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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 acidME54912774300-187.13290.829403
12-Hydroxy lauric acid12-Hydroxy lauric acidME54913679034C08317215.16410.5534158
2',3' cyclic CMP2',3' cyclic CMPME54915453481030C00127304.03268.377446
3-Hydroxybenzoic acid3-Hydroxybenzoic acidME5490907420C00587137.02371.174334
3-Hydroxybutyric acid3-Hydroxybutyric acidME549057441C01089103.03960.9276431
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME54907747C00671129.0554.625259
4,5-Dihydroorotic acid4,5-Dihydroorotic acidME549106648C00337157.02465.793012
4-Guanidinobutanoic acid4-Guanidinobutanoic acidME549095500C01035144.07716.480899
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME549072126C00633121.0290.6648656
4-Hydroxybenzoic acid4-Hydroxybenzoic acidME549091135C00156137.02360.9680595
5-Hydroxylysine5-HydroxylysineME5491094433C16741161.09258.661879
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME54909372924C01020138.01893.914305
AdenineAdenineME549087190C00147134.04664.775776
AdenosineAdenosineME54915060961C00212266.08774.390659
AlanineAlanineME5490555950C0004188.040038.124331
AllantoinAllantoinME549107204C01551157.0364.551909
Aminoisobutyric acidAminoisobutyric acidME549056--102.05564.979054
AMPAMPME5491636083C00020346.05418.555578
ArginineArginineME5491196322C00062173.10358.587925
AsparagineAsparagineME5490836267C00152131.04568.203151
Aspartic acidAspartic acidME5490865960C00049132.02958.526729
Azelaic acidAzelaic acidME5491262266C08261187.09660.7006329
BiotinBiotinME549145171548C00120243.07963.588071
cAMP3',5' cyclic AMPME5491616076C00575328.04387.578808
CarnosineCarnosineME549138439224C00386225.09828.634984
cGMP3',5' cyclic GMPME54916224316C00942344.03848.318968
Chenodeoxycholic acidChenodeoxycholic acidME54916810133C02528391.28340.740962
CinnamaldehydeCinnamaldehydeME549084637511C00903131.04960.5597736
CitrullineCitrullineME5491219750C00327174.08778.382207
CMPCMPME5491586131C00055322.0438.642341
CreatineCreatineME549081586C00300130.06158.136562
CreatinineCreatinineME549062588C00791112.05115.396331
Cysteic acidCysteic acidME54911325701C00506167.99638.284657
CysteineCysteineME5490715862C00097120.01188.666633
CytidineCytidineME5491436253C00475242.07716.199176
dCMPdCMPME54915513945C00239306.04828.602143
DeoxycytidineDeoxycytidineME54913913711C00881226.08225.763927
DeoxyuridineDeoxyuridineME54914013712C00526227.06641.722291
Dihydroxyacetone phosphateDihydroxyacetone phosphateME549114668C00111168.98998.421022
DL-O-PhosphoserineDL-O-PhosphoserineME549125106C01005184.00079.040874
Docosahexaenoic acidDocosahexaenoic acidME549160445580C06429327.23130.5205333
Fumaric acidFumaric acidME549065444972C00122115.0034.158378
Galactose 1-phosphateGalactose 1-phosphateME549148123912C00446259.02148.691466
Glucosamine 6-phosphateGlucosamine 6-phosphateME549147439217C00352258.03718.751749
Glucosaminic acidGlucosaminic acidME54913173563-194.06628.394695
Glucose 6-phosphateGlucose 6-phosphateME5491495958C00092259.02128.7787
Glutamic acidGlutamic acidME54909933032C00025146.04518.321828
GlutamineGlutamineME5490965961C00064145.06128.223426
GlutathioneGlutathioneME549156745C00051306.07478.475607
Glycocholic acidGlycocholic acidME54916723617285C01921464.29945.289814
GMPGMPME5491656804C00144362.0498.809633
Guanidoacetic acidGuanidoacetic acidME549067763C00581116.04598.140259
GuanineGuanineME549102764C00242150.04135.882307
GuanosineGuanosineME5491526802C00387282.08286.211797
Hippuric acidHippuric acidME549123464C01586178.052.070188
HistidineHistidineME5491046274C00135154.06158.574671
HypotaurineHypotaurineME549059107812C00519108.0128.130309
HypoxanthineHypoxanthineME549088790C00262135.03054.444798
IMPIMPME549164135398640C06665347.03828.607362
IndolepyruvateIndolepyruvateME549132803C00331202.04990.5768119
Indoxyl sulfateIndoxyl sulfateME54913510258-212.00124.809145
InosineInosineME5491516021C00294267.07225.003959
KetoleucineKetoleucineME54907870C00233129.0554.333389
LeucineLeucineME5490826106C00123130.08686.888867
LysineLysineME5490975962C00047145.09768.623782
MaleamateMaleamateME549063-C01596114.01920.9122756
MethionineMethionineME5491016137C00073148.0437.124519
N-AcetylalanineN-AcetylalanineME54907988064-130.05032.676011
N-AcetylasparagineN-AcetylasparagineME54911899715-173.05585.697958
N-Acetylaspartic acidN-Acetylaspartic acidME54912065065C01042174.045.569403
N-AcetylcysteineN-AcetylcysteineME54910812035C06809162.02243.765087
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME549146700653-245.09193.709562
N-Acetylglutamic acidN-Acetylglutamic acidME54912870914C00624188.05554.97629
N-AcetylglycineN-AcetylglycineME54906610972-116.03483.762095
N-AcetylleucineN-AcetylleucineME54911670912C02710172.09691.640107
N-AcetylmethionineN-AcetylmethionineME5491296180C02712190.05352.689538
N-AcetylphenylalanineN-AcetylphenylalanineME54913474839C03519206.08132.557278
N-AcetylserineN-AcetylserineME54909865249-146.04514.982276
NAD+NADME5491725893C00003662.09898.840785
Nicotinic acidNicotinic acidME549073938C00253122.02422.976078
N-Methyl-D-aspartic acidN-Methyl-D-aspartic acidME54910022880C12269146.04518.550462
OrnithineOrnithineME5490856262C00077131.0828.608195
Orotic acidOrotic acidME549105967C00295155.0096.872255
Pantothenic acidPantothenic acidME5491376613C00864218.10223.374146
PhenylalaninePhenylalanineME5491116140C00079164.07096.751904
PhosphoethanolaminePhosphoethanolamineME5490941015C00346140.0118.565596
ProlineProlineME549064145742C00148114.05557.675618
PterinPterinME54911073000C00715162.04134.873962
Pyroglutamic acidPyroglutamic acidME5490767405C01879128.03484.741712
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME54906012473C05942110.02430.8902597
RiboflavinRiboflavinME549166493570C00255375.13014.732927
RiboseRiboseME5491415779C00121229.01068.541251
SalicylamideSalicylamideME5490895147-136.03980.7044749
S-Carboxymethyl-cysteineS-Carboxymethyl-cysteineME549122193653-178.01718.514842
SerineSerineME5490585951C00716104.03488.188137
Shikimic acidShikimic acidME5491178742C00493173.04473.659943
sn-Glycero-3-phosphatesn-Glycero-3-phosphateME549115--171.00578.582457
Succinic acidSuccinic acidME5490691110C00042117.01861.833839
TaurineTaurineME5490741123C00245124.00686.989288
Taurolithocholic acidTaurolithocholic acidME54916953477716C02592482.29235.556921
ThreonineThreonineME5490706288C00188118.05058.034595
ThymidineThymidineME5491425789C00214241.08191.445742
ThymineThymineME5490751135C00178125.03510.8345622
TMPTMPME54915714296-321.04768.241308
trans-4-Hydroxyprolinetrans-4-HydroxyprolineME5490805810C01157130.05048.023791
trans-Ferulic acidtrans-Ferulic acidME549130445858C01494193.04970.8604192
TryptophanTryptophanME5491336305C00078203.08187.037939
TyrosineTyrosineME5491246057C00082180.06577.418587
UDP-GalactoseUDP-galactoseME54917018068C00052565.04519.224081
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME549171445675C00043606.07159.215756
UMPUMPME5491596030C00105323.02728.368468
UracilUracilME5490611174C00106111.01951.099329
Uric acidUric acidME5491121175C00366167.02035.614981
UridineUridineME5491446029C00299243.06073.302707
Urocanic acidUrocanic acidME549092736715C00785137.0354.359213
ValineValineME5490686287C00183116.07127.420228
XanthineXanthineME5491031188C00385151.02543.721547
XanthosineXanthosineME54915364959C01762283.06685.057885


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