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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 acidME294460--25.7217.1797
1-Methylhistidine1-MethylhistidineME294451--100.5170.0924
AcetylcarnitineCAR 2:0ME294459--61.8204.123
CadaverineCadaverineME294439--90.4103.123
CarnitineCarnitineME294450--73.6162.1125
CarnosineCarnosineME294462--100.6227.1135
CinnamaldehydeCinnamaldehydeME294442--23.4133.0648
CitrullineCitrullineME294452--92.2176.103
CystineCystineME294463--216.1241.0305
Diaminopimelic acidDiaminopimelic acidME294457--209.3191.1027
Gamma-Linolenic acidgamma-Linolenic acidME294464--33.3279.2313
Gluconic acidGluconic acidME294458--75.5197.0654
GlucosamineGlucosamineME294454--94180.087
Glutamic acidGlutamic acidME294447--92.3148.0604
GlutamineGlutamineME294445--95.4147.0764
HistidineHistidineME294448--110.3156.0767
HydroxykynurenineHydroxykynurenineME294461--63.8225.0867
Imidazoleacetic acidImidazoleacetic acidME294441--76127.0502
IndoleacetaldehydeIndoleacetaldehydeME294449--44.6160.0757
LysineLysineME294446--112.2147.1128
N6N6N6-Trimethyl-L-lysineN-6-TrimethyllysineME294456--108.6189.1598
N-Alpha-acetyllysineN(2)-AcetyllysineME294455--83.7189.1233
OrnithineOrnithineME294443--114.4133.0973
PhenylethylaminePhenylethylamineME294440--44.1122.0964
S-Carboxymethyl-L-cysteineS-Carboxymethyl-cysteineME294453--90180.0328
StachyoseStachyoseME294465--263.7667.227
TrigonellineTrigonellineME294444--74.2138.055


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
24-Dihydroxyacetophenone2',4'-DihydroxyacetophenoneME294476--44151.0401
2-Aminoisobutyric acidAminoisobutyric acidME294467--39.5102.056
3-Hydroxymethylglutaric acid3-Hydroxymethylglutaric acidME294479--37.1161.0456
3-Phosphoglyceric acid3-Phosphoglyceric acidME294490--33.2184.9857
AcetylcysteineN-AcetylcysteineME294480--36162.0231
All-trans-retinoic acidRetinoic acidME294507--212.5299.2013
Aminoadipic acidAminoadipic acidME294478--35.7160.0616
Arachidic acidArachidic acidME294509--299311.2954
Azelaic acidAzelaic acidME294491--39.9187.0976
Caffeic acidCaffeic acidME294489--36.4179.035
cis-4-Hydroxy-D-prolinecis-4-Hydroxy-D-prolineME294470--36.6130.051
Cyclic AMP3',5' cyclic AMPME294511--35.6328.0443
CystineCystineME294499--40.5239.0158
Docosahexaenoic acidDocosahexaenoic acidME294510--230.1327.2326
FucoseFucoseME294481--38.9163.0612
Galacturonic acidGalacturonic acidME294493--35.5193.0354
Gamma-Linolenic acidgamma-Linolenic acidME294504--225.9277.2171
Gluconic acidGluconic acidME294495--35.5195.0511
Glucose 6-phosphateGlucose 6-phosphateME294502--36.9259.0221
GlutamineGlutamineME294473--35.6145.0619
Glycocholic acidGlycocholic acidME294513--42.8464.3009
Guanidinosuccinic acidGuanidinosuccinic acidME294486--33.1174.052
GulonolactoneL-GulonolactoneME294488--35.6177.0405
Heptadecanoic acidMargaric acidME294503--271.8269.2485
Heptanoic acidHeptylic acidME294469--47.8129.0922
HydroxykynurenineHydroxykynurenineME294498--37.8223.0724
Linoleic acidLinoleic acidME294505--245.8279.2328
LysineLysineME294474--59.6145.0983
Maleic acidMaleic acidME294468--36.4115.0037
N-AcetylasparagineN-AcetylasparagineME294483--34.5173.0568
N-Acetylglutamic acidN-Acetylglutamic acidME294492--35.3188.0565
N-Acetyl-L-aspartic acidN-Acetylaspartic acidME294485--34.3174.0408
N-Acetylneuraminic acidN-Acetylneuraminic acidME294508--33.6308.0982
N-Formyl-L-methionineN-FormylmethionineME294487--34176.0387
O-AcetylserineO-AcetylserineME294475--35.1146.046
O-PhosphoethanolaminePhosphoethanolamineME294471--48.2140.0116
Oxalic acidOxalic acidME294466--35.988.988
Oxoadipic acidOxoadipic acidME294477--35.6159.0299
Oxoglutaric acid2-Oxoglutaric acidME294472--34.7145.0143
Palmitic acidPalmitic acidME294501--253.4255.2329
Pantothenic acidPantothenic acidME294497--36.2218.1034
RiboflavinRiboflavinME294512--35.3375.1294
Shikimic acidShikimic acidME294482--30.1173.0455
Stearic acidStearic acidME294506--285.7283.2641
Suberic acidSuberic acidME294484--39.2173.082
trans-Ferulic acidtrans-Ferulic acidME294494--31.3193.0505
UridineUridineME294500--37.3243.0621
Vanillylmandelic acidVanillylmandelic acidME294496--37.4197.0455


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