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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
12-Hydroxydodecanoic acid12-Hydroxy lauric acidME286761--25.7217.1798
24-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME286743--24.1153.0546
2-Deoxyguanosine 5-monophosphatedGMPME286771--183.3348.0701
3-Sulfinoalanine3-Sulfino-alanineME286744--123.9154.0169
5-Aminolevulinic acid5-Amino-levulinic acidME286735--54.7132.0655
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME286762--73221.092
5-Hydroxylysine5-HydroxylysineME286747--141.8163.1084
AcetylcarnitineCAR 2:0ME286759--66.1204.1231
AcetylglycineN-AcetylglycineME286730--41.7118.0498
Aminoadipic acidAminoadipic acidME286745--85.2162.076
AnserineAnserineME286767--101.8241.1291
ArginineArginineME286751--116.2175.1189
BetaineBetaineME286733--77.2118.0862
CarnitineCarnitineME286746--76.7162.1125
CarnosineCarnosineME286765--104.9227.1134
CinnamaldehydeCinnamaldehydeME286736--23.2133.0648
CitrullineCitrullineME286753--100.4176.103
CystathionineCystathionineME286763--190.5223.0748
CystineCystineME286766--203.7241.0309
Gamma-Linolenic acidgamma-Linolenic acidME286768--39.1279.2317
GlucosamineGlucosamineME286754--98.3180.0866
Glutamic acidGlutamic acidME286742--91.7148.0604
GlutamineGlutamineME286740--101.9147.0764
Glycocholic acidGlycocholic acidME286772--51.2466.3154
Guanidoacetic acidGuanidoacetic acidME286731--82.8118.0618
IndoleIndoleME286732--64.4118.0651
Linoleic acidLinoleic acidME286769--35.9281.2474
LysineLysineME286741--116.9147.1128
Methyl jasmonateMethyl jasmonateME286764--34.3225.1485
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME286757--105.8189.1598
N-Acetylglutamic acidN-Acetylglutamic acidME286758--50.8190.0713
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME286752--49.4176.0562
N-AcetylleucineN-AcetylleucineME286750--26174.1125
N-Acetylneuraminic acidN-Acetylneuraminic acidME286770--91310.1125
N-AcetylputrescineN-AcetylputrescineME286734--42131.1179
N-Alpha-acetyllysineN(2)-AcetyllysineME286756--85189.1233
O-PhosphoethanolaminePhosphoethanolamineME286738--134.1142.0268
PhosphocreatinePhosphocreatineME286760--118212.0432
PyridoxalPyridoxalME286748--47.8168.0654
PyridoxaminePyridoxamineME286749--54.5169.0971
(R)-Salsolinol(R)-SalsolinolME286755--46.9180.1016
SerineSerineME286729--99.3106.0499
SpermidineSpermidineME286739--130.5146.1653
StachyoseStachyoseME286773--243.4667.2274
Urocanic acidUrocanic acidME286737--45.6139.0502


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Aminoisobutyric acidAminoisobutyric acidME286774--36.2102.056
3-(2-Hydroxyphenyl)propanoic acid3-(2-Hydroxyphenyl)propanoic acidME286790--37165.0558
3-Phosphoglyceric acid3-Phosphoglyceric acidME286795--27.9184.9856
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME286781--21.9144.0666
AcetylglycineN-AcetylglycineME286777--31.9116.0353
AdenosineAdenosineME286803--20266.0882
Adenosine 35-diphosphate-ME286810--32.5426.0211
Adenosine triphosphateATPME286813--27.9505.9884
Aminoadipic acidAminoadipic acidME286788--33160.0616
Arachidic acidArachidic acidME286808--297.3311.2959
CitrullineCitrullineME286792--35.1174.0884
Docosahexaenoic acidDocosahexaenoic acidME286809--224.3327.233
FucoseFucoseME286789--45.8163.0613
Galacturonic acidGalacturonic acidME286796--34.7193.0354
Gamma-Linolenic acidgamma-Linolenic acidME286805--219277.2172
Gluconic acidGluconic acidME286797--35.9195.051
Glucose 6-phosphateGlucose 6-phosphateME286802--45.4259.0232
GlutamineGlutamineME286783--34.8145.0619
Glyceric acidGlyceric acidME286776--35.3105.0193
Glycocholic acidGlycocholic acidME286812--43.8464.3018
GulonolactoneL-GulonolactoneME286793--35.6177.0405
Heptadecanoic acidMargaric acidME286804--269.8269.2485
Hippuric acidHippuric acidME286794--36.2178.051
HistidineHistidineME286787--37.4154.0623
Homogentisic acidHomogentisic acidME286791--34.6167.0347
HydroxykynurenineHydroxykynurenineME286798--36.5223.071
HypoxanthineHypoxanthineME286780--37.1135.0301
IDPIDPME286811--34.3427.0071
Linoleic acidLinoleic acidME286806--236.9279.2327
LysineLysineME286784--24145.0982
Mevalonic acidMevalonic acidME286785--19.5147.0663
Myristic acidMyristic acidME286799--221.8227.2016
NorvalineNorvalineME286778--40.8116.0717
Oxoglutaric acid2-Oxoglutaric acidME286782--34.9145.0143
Palmitic acidPalmitic acidME286801--251.9255.2328
Palmitoleic acidPalmitoleic acidME286800--232.8253.2172
Pyrrolidonecarboxylic acidPyroglutamic acidME286779--35.6128.0353
RiboseRiboseME286786--37149.0456
SerineSerineME286775--37104.0353
Stearic acidStearic acidME286807--288.7283.264
ThyroxineThyroxineME286814--81.6775.6814


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