Return to study ST002510 main page

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
1,2-Dimethylimidazole-ME604930---97.07594
13Z-Docosenamide13Z-DocosenamideME604987---338.34045
1H-Indole-4-carboxaldehyde-ME604934---146.05954
1-Methyl nicotinamide1-Methyl nicotinamideME604932---137.07034
1-Methylpyrrole-ME604933---82.06495
(2/3)-amino(iso)butyric acid-ME604928---104.0704
2-dGMP-ME604940---348.07391
2'-O-Methylguanosine2'-O-MethylguanosineME604938---298.11343
3-Aminopyridine-ME604941---95.06017
3-Indoleacetic acid1Indoleacetic acidME604944---176.07021
3-Methylthiopropylamine3-MethylthiopropylamineME604945---106.06833_89.04178
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME604929---159.04051
4-Amino-1-butanol-ME604946---90.09119
4-Aminopyridine4-AminopyridineME604947---95.0602
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME604948---146.09209
4-Hydroxy-6-methyl-2-pyrone-ME604949---127.03874
5-Aminopentanoic acid5-Aminopentanoic acidME604955---118.08601
5-Hydroxy-2-methylpyridine-ME604956---110.05991
5-Hydroxymethylcytosine-ME604957---142.06435
5-Hydroxy-tryptophan5-Hydroxy-tryptophanME604958---221.09142
5-Methylcytidine5-MethylcytidineME604959---258.10794
5'-S-Methyl-5'-thioadenosine5'-MethylthioadenosineME604953---298.09583
7-Methylguanosine7-MethylguanosineME604960---298.11349
AcadesineAICARME604954---259.10263
AdenineAdenineME604962---136.06151
AdenosineAdenosineME604963---268.10321_136.06133
AgmatineAgmatineME604964---131.12883
AlanineAlanineME604965---90.05482
AMPAMPME604961---348.06934
ArginineArginineME604972---175.11848_130.09732_349.22974_523.34155_158.09229
Arginine, methyl ester-ME604973---189.13419
Arg-LeuArg-LeuME604966---288.2023
Arg-MetArg-MetME604967---306.15875
Arg-PheArg-PheME604968---322.18661
Arg-Phe1Arg-PheME604969---322.18692
Arg-ThrArg-ThrME604970---276.16595
Arg-TrpArg-TrpME604971---361.1973
BetaineBetaineME604974---118.08599
BiotinBiotinME604975---245.09468
CadaverineCadaverineME604976---103.12296
CholineCholineME604977---104.10684
cis-3-Hydroxyprolinecis-3-HydroxyprolineME604942---132.06479
CitrullineCitrullineME604978---351.19748_176.10237_159.07599
CreatinineCreatinineME604979---114.06609
Creatinol-ME604980---118.09722
CyclohexylamineCyclohexylamineME604982---100.11192
Cyclo(Leu-Pro)Cyclo(-Leu-Pro)ME604981---211.14349
CystineCystineME604983---241.03021
CytidineCytidineME604984---244.09181
CytosineCytosineME604985---112.05039
DeoxyadenosineDeoxyadenosineME604935---252.10815
DeoxyguanosineDeoxyguanosineME604936---290.08499_268.10345
DeoxyinosineDeoxyinosineME604937---137.04549_253.09229_275.07419
DimethylarginineDimethylarginineME605024---203.14984
Dimethyl sulfoxideDimethyl sulfoxideME604986---79.02097
Edetic acidEdetic acidME604988---293.09689
Epsilon-caprolactamEpsilon-caprolactamME605084---227.17462_114.09101
epsilon-Caprolactam1Epsilon-caprolactamME605085---114.09096_227.17453
Glutamic acidGlutamic acidME604989---148.05995_130.04962
GlutamineGlutamineME604990---147.07597_130.04955
Glutamine1GlutamineME604991---147.07603_130.04961
GlycineGlycineME604993---76.03911
GuanineGuanineME604994---152.05637
GuanosineGuanosineME604995---284.09821
Hexaethylene glycolHexaethylene glycolME604996---283.17404
Hexaethylene glycol1Hexaethylene glycolME604997---283.17407
His-LeuHis-LeuME604998---269.15979
His-ProHis-ProME604999---235.11848
HistamineHistamineME605000---112.08678
HistidineHistidineME605001---110.07108_156.07628
HomoarginineHomoarginineME605002---189.13405
HomocitrullineHomocitrullineME605086---190.11821_173.09163
HydroxyprolineHydroxyprolineME605003---132.06523
HypoxanthineHypoxanthineME605004---137.0455
Ile-ArgIle-ArgME605005---288.20221
Ile-IleIle-IleME605006---245.18512
Ile-TrpIle-TrpME605007---318.17966
Imidazoleacetic acidImidazoleacetic acidME604950---127.04984
IMPIMPME605010---349.05295
Indoleacetic acidIndoleacetic acidME604943---176.07001
IndolineIndolineME605008---120.0806
InosineInosineME605009---137.04541_291.06915_269.08713_537.1684
Insource frag that looks like tryptophan-ME605011---188.06993_205.09647
IsoleucineIsoleucineME605012---86.09624_132.10156
Isonicotinamide-ME605013---123.05511
Leu-ArgLeu-ArgME605014---288.20227
LeucineLeucineME605016---86.09624_132.10153
Leu-Leu-ArgLeu-Leu-ArgME605015---401.28616
LysineLysineME605017---147.11232_130.08597
MaltitolMaltitolME605018---367.12024
MelamineMelamineME605019---127.07233
MethionineMethionineME605020---150.05797_133.03156
Methionine sulfoxideMethionine sulfoxideME605021---166.05283
Methioninesulfoxide1Methionine sulfoxideME605022---188.03447_166.05273
MethylguanidineMethylguanidineME604931---74.0713
N(2)-AcetyllysineN(2)-AcetyllysineME605041---189.12285
N5-(1-Iminoethyl)-ornithine-ME605040---174.12315
N6-AcetyllysineN6-AcetyllysineME605038---189.12296_211.10489
N(6)-MethyllysineN(6)-MethyllysineME605033---161.12794
N-6-TrimethyllysineN-6-TrimethyllysineME605042---189.15921
N-Acetyl-D-galactosamineN-Acetyl-D-galactosamineME605025---204.08589_186.07541_244.0782
N-Acetyl-D-galactosaminitolN-Acetyl-D-galactosaminitolME605026---224.11214
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME605027---138.05453_186.07556_204.08603
N-Acetylglutamic acidN-Acetylglutamic acidME605029---190.07043
N-AcetylglutamineN-AcetylglutamineME605039---154.09766
N-AcetylhistidineN-AcetylhistidineME605030---198.0869_156.07629
N-AcetylleucineN-AcetylleucineME605028---174.11206
N-AcetylornithineN-AcetylornithineME605037---175.10741_157.09692
N-AcetylphenylalanineN-AcetylphenylalanineME605031---208.09621
N-Acetyl-tryptophanN-Acetyl-tryptophanME605032---247.10683_205.09659_188.06996
NiacinamideNiacinamideME605043---123.05494
Nicotinamide ribosideNicotinamide ribosideME605044---255.09691_123.05505
Nicotinic acidNicotinic acidME605045---124.0391
N-Methyl-prolineN-Methyl-prolineME605034---130.08636
N-Methylproline1N-Methyl-prolineME605035---130.08641
N,N-Diethyl-2-aminoethanol-ME605023---118.12222
OctopamineOctopamineME605046---136.0755
OleamideOleamideME605047---282.27814
OrnithineOrnithineME605048---133.09665_116.07023
o-Tyrosineo-TyrosineME605087---182.08083
P-Aminobenzoic acidp-Aminobenzoic acidME604952---138.05457
Pantothenic acidPantothenic acidME605049---220.11755
PelargonidinPelargonidinME605036---217.12904
Phe-ArgPhe-ArgME605050---322.18658
Phe-LeuPhe-LeuME605051---279.16913
PhencyclidinePhencyclidineME605053---244.18994
Phencyclidine1PhencyclidineME605054---244.19
PhenylacetaldehydePhenylacetaldehydeME605055---121.06455
PhenylalaninePhenylalanineME605056---120.08044_331.16437_166.08569
PhenylethylaminePhenylethylamineME604939---105.06975_122.09619
Phe-TrpPhe-TrpME605052---352.16461
Pro-ArgPro-ArgME605057---272.17078_136.58934
ProlineProlineME605058---116.07036
QuinolineQuinolineME605059---130.0649
RiboflavinRiboflavinME605060---377.14471
S-AdenosylmethionineS-AdenosylmethionineME605061---399.14267
SerineSerineME605063---106.04964
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME604992---258.10934
S-succinylcysteineSHexCer 39:0;O3ME605062---238.03738
SucroseSucroseME605064---365.10443
TarginineTarginineME605065---189.13417
ThiamineThiamineME605066---265.1113
ThreonineThreonineME605067---102.0547_120.0651
ThymidineThymidineME605068---127.04992_485.18689_265.07874_243.09702
TrehaloseTrehaloseME605069---360.14926
TributylamineTributylamineME605070---186.22127
Triethylcitrate-ME605071---277.12769
Tris(2-butoxyethyl) phosphate-ME605072---399.24942
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME605073---122.08083
Trp-PheTrp-PheME605074---352.16428
Trp-TrpTrp-TrpME605075---391.17615
TryptamineTryptamineME605076---161.1069_144.08043
TryptophanTryptophanME605077---205.0966_188.07011
Tyramine and/or PhenylethanolamineCoenzyme Q10ME605078---138.09109
TyrosineTyrosineME605079---182.0808
UMPUMPME605080---325.04202
UreaUreaME605081---61.03968
Urocanic acidUrocanic acidME604951---139.04999
Val-ArgVal-ArgME605082---274.18677
ValineValineME605083---118.08567_72.08064


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 acidME605091---187.13313
10-Hydroxydecanoic acid110-Hydroxydecanoic acidME605092---187.13336
1,3-Cyclohexanedicarboxylic acid-ME605089---153.05473
1-Deoxy-D-xylulose 5-phosphate1-Deoxy-D-xylulose 5-phosphateME605090---213.0162
2,5-Furandicarboxylic acid2,5-Furandicarboxylic acidME605093---154.99747
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME605154---147.02873
2-Hydroxyisocaproic acid2-Hydroxyisocaproic acidME605095---131.0701
2-Hydroxy palmitic acid2-Hydroxypalmitic acidME605096---271.22772
2-Hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME605097---151.03899
2-Hydroxyphenylacetic acid12-Hydroxyphenylacetic acidME605098---151.039
2-Hydroxyquinoline2-HydroxyquinolineME605099---144.04425
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME605100---117.0545
2-Isopropylmalic acid2-Isopropylmalic acidME605101---157.04971
3-Amino-3-(4-hydroxyphenyl)propionic acid-ME605102---180.06592
3-Hydroxybutyric acid3-Hydroxybutyric acidME605103---103.03893
3-Hydroxydodecanoic acid3-Hydroxydodecanoic acidME605104---215.16487
3-Hydroxyhippuric acid3-Hydroxyhippuric acidME605105---194.04536
4-Hydroxy-6-methyl-2-pyrone-ME605110---125.02325
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME605111---137.02325
4-Hydroxyvalproic acid-ME605112---159.10181
4-Oxohexanoic acid-ME605113---129.0544
5-Hydroxyindole5-HydroxyindoleME605114---132.04431
6alpha-Mannobiose-ME605117---455.1015
6-Hydroxycaproic acid6-Hydroxycaproic acidME605116---131.0703
8-Hydroxyquinoline-2-carbaldehyde-ME605118---172.03937
AdenineAdenineME605119---134.0461
Adenosine 5'/3'-monophosphate-ME605120---346.05591
Ala-AlaAla-AlaME605121---159.07634
Ala-GlnAla-GlnME605122---216.0985
AlanineAlanineME605123---88.03915
ArabitolArabitolME605124---101.02311
ArginineArginineME605125---173.10332_131.08139_347.21561
Azelaic acidAzelaic acidME605127---187.09686
beta-Hydroxymyristic acid3-Hydroxytetradecanoic acidME605220---243.19608
BiotinBiotinME605128---243.08047
cis-4-Hydroxyprolinecis-4-HydroxyprolineME605109---130.04994
Citraconic acidCitraconic acidME605130---85.02822_129.01802
CitrullineCitrullineME605131---349.18353_131.08147_174.08733
CMPCMPME605135---322.04425
Cysteic acidCysteic acidME605132---167.99628
Cysteine-S-sulfateCysteine-S-sulfateME605133---199.9686
CystineCystineME605134---239.01599
Decylbenzenesulfonic acid-ME605136---297.15262
DeoxyuridineDeoxyuridineME605094---227.06715
DimethylarginineDimethylarginineME605165---201.13486
Dodecylbenzenesulfonic acidDodecylbenzenesulfonic acidME605138---325.18417
GlucoseGlucoseME605139---179.05515
Glutamic acidGlutamic acidME605140---146.04471
GlutamineGlutamineME605141---127.05009_145.06073
GuanineGuanineME605142---150.04109
GuanosineGuanosineME605143---282.0842
HistidineHistidineME605144---110.07096_154.06104
Histidine1HistidineME605145---154.06117_110.07122
HomoarginineHomoarginineME605146---187.11928
HomocitrullineHomocitrullineME605147---188.10326_377.21463
Hydroxypropionic acidHydroxypropionic acidME605106---89.02317
HypoxanthineHypoxanthineME605148---135.03006
Ile-ArgIle-ArgME605149---286.18863
Ile-PheIle-PheME605150---277.15521
Indole-3-lactic acidIndole-3-lactic acidME605151---204.06596
Indoleacetic acidIndoleacetic acidME605107---174.05498_130.06497
InosineInosineME605152---267.07339
IsoleucineIsoleucineME605153---130.08609
L-Dehydroascorbic acidL-Dehydroascorbic acidME605137---142.9973_173.00818
Leu-ArgLeu-ArgME605155---286.18835
LeucineLeucineME605157---130.08612
Leu-LeuLeu-LeuME605156---243.17094
Lipoic acidLipoic acidME605158---205.03563
LysineLysineME605159---145.09715
Malonic acidMalonic acidME605160---103.00249
MaltitolMaltitolME605161---343.12378_379.10071
MannoseMannoseME605162---179.05499
MethionineMethionineME605163---148.04276
Methionine sulfoxideMethionine sulfoxideME605164---164.03769
N5-(1-Iminoethyl)-ornithine-ME605188---172.10823
N6-AcetyllysineN6-AcetyllysineME605187---187.10794
N-AcetylcarnosineN-AcetylcarnosineME605168---154.06111
N-AcetylcysteineN-AcetylcysteineME605175---162.02216
N-Acetyl-D-glucosamineN-Acetyl-D-glucosamineME605171---266.08783
N-Acetyl-galactosaminitolN-Acetyl-D-galactosaminitolME605169---222.09775
N-Acetyl-galactosaminitol1N-AcetylkynurenineME605170---268.10364_258.07474_222.09773
N-Acetylglutamic acidN-Acetylglutamic acidME605176---188.05573
N-AcetylglycineN-AcetylglycineME605177---116.03422
N-AcetylhistidineN-AcetylhistidineME605178---196.07208
N-AcetylleucineN-AcetylleucineME605179---172.09712
N-Acetyl-mannosamineN-Acetyl-mannosamineME605180---220.08203_266.08804
N-AcetylmethionineN-AcetylmethionineME605167---190.05367
N-AcetylornithineN-AcetylornithineME605186---173.09233
N-AcetylphenylalanineN-AcetylphenylalanineME605172---413.17148_206.08165
N-AcetylserineN-AcetylserineME605181---146.04485
N-Acetyl-tryptophanN-Acetyl-tryptophanME605182---245.09294
N-AcetyltyrosineN-AcetyltyrosineME605173---222.07652
N-AcetylvalineN-AcetylvalineME605174---158.08125
N-FormylmethionineN-FormylmethionineME605183---176.03784
NG-Monomethylarginine-ME605189---187.11937
N-MethylalanineN-MethylalanineME605184---102.05476
N-PhenylacetylphenylalanineN-PhenylacetylphenylalanineME605166---282.11343
OrnithineOrnithineME605190---131.08128
Orotic acidOrotic acidME605191---111.01882_155.0088
o-Tyrosineo-TyrosineME605221---180.06592_136.07578
Pantothenic acidPantothenic acidME605192---218.10303
PelargonidinPelargonidinME605185---215.11443
Phe-LeuPhe-LeuME605193---277.15527
PhenylalaninePhenylalanineME605194---164.07053_147.0439
Phenyllactic acidPhenyllactic acidME605108---165.0552
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME605195---166.97408
Phosphoric acidPhosphoric acidME605196---96.95885
Phthalic acidPhthalic acidME605197---165.0184
Pimelic acidPimelic acidME605198---159.06537
Pro-ArgPro-ArgME605199---270.15698
Procysteine-ME605200---145.9906
ProlineProlineME605201---114.05474
rac-Glycerol 3-phosphoate-ME605222---171.00563
RiboseRiboseME605202---149.04446
Ribose 1-phosphateRibose 1-phosphateME605203---229.01129
RibothymidineRibothymidineME605115---257.07788
S-Carboxymethyl-cysteineS-Carboxymethyl-cysteineME605129---178.01706
Sebacic acidSebacic acidME605204---201.11246
SerineSerineME605205---104.03393
SorboseSorboseME605206---179.05544
Suberic acidSuberic acidME605207---173.0811
Succinic acidSuccinic acidME605208---73.02821_117.01804
Threonic acidThreonic acidME605209---135.02866
ThreonineThreonineME605210---118.04961
ThymidineThymidineME605211---241.08276
TrehaloseTrehaloseME605212---387.11401
Tridecanedioic acidTridecanedioic acidME605088---243.16
TryptophanTryptophanME605213---407.17169_203.08171
UMPUMPME605216---323.02808
UracilUracilME605214---111.01868
UridineUridineME605215---243.06197
Val-ArgVal-ArgME605217---272.17294
ValineValineME605219---116.07034
Val-LysVal-LysME605218---244.16618
Vitamin CVitamin CME605126---175.02403


  logo