135336-C039558.457177429204.1111499
N6-Hydroxy-L-lysineN(6)-Hydroxy-lysineME135340-C0102813.51597688162.1004912
N6-Methyl-L-lysineN(6)-MethyllysineME135132-C0272822.37439395160.1211245
N6,N6-DimethyladenosineN(6),N(6)-DimethyladenosineME135249-C034169.535799154295.1276055
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME135026-C0379321.68670054188.152548
N-Acetyl-ala-ala-ala-methylester-ME135510-C113295.37734885287.1484256
N-Acetyl-aspartyl-glutamateN-Acetyl-Asp-GluME135035-C1227013.77499825304.0908089
N-Acetyl-aspartyl-glutamate_2N-Acetyl-Asp-GluME135294-C1227015.42771163304.0908357
N-Acetyl-aspartyl-glutamate_3N-Acetyl-Asp-GluME135332-C1227016.51642973304.0910843
N-acetyl-demethylphophinothricin-ME135216--9.677104954208.0613903
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME135193--11.97397736223.1057631
N-acetyl -D- glucosaminitol_2N-Acetyl-glucosaminitolME135197--13.285909223.1057279
N-AcetylindoxylN-AcetylindoxylME135283-C022984.261037003175.0633259
N-acetyl-(L)-arginineN-AcetylarginineME135095--14.61278401216.1222422
N-Acetyl-L-citrullineN-AcetylcitrullineME134971-C1553212.36629233217.1062121
N-Acetyl-L-glutamateN-Acetylglutamic acidME134950-C0062413.84165579189.0638237
N-AcetylornithineN-AcetylornithineME134951-C0043715.50939203174.1004079
N-AcetylputrescineN-AcetylputrescineME135276-C0271419.83686877130.1106199
N-AcetylvanilalanineN-AcetylvanilalanineME135503--11.48585591253.0953004
NAD+NADME134927-C0000313.63068867331.5548986
NADP+NADPME134931-C0000616.43895711743.0761824
N-BenzyloxycarbonylglycineN-BenzyloxycarbonylglycineME135429-C037104.823326831209.0689879
N-Carbamoyl-L-aspartateCarbamoylaspartateME135002-C0043816.50557596176.0433356
N-Carbamyl-L-glutamateCarglumic acidME135308-C0582915.14780764190.0591034
N-DecanoylglycineN-DecanoylglycineME135168--4.618937275229.1679652
N-dimethylethanolamine-ME135171--18.0332427489.08410448
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME135001-C0554521.4586391174.1369016
NeopterinNeopterinME134965-C0592613.70068853253.0813748
N-EthylglycocyamineN-EthylglycocyamineME135225-C0285213.42530117207.1109087
N-EthylmaleimideN-EthylmaleimideME135250-C024414.415407955125.0476077
N-Ethylmaleimide_2N-EthylmaleimideME135435-C0244112.07381678125.047664
N-ethylsuccinimideN-EthylsuccinimideME135123--5.086416814127.0633258
N-Formimino-L-glutamateFormiminoglutamic acidME135285-C0043913.58382444174.0641729
NG,NG-Dimethyl-L-arginineDimethylarginineME134996-C0362621.56976556202.1431201
N-Heptanoylhomoserine lactoneN-Heptanoyl-homoserine lactoneME135172-C118444.706867701213.1365536
N-hydroxyvalineN-Hydroxy-valineME135448--7.41426483133.0739153
NicotinamideNiacinamideME134941-C001537.463728325122.0479754
nicotinamide ribosideNicotinamide ribosideME134982--23.73487063254.0904065
nitrocyclohexane-ME135401--4.862534531129.0789943
N,N-DimethylglycineDimethylglycineME135313-C0102613.6547054103.0633301
N-NonanoylglycineN-NonanoylglycineME135160--4.686931264215.1523246
N-(octanoyl)-L-homoserine-ME135131--8.006053825245.1629253
nornorcapsaicin-ME135428--4.113578421277.1680844
N-palmitoyl phenylalanineN-Palmitoyl phenylalanineME135379--3.725069048403.3090815
N(pi)-Methyl-L-histidine3-MethylhistidineME134997-C0115212.90369608169.0850484
N-stearoyl histidineN-Stearoyl histidineME135350--4.81647644421.3307021
N-stearoyl tyrosineN-Stearoyl tyrosineME135416--4.440230901447.3354649
N-succinyl-L-citrullineN(2)-Succinyl-citrullineME135108--8.112556505275.1119989
N-α-acetyl-arginineN-AcetylarginineME135471--17.29773998216.1222219
O-AcetylcarnitineCAR 2:0ME135016-C0257110.92948221203.1158459
O-Acetylcarnitine_2CAR 2:0ME135325-C025719.859313232203.1157723
O-Acetylneuraminic acid-ME135101-C0352514.52954802309.1062292
O-ButanoylcarnitineCAR 4:0ME135170-C028628.720522547231.1472297
OctylamineOctylamineME135227-C0174015.14426246129.1517722
O-Phospho-L-serinePhosphoserineME135055-C0100516.09389427185.0090771
O-PropanoylcarnitineCAR 3:0ME135183-C030179.715375256217.131538
O-Succinyl-L-homoserineo-SuccinylhomoserineME135037-C0111815.26521722219.0744311
O-Succinyl-L-homoserine_2o-SuccinylhomoserineME135048-C0111814.11319766219.0741549
Ovothiol disulfide-ME135202--15.59151707228.0807702
p-aminobenzoyl glutamate4-Aminobenzoylglutamic acidME135358--14.09636399266.0906451
[PC (14:0/18:1)] 1-tetradecanoyl-2-(11Z-octadeceno...PC 14:0_18:1ME135290-C001574.001698859731.5465469
[PC (14:0/18:2)] 1-tetradecanoyl-2-(9Z,12Z-octadec...PC 14:0_18:2ME135267-C001574.017020218729.530678
[PC (14:0)] 1-tetradecanoyl-sn-glycero-3-phosphoch...LPC 14:0ME135005-C042304.764289261467.3013699
PC(14:1(9Z)/15:0)PC 14:1(9Z)/15:0*ME134975-C001573.60061597689.5000398
[PC (15:0/15:0)] 1,2-dipentadecanoyl-sn-glycero-3-...PC 15:0/15:0ME135293-C001574.032305836705.5311053
[PC (15:0)] 1-pentadecanoyl-sn-glycero-3-phosphoch...LPC 15:0ME135323-C042307.391431522481.3165779
[PC (16:0/16:0)] 1-hexadecanoyl-2-hexadecanoyl-sn-...PC 16:0/16:0ME135306-C001573.997990956733.5624016
[PC (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...PC 16:0_18:1ME135012-C001573.972996458759.5773923
[PC (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...PC 16:0_18:2ME135000-C001573.978891521757.5631108
[PC (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...PC 16:0_18:3ME135275-C001573.9921202755.5475815
[PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocho...LPC 16:0ME134980-C042304.635113258495.3327652
[PC (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...PC 16:0_20:4ME135273-C001573.951586287781.563085
[PC (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...PC 16:0_22:6ME135282-C001573.937276547805.5622449
[PC (16:0/3:0)] 1-hexadecanoyl-2-(2E-propionyl)-sn...-ME135237--4.328157709549.3432713
PC(16:0/5:0(CHO))-ME135469--4.344364575593.3696266
PC(16:0/5:0(COOH))-ME135468--4.238681493609.3645286
PC(16:0/P-18:1(11Z))-ME135296-C001573.96069887743.5826068
[PC (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...LPC P-16:0 or LPC O-16:1ME135281-C042304.575203007479.3375771
[PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholin...LPC O-16:0ME135385-C139034.682993364481.3534659
[PC (18:0/22:4)] 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-...PC 18:0_22:4ME135307-C001573.896356359837.6245437
[PC (18:0/22:5)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...PC 18:0_22:5ME135305-C001573.899875839835.6079548
PC(18:0/P-18:1(11Z))-ME135312-C001573.949931773771.61382
[PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosp...LPC 18:1ME135413--4.592374304507.3687127
[PC (18:1/18:1)] 1-(9Z-octadecenoyl)-2-(9Z-octadec...PC 18:1/18:1ME135288-C001573.94469576785.5936239
[PC (18:1/20:3)] 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z-...PC 18:1_20:3ME134988-C001573.911674426809.5944056
[PC (18:1/22:5)] 1-(11Z-octadecenoyl)-2-(7Z,10Z,13...-ME134993-C001573.905793792833.5928134
[PC (18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-...LPC 18:2ME134990-C042304.588762441519.3327441
[PC (19:3)] 1-(10Z,13Z,16Z-nonadecatrienoyl)-sn-gl...-ME135353--4.390239631531.3320387
PC(22:2(13Z,16Z)/P-18:1(11Z))-ME135279-C001573.888816468823.6449443
PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)-ME135265-C001573.898200847821.6295825
PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))-ME135292-C001573.898521376819.6135077
[PC (22:6)] 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaeno...LPC 22:6ME135256-C042304.471620493567.3329104
[PC acetyl(16:1)] 1-(9Z-hexadecenoyl)-2-acetyl-sn-...-ME135156--4.771731412535.3277206
[PE (16:0/16:0)] 1,2-dihexadecanoyl-sn-glycero-3-p...PE 16:0/16:0ME135309-C003503.614187643691.5149635
[PE (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...PE 16:0_18:2ME135263-C003503.817334207715.5154068
[PE (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...-ME135278-C003503.591685799713.5006234
[PE (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...PE 16:0_20:4ME135271-C003503.882570227739.5157064
[PE (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...PE 16:0_22:6ME135295-C003503.866487709763.5155973
[PE (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoeth...LPE 18:0/0:0ME135400--4.639872168481.3167259
[PE (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosp...LPE 18:1/0:0ME135432--7.393490409479.3019143
[PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,1...PE O-18:2/20:4ME134976-C003503.840738424751.5518139
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))-ME135280-C003503.866858262723.5201668
[PE (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...LPE 20:4ME135090--4.517630376501.2857764
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))-ME135286-C003503.84509383749.5358339
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))-ME135274-C003503.838307102777.5687555
Perillyl alcoholPerillyl alcoholME135370-C024524.135698672152.1200793
Phe-GlyPhe-GlyME135099--11.34077129222.1005752
PhenylethylmalonamidePhenylethylmalonamideME135121-C074999.109226693206.1056889
Phe-ProPhe-ProME135461--8.774294463262.1319188
Phe-TrpPhe-TrpME135449--9.710972862351.1578807
PhosphocreatinePhosphocreatineME134936-C0230514.82728228211.0359557
PhosphonoacetaldehydePhosphonoacetaldehydeME135320-C0316714.49328812123.9924043
PicolinamidePicolinamideME135420-C0195013.70104079122.0479953
PiperidinePiperidineME134987-C0174614.6609906685.08915205
Pro-Arg-HisPro-Arg-HisME135148--27.19667328408.2238345
Pro-Arg-His_2Pro-Arg-HisME135196--14.17730149408.2240638
Pro-ProPro-ProME135222--11.69261315212.1161482
Pro-Ser-SerPro-Ser-SerME135114--13.54554495289.1276268
ProtoporphyrinProtoporphyrinME135053-C021917.197971172562.2581376
PS(12:0/15:0)PS 12:0/15:0ME135181--4.139380718665.4269927
PS(18:0/18:1(9Z))PS 18:0/18:1(9Z)ME135326-C027374.005804927789.5512391
[PS (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...PS 18:0_20:4ME134978-C027373.639026775811.5376258
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))PS 18:0/22:5(7Z,10Z,13Z,16Z,19Z)*ME135261-C027373.627812011837.5525031
PS(22:1(11Z)/0:0)PS 22:1(11Z)/0:0ME135465--4.372031769579.3533231
PS(36:2)PS 36:2ME135220--3.916789617787.5366128
PS(38:2)PS 38:2ME135462--4.043806011815.5690052
PS(38:5)PS 38:5ME135383--3.655850828809.5205367
PS(40:4)PS 40:4ME135395--3.640690883839.5679194
psicoselysinePsicosyllysineME135169--21.21234821308.1584453
PS(O-16:0/22:2(13Z,16Z))PS O-16:0/22:2(13Z,16Z)*ME135412--4.011139551801.5886858
PS(O-18:0/20:3(8Z,11Z,14Z))PS O-18:0/20:3(8Z,11Z,14Z)*ME135450--4.006242126799.5737676
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))PS O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME135479--4.034936029795.5410096
PS(O-18:0/22:4(7Z,10Z,13Z,16Z))PS O-18:0/22:4(7Z,10Z,13Z,16Z)*ME135375--3.987193488825.5876747
PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))PS O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)*ME135403--4.000815697823.5718499
PyridoxalPyridoxalME134943-C002508.012744633167.0582556
PyridoxaminePyridoxamineME135008-C0053411.74885118168.089949
PyridoxinePyridoxineME134933-C003148.047185851169.0738938
Quinolin-2-ol2-HydroxyquinolineME135484-C063384.523051714145.0527339
RetronecineRetronecineME135178-C0617713.43616515155.0947569
RiboflavinRiboflavinME135031-C002558.525091535376.1382855
RicinineRicinineME135396-C015267.669951617164.0586411
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME134959-C0002113.47281389384.1221126
S-Adenosyl-L-methionineS-AdenosylmethionineME135010-C0001916.51303136398.1373906
(-)-SalsolinolSalsolinolME135100-C096429.102289878179.094683
SanguinarineSanguinarineME135201-C0616213.34066661331.0843264
S-Butyl-DL-homocysteine-[S,R]-sulfoximine-ME135480-C045438.868814189222.1034153
(S)-Coclaurine(S)-CoclaurineME134986-C061614.684417664285.1365068
SlaframineSlaframineME135118-C0618510.94030926240.1473396
Slaframine_2SlaframineME135185-C061859.600306954240.1473719
SM(d16:1/18:1)SM 16:1;O2/18:1ME135380--4.218314407700.5531425
SM(d16:1/22:1)SM 16:1;O2/22:1ME135391--4.133557344756.6155946
SM(d18:0/24:1(15Z)(OH))SM 18:0;O2/24:1;OME135291-C005504.150618963828.6718369
SM(d18:1/14:0)SM 18:1;O2/14:0ME135388--4.248740398674.5372671
SM(d18:1/17:0)SM 18:1;O2/17:0ME135408--7.181318328716.5840126
SM(d18:1/18:0)SM 18:1;O2/18:0ME135277-C005507.157334309730.599369
SM(d18:1/18:1(9Z))SM 18:1;O2/18:1(9Z)ME135264-C005504.180522037728.5843455
SM(d18:1/22:0)SM 18:1;O2/22:0ME135301-C005504.09373842786.6616678
SM(d18:1/22:1(13Z))SM 18:1;O2/22:1(13Z)ME135028-C005506.894623018784.6463373
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME134977-C005504.083980509812.6781155
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME134945-C0067014.30695632257.1029778
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME135039-C0123315.32512143215.0561569
(S)-Norcoclaurine(S)-NorcoclaurineME135337-C0616011.97225197271.1203272
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME135287-C001953.822594544537.512163
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phos...SM 18:1;O2/16:0ME135104--4.215772172702.5685206
[SP (2:0)] sphinga-4E,14Z-dienine4E,14Z-SphingadieneME135200--4.140742666297.2668873
[SP] 3-dehydrosphinganine3-KetosphinganineME135009-C029347.042811817299.2827954
[SP amino,tetramethyl(4:0/18:0/3:0)] 2S-amino-5,9,...AplidiasphingosineME135107--3.953386025369.3244727
[SP hydrox] 6-hydroxysphing-4E-enine6-HydroxysphingosineME135144--3.979286741315.2777732
[SP] Sphing-4-enine-1-phosphateSphingosine 1-phosphateME135338-C061247.424401828379.2490661
[SP] Sphinganine-1-phosphateSphinganine 1-phosphateME135335-C011207.429138335381.2647333
S-SuccinylglutathioneS-SuccinylglutathioneME135198-C0317415.90419508407.1000596
[ST (2:0)] 5alpha-cholesta-8,24-dien-3beta-olZymosterolME135321-C054374.946189519384.3393773
[ST (20:5)] cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z,1...CE 10:0ME135255-C025303.791014474670.5685568
[ST (3:0)] (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10...-ME135076--3.897836333360.2667719
[ST (3:0)] (5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,...-ME135080--3.855020078418.3085817
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol7-Dehydro-desmosterolME135328-C051073.881919672382.3242582
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME135115--5.243739259368.344621
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene_23-Deoxyvitamin D3ME135152--3.796802398368.3446834
StachydrineStachydrineME135173-C1017210.61631077143.0946512
StearoylcarnitineCAR 18:0ME135434--4.442496695427.3665728
[ST hydroxy(5:0)] 3-hydroxy-estra-1,3,5(10),6,8-pe...-ME135498-C143039.125223202266.1302072
SuberylglycineSuberylglycineME135492--9.472577468231.1108186
Succinyl prolineSuccinylprolineME135218-C1171111.75243361215.0794351
TazettineTazettineME135349-C121794.084024021331.1421836
Tenuazonic acidTenuazonic acidME135431-C085114.790852352197.1053231
TetradecanoylcarnitineCAR 14:0ME135143--4.697790427371.3036523
TetrapentylammoniumTetrapentylammoniumME135079-C138157.461457396297.3398664
ThalicsessineThalicsessineME135111-C0871410.72427046369.1935815
ThiaminThiamineME134929-C0037821.39037499264.1046477
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME135212-C0390113.2486113147.0353942
Thiomorpholine 3-carboxylate_2Thiomorpholine-3-carboxylic acidME135232-C0390114.66267427147.0354396
Thr-AlaThr-AlaME135133--13.86560244190.0954121
Thr-Ala-AspThr-Ala-AspME135387--14.37987924305.1226043
Thr-CysThr-CysME135159--12.38357981222.0672508
Thr-Cys_2Thr-CysME135233--8.350699151222.0672119
trans-Hexadec-2-enoylcarnitineCAR 16:1(2E)ME135419--4.590709332397.3195786
Tributyl phosphateTributyl phosphateME135138-C144394.015842908266.1648248
Tris(butoxyethyl)phosphate-ME135109-C144463.941693047398.243441
Trp-Trp-Tyr-Tyr-ME135392--10.5704306716.2955038
Tyr-OEtEthyl tyrosinateME135478-C014584.400311185209.1052834
UDPUDPME135025-C0001516.08096802404.0026998
UrethaneEthyl carbamateME135075-C015377.47924448289.04766455
Urethane_2Ethyl carbamateME135376-C015378.54500950789.04762807
UrocanateUrocanic acidME135052-C007857.232823886138.0428953
Val-Asn-AspVal-Asn-AspME135366--14.14770593346.1491535
ValeroidineValeroidineME135467-C108694.889973795241.167699
Val-GlyVal-GlyME135213--13.50702388174.1004197
Val-Pro-ArgVal-Pro-ArgME135194--13.88794284185.1165735
Val-SerVal-SerME135409--13.30661269204.1111462
VerticinePeimineME135445-C108303.702298645431.3404834
(Z)-4-Hydroxyphenylacetaldehyde-oxime-ME135014-C043536.120559584151.0634141
ZAPAZAPAME135357-C1369513.66520114146.0149873
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...-ME135386--15.93179868272.0299222


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
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME135994-C027744.027718347188.1412638
10-Oxodecanoate10-Oxodecanoic acidME136029-C022174.21588438186.125881
10-oxogeranial-ME135880-C176224.321411204166.0993269
1,2-dioctanoyl-1,2,6-hexanetriol-ME135951--3.672146897386.3032929
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME135669-C083174.298216045216.1724706
1,4-Bis(2-ethylhexyl) sulfosuccinate2-MethylacetophenoneME135781-C078743.589424674422.2345793
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamid...AICARME135809-C0467714.78053131338.0628235
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-oneME135993-C047184.75861349184.1099388
16-hydroxypalmitateJuniperic acidME136013--3.785166664272.2350627
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME135835-C0123414.06810775101.0476886
1-Aminocyclopropane-1-carboxylate_21-Aminocyclopropanecarboxylic acidME135850-C0123419.88854713101.0477089
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chlo...-ME135987--13.95355456340.10089
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthal...-ME135903-C147914.114335347225.5708304
(1S,2R,4S)-(-)-Bornyl acetate(1S,2R,4S)-Bornyl acetateME135980-C098373.935508216196.1462673
2,2-Iminodipropanoate-ME135705-C032109.28994027161.068831
2,3,5-Trihydroxytoluene2,3,5-TrihydroxytolueneME135924-C0333814.84536388140.0473961
2,3-Bisphospho-D-glycerate2,3-Diphosphoglyceric acidME135513-C0115918.11897433265.9593375
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME135972-C0452112.98489284291.0954323
2-(Acetamidomethylene)succinate-ME135890-C0121514.52019103187.0480203
2-Acetolactate2-AcetolactateME135832-C0090014.65585487132.0423035
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphateME136045-C0464114.11715499334.0668721
2(alpha-D-Mannosyl)-D-glycerate2-(alpha-D-mannosyl)-D-glyceric acidME135626-C1154414.21388718268.0794829
2-Aminoacrylate2-Aminoacrylic acidME135816-C0221819.9102004787.03210422
2-Aminomalonate semialdehyde-ME135782-C1182210.70862058103.0270045
2-ButenoateCrotonic acidME135955-C0177114.6598470786.03674717
2-Butyne-1,4-diolBut-2-yne-1,4-diolME135921-C0249717.8561877886.03661155
2-Dehydro-3-deoxy-D-gluconateGluconolactoneME135643-C0020412.10267619178.0477395
2-Dehydro-3-deoxy-L-arabinonate-ME135839-C0068412.40692041148.0371639
2-Dehydro-D-xylonate(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME135748-C0292815.88502994164.0321651
2-Dehydro-D-xylonate_2(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acidME135933-C0292812.88424578164.0321474
2-Deoxymugineic acid-ME135704-C1548516.42090621304.1273327
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME135676-C033433.854516238278.1517827
2-Formaminobenzoylacetate-ME135565-C058354.982896075207.0532919
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME135945--7.389492849356.0531888
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME135837-C0059614.66637808114.0317311
2-Hydroxybutane-1,2,4-tricarboxylateHomocitric acidME135586-C0125116.97978351206.0427117
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME135593-C0512310.6700773125.9987301
2-Hydroxyethanesulfonate_22-HydroxyethanesulfonateME135841-C051237.358446641125.9986664
2-hydroxymethanesulfonate-ME135757--12.96776904111.9830732
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate-ME135825-C0469019.91435838217.0585566
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone-ME135731--4.782226994242.1518272
2-Octenedioicacid2-Octenedioic acidME135970--7.301107833172.0735829
2-OxoadipateOxoadipic acidME135852-C0032214.39685784160.0371812
2-Oxoglutaramate2-Keto-glutaramic acidME135570-C009407.546246523145.0375648
2-Oxoglutarate2-Oxoglutaric acidME135538-C0002615.35135908146.0215762
2-Oxooctadecanoic acid2-Oxo-octadecanoic acidME135770-C008693.752289881298.2509983
2-oxosuberate-ME135671-C1658914.88635245188.0684537
2-Oxosuccinamate2-Oxosuccinamic acidME135649-C023628.813233576131.0218744
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate-ME135763-C063269.556933025189.1001614
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_2-ME135953-C0632610.93373349189.1001088
2-(sulfomethyl)thiazolidine-4-carboxylate-ME135660--15.97342187226.9922581
2-trans,6-trans-Farnesal(2-trans,6-trans)-FarnesalME135746-C034614.250755268220.1826992
3,4-dihydroxybenzylamine3,4-DihydroxybenzylamineME135691--7.424162462139.0633584
3,4-Dihydroxymandelaldehyde3,4-DihydroxymandelaldehydeME135654-C0557715.01326346168.0424429
3,4-Dihydroxypyridine-ME135944-C0293219.90296628111.0318083
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME135616-C011797.681496925180.0422809
3,6,8-Trimethylallantoin-ME135559-C1636213.05630054200.0908691
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid-ME136031--4.219741561226.1205432
3-acetyl pyridine adenine dinucleotide-ME135771--16.94925956331.0575575
3-(ADP)-glycerate-ME136038-C0250916.32327744515.0454921
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-alME135644-C013013.952326394434.3398432
3beta-Hydroxyandrost-5-en-17-one 3-sulfateDehydroepiandrosterone sulfateME135818-C045553.759665469368.1660239
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME135999--4.697019176240.0999043
3-Dehydrocarnitine3-DehydrocarnitineME135808-C0263613.37404645159.0895934
3-Dehydroquinate3-DehydroquinateME135639-C0094414.07820021190.0477377
3-dimethylsulfoniopropionaldehyde-ME135926--14.62945674118.045229
3-hydroxyacyl group of bacterial toxin-ME135876-C115484.204818596711.4334536
3-Hydroxydodecanedioicacid3-Hydroxy-dodecanedioic acidME136026--4.793915733246.1467567
3-Methylbutanoic acidIsovaleric acidME135853-C082627.408236302102.0680676
3-Phospho-D-glycerate3-Phosphoglyceric acidME135516-C0019716.71888783185.9929442
3-Phospho-D-glyceroyl phosphate3-Phospho-D-glyceroyl dihydrogen phosphateME135552-C0023615.6639721265.9592708
3-Phosphonopyruvate-ME135627-C0279815.88967402167.9824025
(3R)-beta-Leucinebeta-LeucineME135584-C0248613.89791157131.0946414
3-Sulfino-L-alanine3-Sulfino-alanineME135558-C0060614.22200791153.0095235
3-Sulfolactate3-Sulfolactic acidME135632-C1606917.32563292169.9885979
3-sulfopropanoate-ME135697--16.26064025153.993677
4-(2-Aminophenyl)-2,4-dioxobutanoate4-(2-Aminophenyl)-2,4-dioxobutanoic acidME135556-C012527.413209974207.0532012
4-(2-Aminophenyl)-2,4-dioxobutanoate_24-(2-Aminophenyl)-2,4-dioxobutanoic acidME135843-C0125213.74228758207.0533593
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME135873-C1135513.07107597225.0637473
(4E)-2-Oxohexenoic acid2-Oxo-4E-hexenoic acidME135756-C067614.786297273128.047405
4-Hydroxyhexan-3-one4-Hydroxyhexan-3-oneME135716-C029487.295139058116.0837454
4-HydroxyphenylacetylglycineHydroxyphenylacetylglycineME135563-C055967.339533604209.0688848
4-Hydroxyphenylacetylglycine_2HydroxyphenylacetylglycineME135894-C0559615.75224727209.0690407
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehydeME135640-C0479614.66635927229.0584874
4-Methylene-L-glutamate-ME135710-C0065113.28659512159.0531469
4-Methylpentanal4-MethylpentanalME135557-C023734.194767726100.088821
4-Nitroaniline4-NitroanilineME135728-C0212612.06429961138.0430485
4-Nitrophenyl-3-ketovalidamine-ME136044-C0399514.16548123296.1010329
4-Oxoglutaramate4-Oxoglutaramic acidME135817-C0557216.69484894145.037588
4-Propylphenol4-PropylphenolME135775-C143114.749775934136.0888759
5,6-Dihydroxyindole-2-carboxylate5,6-Dihydroxyindole-2-carboxylic acidME135655-C041857.413560862193.037604
5-Acetamidopentanoate5-Acetamidovaleric acidME135571-C030877.411103012159.0895649
5-Acetamidopentanoate_25-Acetamidovaleric acidME135624-C0308711.91618977159.0894825
5beta-Cyprinolsulfate5beta-Cyprinol sulfateME135550-C054683.936684844266.1535109
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone-ME135712-C0129513.75669329192.0634857
5-Dehydro-4-deoxy-D-glucarate-ME135603-C0067915.10560376192.0272807
5-Deoxy-5-aminoshikimic acidAminoshikimateME135683-C1212119.65427213173.0688497
5-Hydroxycotinine-ME135866--7.47978605192.0899538
5-Hydroxyectoine5-HydroxyectoineME135885-C1643213.47887845158.0690756
5-Hydroxyisourate5-Hydroxyisouric acidME135877-C1182113.04983414184.0232036
5-Hydroxypentanoate5-Hydroxyvaleric acidME135941-C028047.411303389118.0630274
5-Phenyl-1,3-oxazinane-2,4-dione-ME135897-C165964.511756679191.0582605
6-Acetyl-D-glucose6-AcetylglucoseME135943-C0265515.77952844222.0739892
6-Acetyl-D-glucose_26-AcetylglucoseME135961-C0265514.01298361222.0741948
[6]-GingerolGingerolME135747-C104623.917712019294.1832363
(+/-)-6-Hydroxy-3-oxo-alpha-ionone(6S)-DehydrovomifoliolME136024-C042234.360909132222.1257144
6-Phospho-D-gluconate6-Phosphogluconic acidME135522-C0034517.4771367276.0247564
(6Z)-Octadecenoic acid6-Octadecylenic acidME135722-C083636.002920268282.2559783
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one7alpha,12alpha-Dihydroxy-5beta-cholestan-3-oneME135886-C054534.24859254418.3446671
7E,9E,11-Dodecatrienyl acetate7E,9E,11-Dodecatrienyl acetateME135979--3.918743452222.1619829
8-keto-7-aminoperlagonate-ME135992--4.821822591185.1052179
9-Oxononanoic acid9-Oxo-nonanoic acidME135881-C163224.586600407172.1099674
(9Z)-Hexadecenoic acidPalmitoleic acidME135862-C083623.799986921254.2247458
(9Z)-Tetradecenoic acidMyristoleic acidME136006-C083223.865226166226.1929296
Abscisic acid glucose ester-ME135633-C159704.359858031212.1048754
Abscisic aldehydeAbscisic aldehydeME135889-C134554.303040875248.141374
Acetyl-CoAAcetyl-CoAME135573-C0002412.07006829404.5630269
ADPADPME135587-C0000814.80991224427.0295015
ADP ribose 1,2-phosphate-ME135950--16.43466417310.5140268
A-Ketoglutaricacidoximealpha-Ketoglutaric acid oximeME135783--7.901420539161.0324268
Ala-Asn-AspAla-Asn-AspME136003--15.12556037318.117843
Ala-AspAla-AspME135956--16.05518144204.0746252
Ala-Asp-AspAla-Asp-AspME135695--16.76408036319.1017114
Ala-Asp-SerAla-Asp-SerME135925--14.71114762291.1070239
Ala-Ser-HisAla-Ser-HisME136002--14.49270986313.1382567
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME135594-C0615615.15128039259.0456995
alpha-D-Glucosamine 1-phosphate_2Glucosamine 1-phosphateME135617-C0615611.9882061259.0460404
alpha-D-GlucoseGlucoseME135602-C0026722.84381013180.0634495
alpha-D-MannoheptulopyranoseManno-heptuloseME135738-C0823612.10324462210.0743148
alpha-(Methylenecyclopropyl)glycineCPD-9757ME135936-C0829223.00401696127.0633807
ancymidolAncymidolME135723--4.449309285256.1208676
ApioleApioleME135692-C104294.229775747222.0893395
ArecolineArecolineME135687-C101294.721362009155.0947428
Arg-Cys-Gln-Tyr-ME135739--14.53687798284.1210058
Arg-Leu-Val-Asn-ME135717--21.68590165250.1530574
AscorbateVitamin CME135619-C0007215.01768904176.0320752
Asn-Asp-Asp-Pro-ME136041--14.33869643459.1593235
Asn-Asp-GlyAsn-Asp-GlyME135991--15.65096276304.1020731
Asn-Gln-Tyr-His-ME135800--12.2266304560.2336032
Asn-GlyAsn-GlyME135656--12.85239063189.0748834
Aspartyl-L-prolineAsp-ProME135711--15.22175385230.0901656
Asp-AspAsp-AspME135707--17.15169671248.0644012
Asp-Asp_2Asp-AspME135794--12.8195013248.0648872
Asp-GlnAsp-GlnME135971--17.00572398261.0960839
Asp-Gly-SerAsp-Gly-SerME136046--15.5303863277.0911994
Asp-Gly-TyrAsp-Gly-TyrME136039--14.01078596353.1222897
AspidinolAspidinolME136036-C106733.954860271224.1048292
Asp-Leu-Lys-Lys-ME135732--22.05928952502.3118731
Asp-Met-Cys-Cys-ME135799--14.32314546470.097025
Asp-SerAsp-SerME135931--15.4834702220.0694784
BenzoateBenzoic acidME135519-C001807.409190517122.0368048
BenzofuranBenzofuranME135939-C145124.261381204118.0417267
beta-D-GlucoseGlucoseME135618-C0022126.42916025180.0634335
BotrydialBotrydialME135995-C096223.88670908310.1785092
Brassicanal ABrassicanal AME136015-C110484.422050014191.0405797
Butanoic acidButyric acidME135583-C002467.41558672488.05244151
CAI-1-ME135682-C166403.893814148214.1932122
CamoensineCamoensineME135949-C107588.458324033230.1414667
CantleyineCantleyineME135662-C099334.799109813207.0895476
CapryloylglycineCapryloylglycineME135666--7.379727018201.1365215
Capryloylglycine_2CapryloylglycineME135764--4.707806044201.136704
CardiosperminCardiosperminME135714-C0832812.9881462275.1004679
CDPCDPME135892-C0011216.78618466403.0185607
Cer(d18:2/16:0)Cer 18:2;O2/16:0ME136004--3.866242986535.4965473
CholesterolsulfateCholesterol sulfateME135952--3.588732049466.3119075
cis-1,2-Dihydro-3-ethylcatecholcis-1,2-Dihydro-3-ethylcatecholME135900-C0672711.91996894140.0838011
cis-3-Chloroacrylic acidcis-3-Chloroacrylic acidME135904-C066157.671277397105.9821651
CitrateCitric acidME135520-C0015817.89231851192.0269849
Clitidine 5-phosphateClitidine 5'-phosphateME135947-C0842913.43067476350.0514736
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME135884-C0012814.9412333614.1479188
CoA-glutathioneGlutathionyl-CoAME135709-C0092016.75938181536.0919972
Cyanuric acidCyanuric acidME135898-C0655411.64030592129.0174914
Cyclic ADP-riboseCyclic ADP-riboseME135811-C1305013.79301929541.0604339
Cyclohexane-1,3-dioneCyclohexane-1,3-dioneME136007-C010664.399335853112.0524547
Cys-Met-Met-Phe-ME135790--12.55013809530.1695016
Cys-Met-Pro-His-ME135729--14.42601517243.0863142
Cys-Thr-Ser-Tyr-ME135767--10.01238902236.0810181
D-Alanyl-D-alanineD-Alanyl-D-AlanineME135642-C0099311.11332472160.0847775
dATPdATPME135560-C0013115.43068074491.0012268
Decanoic acidCapric acidME135531-C015714.0660057172.1463673
DehydrojuvabioneDehydrojuvabioneME135768-C096573.711209962264.1724333
Demethyltorosaflavone DDemethyltorosaflavone DME135964--4.812966883356.0532246
D-FructoseFructoseME135528-C0009512.848369180.0634006
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME135515-C0035417.76309756339.9961638
D-GalactoseGalactoseME135638-C0012424.226259180.0634341
D-GalacturonateGalacturonic acidME135622-C0033314.35672201194.0426203
D-GlucarateGlucaric acidME135608-C0081816.78227863210.037665
D-Gluconic acidGluconic acidME135543-C0025713.48671778196.0582734
D-GlucoseGlucoseME135527-C0022114.73953274180.0633782
D-Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME135840-C0011814.98403848169.998087
D-GlycerateGlyceric acidME135568-C0025811.7669498106.0266164
DichloroacetateDichloroacetic acidME135905-C111497.395475873127.9432126
DiethofencarbDiethofencarbME135786-C110774.056531579267.1468677
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME135758-C040674.816468122202.0842067
Diethyl adipate-ME135773-C145664.303080785202.1204988
dihomocitrate-ME135996-C1658317.37592473220.0583346
D-MannoseMannoseME135620-C0015925.31756766180.063436
D-Mannose 6-phosphateMannose 6-phosphateME135607-C0027514.84969202260.0296347
DocosahexaenoicacidDocosahexaenoic acidME135869-C064293.725446905328.2406469
Docosanoic acidBehenic acidME135870-C082813.697852352340.3343021
Dodecanedioic acidDodecanedioic acidME136034-C026784.117562882230.1517614
D-ProlineD-ProlineME135569-C0076324.17565184115.0633645
D-Ribose 5-phosphateRibose 5-phosphateME135523-C0011715.22520022230.0190688
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME135566-C0538215.9315475290.0404141
D-SorbitolSorbitolME135537-C0079413.92128727182.0790087
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose-ME135664-C0661810.16924776265.0351115
dXMP-ME135736--15.05817523348.0471758
D-XylonolactoneD-Xylono-1,5-lactoneME135612-C0226614.82876622148.0371954
D-XyluloseL-RibuloseME135827-C0031014.69150863150.0529593
EcgonineEcgonineME135708-C1085811.01628286185.1052391
ethanedisulfonate-ME135673-D0733010.4271350394.98025232
ethyl-(2R)-methyl-(3S)-hydroxybutanoate-ME136022--4.614501026146.0943167
Ethyl 3-oxohexanoateEthyl 3-oxohexanoateME135986-C029757.377532875158.0942741
ethylpyruvate-ME135733--4.843604417116.0473747
Ethyl (R)-3-hydroxyhexanoateEthyl (R)-3-hydroxyhexanoateME136010-C038644.597244977160.1099364
[FA (10:1/2:0)] 2E-Decenedioic acid-ME136030--4.650442814200.1050114
[FA (11:0)] undecanoic acidUndecylic acidME135684--3.996659899186.1619586
[FA (11:1)] 10-undecenoic acid10-Hendecenoic acidME135719-C139104.014645772184.1463281
[FA (13:0/2:0)] Tridecanedioic acidTridecanedioic acidME135696--4.808469626244.1674961
[FA (13:2)] 3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME135741--3.8754903210.1620874
[FA (14:0/2:0)] Tetradecanedioic acidTetradecanedioic acidME135658-C110024.13338501258.1832173
[FA (14:2)] 5,8-tetradecadienoic acid5,8-Tetradecadienoic acidME135981--3.82695642224.1778536
[FA (17:0)] heptadecanoic acidMargaric acidME135755--3.768823628270.2558714
[FA (18:1)] 9Z-octadecenoic acidOleic acidME135588-C007123.758274481282.2559796
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic...9S-HpODEME135610-C148273.865259494312.2299422
[FA (18:2)] 9Z,11E-octadecadienoic acidRumenic acidME135614-C040567.322869429280.2402743
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatri...13S-HpOTrEME135860-C047853.851340254310.2142157
[FA (20:0)] 11Z-eicosenoic acidcis-Gondoic acidME135856-C165263.732586802310.2871431
[FA (20:0/2:0)] Eicosanedioic acidEicosanedioic acidME135743--3.704954366342.2770969
[FA (20:0)] eicosanoic acidArachidic acidME135631-C064253.721054209312.3031347
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic ...-ME135789--3.731355337340.261994
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acidArachidonic acidME135849-C002193.807348739304.2404554
[FA (22:0)] 13Z-docosenoic acidcis-Erucic acidME135651-C083163.70960738338.3185142
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acidAdrenic acidME135630-C165273.721345899332.2718919
[FA (24:0)] 15Z-tetracosenoic acidNervonic acidME135891-C083233.677698684366.3497607
[FA (8:0)] octanoic acidCaprylic acidME135545-C064234.349274454144.115039
[FA (8:1)] 2Z-octenoic acid-ME136011--4.348771107142.0994449
FADFADME135546-C0001611.19496882785.1575392
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...-ME136008--3.834918564240.2090349
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid4,7-Dioxo-octanoic acidME135772--10.75295341172.0736311
FagomineFagomineME135724-C1014412.07788674147.0895163
Fagomine_2FagomineME135969-C1014413.14336898147.0896095
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid-ME135915--4.106726808200.1413212
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...DepdecinME136025--4.754454839228.0998411
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid-ME135780--3.998499335230.1881389
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid-ME136017-C030453.815741559300.2667285
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadien...9S-HODEME135861-C147673.783816036296.2350495
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicos...15S-HETEME135806-C047423.815943556320.2354899
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid-ME135745--4.815226598132.0786609
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc ...2,4-Dihydroxy-2-heptenedioic acidME135577-C0620110.71272044190.0478014
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxyp...-ME135788--7.830176152427.2934945
[FA methyl(14:0)] 12-methyl-tetradecanoic acid-ME136005-C166653.812900637242.224675
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol-ME135688--4.063748093314.3186502
[FA methyl(6:0)] 2-methyl-hexanoic acid-ME135762--4.539999815130.099422
[FA] Methyl jasmonateMethyl jasmonateME135882-C115124.196247043224.1412789
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acidTraumatinME135646-C163094.041198109212.1413459
[FA oxo(16:0)] 3-oxo-hexadecanoic acid3-Ketopalmitic acidME136009--3.773339451270.2194299
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic...15-Deoxy-delta-12,14-PGJ2ME135581-C147174.067060256316.2043142
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl...-ME136019--4.214459769238.1569546
[FA oxo(7:0)] 2-oxo-heptanoic acid-ME136020--4.322040085144.0786702
[FA oxo(8:0)] 3-oxo-octanoic acid-ME135777--4.5252823158.0942831
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid(S)-5-Amino-3-oxohexanoateME135580-C0365614.19925421145.0739197
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid_2(S)-5-Amino-3-oxohexanoateME135625-C0365612.62464727145.0739104
Farnesoic acidFarnesoic acidME135668-C165023.887055908236.1777397
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-oc...9,12,13-TriHOMEME135606-C148334.395887348330.2406842
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic aci...-ME135744--16.18132116136.037436
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME135555-C0162012.3391338136.037264
Flaccidin BFlaccidin BME135665-C089434.829686674748.4410319
FumarateFumaric acidME135535-C0012214.7608308116.0109621
Furfural diethyl acetal-ME135776-C142804.26365718170.0942606
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2...-ME136042--4.819839767358.1045778
GalactinoldihydrateGalactinolME135960--13.8503126378.1374835
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME135721-C0454412.91787267321.0995035
GDP-L-fucoseGDP-L-fucoseME135599-C0032517.31727051589.0825365
GDP-mannoseGDP-mannoseME135524-C0009617.93791257605.0772289
Gentisate aldehydeGentisate aldehydeME135564-C055854.785461819138.0316947
Gentisyl alcoholGentisyl alcoholME135976-C1079212.85188505140.0473246
Glu-Asp-CysGlu-Asp-CysME135703--11.34152157365.0894324
Glu-Asp-MetGlu-Asp-MetME135769--15.03814012393.1206126
Glucosyl sphingosinePsychosineME135929--4.554659178461.3353265
Glu-Cys-CysGlu-Cys-CysME135663--11.49791357353.0716712
Glu-Cys-Cys_2Glu-Cys-CysME135787--16.19997823353.0713155
Glu-GluGlu-GluME135753-C0142516.79268387276.0960043
Glu-Glu_2Glu-GluME135795-C0142513.02297605276.0957731
Glu-LeuGlu-LeuME135706--10.83217662260.1371512
Glu-Met-Cys-His-ME135796--12.8820527259.0805464
Glu-Met-Met-His-ME135720--14.21401643273.0960386
Glu-SerGlu-SerME136023--15.09932631234.0850842
GlutarylglycineGlutarylglycineME136012--8.461041629189.0635778
GlutathioneGlutathioneME135526-C0005113.92350954307.083759
glutathione-sulfite-ME135760--18.90549495387.0408527
Glu-Thr-ThrGlu-Thr-ThrME135965--13.83511482349.1487349
GlycerolGlycerolME135553-C0011610.2986778392.04736412
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME135974-C0327413.19644854246.050516
GlycochenodeoxycholateGlycochenodeoxycholic acidME135859-C054664.569219571449.3148033
GlycylprolineGly-ProME135698--13.42215464172.0847669
GMPGMPME135597-C0014416.39856762363.0582621
GMP-N-ε-(N-α-acetyl lysine methyl ester) 5-phosp...-ME135912--14.34479167547.1800567
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...-ME135865-C004163.631076229674.4887452
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphat...LPA 16:0ME135815-C004164.634224795410.243018
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...PA 18:0_18:2ME135858-C004163.659808213700.5039475
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphat...LPA 18:0ME135822-C004164.51401264438.2738002
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...-ME135670--4.105440636458.2434842
HEPES-ME135674--10.5281793238.098515
herbicide 14A-ME135909--11.57782647298.0122716
Hexadecanoic acidPalmitic acidME135539-C002493.793375738256.240079
Hexanoic acidCaproic acidME135549-C015854.76947787116.0837533
His-Met-Trp-Ser-ME135751--12.609089559.2223867
HomogentisateHomogentisic acidME135621-C0054410.73849396168.0423249
homovanillateHomovanillic acidME135634-C055828.789861889182.0579432
Hydantoin-5-propionateHydantoin-5-propionic acidME135623-C0556515.15116342172.0484599
hydrogen iodide-ME135725-C055909.023740931127.9123601
HydroxymethylphosphonateHydroxymethylphosphonic acidME135937-C0645514.1588455111.9924269
hydroxypyruvaldehyde phosphateHydroxypyruvaldehyde phosphateME135906--12.54777064167.982433
HydroxypyruvateHydroxypyruvic acidME135648-C0016815.46160171104.0109567
Hymexazol O-glucosideHymexazol O-glucosideME136043-C1110212.86522787261.0848158
Icosadienoic acid11Z,14Z-Eicosadienoic acidME135821-C165253.738502123308.2716201
Icosatrienoic acidETrE(11Z,14Z,17Z)ME135874-C165223.752073582306.2564068
IminoaspartateIminoaspartic acidME135652-C058409.968733317131.0218
Indole-3-acetaldehydeIndoleacetaldehydeME135591-C006374.480790933159.0683141
indole-3-acetyl-valine-ME135940--8.465407521274.1314428
Indole-5,6-quinoneIndole-5,6-quinoneME135595-C055795.448583579147.0320192
IndoxylsulfateIndoxyl sulfateME135916--7.419286225213.0096621
(-)-jasmonoyl-L-valine-ME136048--3.843399384309.1939033
L-2-Amino-3-oxobutanoic acidL-2-Amino-3-oxobutanoic acidME135820-C0350814.16436891117.0424637
L-2-Aminoadipate 6-semialdehydeAllysineME135846-C040767.429184211145.0739137
L-Ala-L-Glu-ME135759--13.54646072218.0904346
L-Ala-L-Glu_2-ME135918--14.78574245218.0900739
L-Arabinonate-ME135805-C0054513.42087283166.0478832
L-AspartateAspartic acidME135530-C0004914.6433192133.0375169
L-Aspartate 4-semialdehydeAspartate-semialdehydeME135582-C0044113.11912641117.0426358
LaudanosineN-MethyltetrahydropapaverineME135699-C095583.790040783357.1946353
L-CysteateCysteic acidME135647-C0050615.32979469169.0045588
L-CysteineCysteineME135893-C0009716.10894559121.0196948
L-CysteinylglycinedisulfideCysteinylglycine disulfideME135667--15.01268457297.0454443
L-DehydroascorbateL-Dehydroascorbic acidME135605-C0542217.66942185174.0164359
L-ErythruloseErythruloseME135675-C0204510.43609054120.0422246
Leu-Ala-AspLeu-Ala-AspME136040--10.75981845317.1588161
Leu-Asp-GlyLeu-Asp-GlyME135797--11.52607077303.1431478
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME135855-C0116513.00132822131.0582731
L-Glutamate 5-semialdehyde_2L-Glutamic-gamma-semialdehydeME135871-C011658.371853678131.0582682
L-GlycericacidGlyceric acidME135917--13.36059117106.0266387
L-Histidinol phosphateL-Histidinol phosphateME135574-C0110013.93597565221.0564529
L-Hypoglycin-ME135677-C0828712.77879533141.0790444
LinoleateLinoleic acidME135851-C015953.769770668280.2402855
L-NoradrenalineNorepinephrineME135641-C0054713.73143817169.0738693
LPA(0:0/16:0)LPA 0:0/16:0ME135838-C004167.39328311410.2431329
LPA(0:0/18:0)LPA 0:0/18:0ME135810-C004167.381761409438.2742887
LPA(0:0/18:1(9Z))LPA 0:0/18:1(9Z)ME135842-C004164.606492869436.2583948
LPA(0:0/18:2(9Z,12Z))LPA 0:0/18:2(9Z,12Z)*ME135845-C004164.130383094434.2436798
LPA(18:2(9Z,12Z)/0:0)LPA 18:2(9Z,12Z)/0:0*ME135802-C004167.364927775434.2436219
L-RhamnoseRhamnoseME135598-C0050711.86754222164.0685693
(L-Seryl)adenylateL-Seryl-adenylateME135700-C0582013.65038711218.0555214
Lys-AspLys-AspME135934--16.58522538261.1324762
LysoPC(20:3(5Z,8Z,11Z))LPC 20:3(5Z,8Z,11Z)ME135650-C042303.824425607545.3478827
LysoPE(0:0/20:2(11Z,14Z))LPE 0:0/20:2(11Z,14Z)*ME135920--4.465231877505.3162321
MaleamateMaleamateME135813-C015967.369127839115.0269551
Maleamate_2MaleamateME135848-C0159614.76099305115.0269352
(-)-Medicocarpin-ME135791-C1622314.00257167432.1412775
MelibiitolMelibiitolME135653-C0539913.85658205344.1320172
melibionate-ME135954--14.89583844358.1112949
MesaconateMesaconic acidME135637-C0173211.42034136130.026651
Met-AlaMet-AlaME136052--7.382055219220.0879044
Met-Gly-ArgMet-Gly-ArgME135680--13.18192103181.0868891
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-...-ME135962-C114944.057523103288.1472059
Met-Met-Pro-Tyr-ME135910--17.34558493540.2084261
MG(0:0/24:1(15Z)/0:0)MG 0:0/24:1(15Z)/0:0ME135930--3.611756185440.3868513
momilactone AMomilactone AME135715-C180153.980166186314.1885691
Monomethyl sulfateMethyl sulfateME135730-C027048.242760786111.9830387
Muramic acidMuramic acidME135740-C0647014.1223928251.1006851
Muramic acid_2Muramic acidME135928-C0647012.98831973251.1005358
myo-InositolMyo-inositolME135525-C0013716.96899956180.0634329
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME135636-C1298612.10004427203.0796094
N2-Acetyl-L-aminoadipate_2N-Acetyl-2-aminoadipic acidME135804-C1298615.31861266203.0792735
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine-ME135983--3.901451111537.4756727
N3-fumaramoyl-L-2,3-diaminopropanoate-ME135727--14.6044357202.058891
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME135830-C0454014.60028458335.1329885
N4-(Acetyl-beta-D-glucosaminyl)asparagine_2AspartylglycosamineME135834-C0454015.80299898335.1332459
n-AcetylasparagineN-AcetylasparagineME136035--11.19301887174.0640818
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME135742-C1548010.83045973205.0948753
N-Acetyl-D-fucosamine_2N-Acetyl-D-fucosamineME135785-C154808.217878372205.0952284
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME135737-C0113313.60815283237.0848317
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME135590-C0014012.11731747221.0898582
N-Acetyl-D-glucosamine 1,6-bisphosphateN-Acetyl-D-glucosamine 1,6-bisphosphateME135678-C0446116.596247381.0227469
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME135826-C0035714.45496669301.0562988
N-AcetylgalactosaminateN-AcetylgalactosaminateME136047-C0340815.14108114235.0692374
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME135807-C012507.416784212173.0688262
N-Acetyl-L-glutamate 5-semialdehyde_2N-Acetyl-glutamate 5-semialdehydeME135857-C0125014.00770918173.0688768
N-Acetyl-L-leucineN-AcetylleucineME135659-C027107.408579872173.1052488
N-Acetyl-L-leucine_2N-AcetylleucineME135967-C0271011.73450342173.1052759
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME135803-C035197.398267444207.0895139
N-AcetylmuramateN-Acetylmuramic acidME135645-C0271311.59819559293.111175
N-AcetylneuraminateN-Acetylneuraminic acidME135567-C0027013.18239482309.1061496
N-Butyryl-L-homoserine lactoneN-Butyryl-L-homoserine lactoneME135946-C118377.418123835171.0896005
N-Butyryl-L-homoserine lactone_2N-Butyryl-L-homoserine lactoneME135982-C118374.957546836171.0896062
Neuraminic acidNeuraminic acidME136032-C0646914.20493811267.0954453
N-Formyl-L-aspartateN-Formyl-aspartic acidME135887-C0104415.28706812161.0324124
N-Formyl-L-methionineN-FormylmethionineME135867-C031457.41578685177.045901
N-Glycolyl-D-glucosamineN-Glycolyl-D-glucosamineME135984-C0314615.21497172237.0848735
N-Glycosyl-L-asparagineN-Glycosyl-asparagineME135685-C0341114.11931237294.1064117
N-hexanoyl-D,L-homoserine lactone-ME136016--4.511086053199.1208124
N-Hydroxy-1-aminonaphthalene-ME135902-C147895.6409693159.0683915
N-hydroxyisoleucineN-hydroxyisoleucineME136000--8.460362957147.0895285
Nitrilotriacetic acidNitrilotriacetic acidME135792-C1469513.54409786191.043072
N-(L-Arginino)succinateArgininosuccinic acidME135879-C0340616.4968689290.1231033
nocardicin G-ME135975-C1735513.85241195385.1272694
N-oleoyl threonineN-Oleoyl threonineME136037--3.696907397383.3036852
Nonanoic acidPelargonic acidME135761-C016014.173985661158.1306683
nonulose 9-phosphateNonulose 9-phosphateME135702--16.3938399350.0616746
nonulose 9-phosphate_2Nonulose 9-phosphateME136053--14.34432504350.0618699
NorepinephrinesulfateNorepinephrine sulfateME135689--18.67989163249.0307246
N-Succinyl-L-glutamateN2-SuccinylglutamateME135863-C0593114.89503233247.0691424
N-Succinyl-L-glutamate_2N2-SuccinylglutamateME135896-C0593117.25675214247.0694716
N-UndecanoylglycineN-UndecanoylglycineME135765--4.491427829243.1835982
N-Undecanoylglycine_2N-UndecanoylglycineME135989--7.327220482243.1834314
O-Acetyl-L-homoserineO-Acetyl-homoserineME135604-C0107711.05096295161.0688595
O-Acetyl-L-homoserine_2O-Acetyl-homoserineME135812-C0107712.98795458161.0688388
ObliquineObliquineME135907-C121834.641412751448.1994603
Octadecanoic acidStearic acidME135868-C015303.752110136284.2715149
octulose 8-phosphateOctulose 8-phosphateME135922--16.02582756320.0510107
omega-Cyclohexylundecanoic acidCyclohexaneundecanoic acidME135998-C121003.78394325268.2403531
Orotate(Fragment)Orotic acidME135872-C0029512.19383654112.0272331
OrotidineOrotidineME135548--12.20845877288.0593772
OtonecineOtonecineME135694-C103567.409791374185.1051789
OxalateOxalic acidME135532-C0020917.4952722589.99532081
OxalosuccinateOxalosuccinic acidME135864-C0537916.36929888190.0114319
OxoamideOxoamideME135823--5.420949809192.0899572
PA(36:1)PA 36:1ME135985--3.589678378702.5194827
PA(36:3)PA 36:3ME135942--3.656282364698.4883695
PA(36:4)PA 36:4ME135938--3.609996166696.4736491
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosp...-ME135973--4.471175719465.3224409
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-pho...LPC 17:1ME135914--4.432966941507.3321514
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3...-ME135997--4.79296234495.2964951
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-ace...-ME136033--3.82927069561.3431841
P-DPD-ME135908--14.84762151212.0086015
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))PE 14:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME135824-C003503.883783597737.4997563
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...LPE P-16:0 or LPE O-16:1ME135990--4.597940838437.2907568
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...PE 18:0_18:2ME135836-C003503.891416389743.5470565
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...PE 18:0_20:4ME135572-C003503.868568277767.5461398
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))PE 20:2(11Z,14Z)/18:3(6Z,9Z,12Z)*ME135847-C003503.850685859765.5305776
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)-ME135854-C003503.85066339779.5824448
penem CGP31608-ME135749--15.61744596244.0517488
penem CGP31608_2-ME135778--7.741840411244.0519856
PentanoateValeric acidME135701-C008034.826240295102.0680816
perchlorate-ME135672--6.09033482299.95631334
PG(36:3)PG 36:3ME135798--3.541085128772.5255986
PG(40:8)PG 40:8ME136049--3.538750959818.5085756
PG(P-16:0/15:1(9Z))PG P-16:0/15:1(9Z)ME135948--4.082887282690.4835612
PhenolPhenolME135628-C001465.94288653394.04183207
Phenol sulfatePhenyl hydrogen sulfateME135957-C021805.176106923173.9986652
PhenolsulfonphthaleinPhenolsulfonphthaleinME135718-C126007.390574043354.0562732
PhenylacetaldehydePhenylacetaldehydeME135875-C006017.424749827120.0575123
PhenylacetylglycinePhenylacetylglycineME135536-C055984.824708422193.0739121
PhenylpyruvatePhenylpyruvic acidME135529-C001664.703501287164.0473605
phlorisobutyrophenone-ME135774-C073514.15448909196.0735798
phosphinomethylmalate-ME135919--13.3334148212.0085541
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME135888-C1348214.58606926169.0502684
PhosphoenolpyruvatePhosphoenolpyruvic acidME135517-C0007417.37242829167.9824018
PhthalatePhthalic acidME135547-C0160613.61907826166.0266163
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME135734--4.151175651600.3274721
PI(36:2)PI 36:2ME135726--3.674680545862.5567233
PI(36:4)PI 36:4ME135968--3.676457831858.524139
PI(38:4)PI 38:4ME135935--3.662045012886.5577666
PI(38:5)PI 38:5ME135959--3.666715001884.5417481
PIPES-ME135966--14.19101984151.0303078
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol-ME136028--3.555066661560.4794419
[PR] 9-Hydroxy-helminthosporol-ME136001--3.897057118252.172726
[PR] Citronellyl acetate-ME135752-C122983.946337553198.1620005
ProgesteroneProgesteroneME135609-C004103.900373339314.2248804
[PR] Tretinoin/All-Trans Retinoic AcidRetinoic acidME135554-C007773.947329993300.2090037
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoser...-ME136027--4.22681886567.3174174
PS(13:0/12:0)PS 13:0/12:0*ME136014--4.176897616637.3963812
PS(15:0/22:4(7Z,10Z,13Z,16Z))PS 15:0/22:4(7Z,10Z,13Z,16Z)*ME135927--3.594237981797.5207139
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoser...LPS 18:0ME135766--4.093026788525.3068092
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...PS 18:0_22:6ME135576-C027373.641858742835.5363073
PS(19:1(9Z)/22:2(13Z,16Z))PS 19:1(9Z)/22:2(13Z,16Z)*ME135681--3.933960944855.6006003
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...LPS 20:4ME135686--4.09324754545.2753686
PS(40:8)PS 40:8ME135913--3.649416342831.5053682
PseudouridinePseudouridineME135562-C0206714.06601379244.0699111
Pseudouridine_2PseudouridineME135895-C0206717.2203333244.0696459
PS(P-18:0/17:2(9Z,12Z))PS P-18:0/17:2(9Z,12Z)*ME135911--3.552363111757.5260615
PyruvatePyruvic acidME135521-C000227.9838613988.01601649
QuassinQuassinME135750-C087784.535705971194.0943348
QuinateQuinic acidME135615-C0029612.68717832192.0635491
(R)-2,3-Dihydroxy-3-methylbutanoate(R)-2,3-Dihydroxy-isovalerateME135579-C042728.689525193134.0579477
(R)-3-Hydroxybutanoate3R-Hydroxybutyric acidME135589-C010897.858494928104.0473575
(R)-AMAA-ME135793-C137398.659579425172.0484104
(R,R)-Tartaric acidTartaric acidME135533-C0089816.94552132150.0165416
(R)-S-LactoylglutathioneS-LactoylglutathioneME135611-C0345115.79451421379.1051006
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME135561-C0391214.89706852113.0477186
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME135575-C0600613.46846267146.05792
(S)-3-Methyl-2-oxopentanoic acid(S)-3-Methyl-2-oxopentanoic acidME135600-C006714.74791225130.0630586
Salicylaldehyde2-HydroxybenzaldehydeME135899-C062023.96020212122.03679
(S)(+)-AllantoinAllantoinME135878-C0235013.75959121158.0439717
SedoheptuloseGlucoheptuloseME135932-C0207613.70354298210.0739773
S-(Formylmethyl)glutathioneS-(Formylmethyl)glutathioneME135901-C1487111.96837623349.0944693
Sinapoyl aldehydeSinapoyl aldehydeME135814-C056104.541617577208.0736473
sinapoyltyramine-ME136050--4.108440184343.1421363
(S)-LactateLactic acidME135613-C001869.4072153690.03168923
(S)-MalateMalic acidME135544-C0014915.82442084134.0215701
(S)-Methylmalonate semialdehyde(S)-Methylmalonic acid semialdehydeME135829-C0600214.71465464102.0316809
sn-glycero-3-Phospho-1-inositolsn-Glycero-3-phosphoinositolME135977-C0122515.83116802334.0666339
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME135540-C0009314.68884753172.0136546
sodium dodecyl sulfate-ME135693--3.655797892266.1551239
Sorbitol 6-phosphatePseudouridineME135844-C0109614.85717542262.0452953
S-Sulfo-L-cysteineCysteine-S-sulfateME135601-C0582416.62635218200.9766602
[ST (4:0/4:0/4:0)] (5Z,7E)-(1S,3R,20R,22S)-24a-hom...-ME135735--3.970621526221.1539984
Stealthin CStealthin CME136018-C123924.82169889153.54199
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...Chenodeoxycholic acidME135833-C025284.589966695392.2926199
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one...5alpha-Androstane-3alpha-ol-17-one sulfateME135978-C045553.772632864370.1812191
SuccinateSuccinic acidME135635-C0004214.86984997118.0266573
SucroseSucroseME135514-C0008914.88135403342.1162981
SulcatoneSulcatoneME135679-C072874.126535437126.1044836
SulfoacetaldehydeSulfoacetaldehydeME135578-C0059311.10332448123.9830899
Sulfoacetaldehyde_2SulfoacetaldehydeME135831-C0059312.61779069123.9830833
SulfoacetateSulfoacetic acidME135828-C1417917.83277426139.977962
SulmazoleSulmazoleME135657-C137497.811060044287.0724178
TaurineTaurineME135534-C0024514.92027376125.014676
TauropineTauropineME135779-C0161613.31340255197.0358865
Tetracosanoic acidLignoceric acidME135629-C083203.675131554368.3655677
Tetradecanoic acidMyristic acidME135542-C064243.845682699228.208977
Tetranor-PGE1Tetranor-PGE1ME135958--4.559994964298.1777963
ThiopentalThiopentalME135963-C075218.033128216242.1087218
Thr-Ala-AlaThr-Ala-AlaME135988--17.93902737261.13265
trans-4-Hydroxycyclohexanecarboxylate4-Hydroxycyclohexylcarboxylic acidME135754-C044047.403004835144.078653
Traumatic acidTraumatic acidME135883-C163084.216224703228.136347
UDP-glucoseUDP-glucoseME135518-C0002916.09285482566.0552794
UDP-glucuronateUDP-glucuronic acidME135592-C0016718.86859564580.0345633
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME135541-C0004314.81721634607.0817403
UMPUMPME135585-C0010514.79920986324.035907
UrateUric acidME135551-C0036612.49947702168.028234
Urea-1-carboxylate-ME135819-C0101010.77153544104.0221927
uridine-5-diphosphate bromoacetol-ME135661--18.02171848268.9693709
UTPUTPME135801-C0007517.67241661483.9686843
Val-Asp-SerVal-Asp-SerME136051--12.97364067319.1376901
VanilpyruvicacidVanilpyruvic acidME135713--4.840498101210.0529914
VinylacetylglycineVinylacetylglycineME135690--14.38470588143.05821
Vinylacetylglycine_2VinylacetylglycineME135923--7.369363094143.0582368
XTPXanthosine 5-triphosphateME135596-C0070014.19770925261.9874408
XylobioseXylobioseME136021-C0163014.7377583282.0949554
ZoxazolamineZoxazolamineME135784-C138415.814205043168.0092808


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