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Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1-Methyladenosine1-MethyladenosineME08248627476C02494386282.1208
5'-Methylthioadenosine5'-MethylthioadenosineME082510439176C00170157298.0971
AcetylcarnitineCAR(2:0)ME0825181C02571602204.1232
AdenosineAdenosineME08251260961C00212214268.1044
CholineCholineME082521305C00114532104.1081
DeoxycytidineDeoxycytidineME08251313711C00881250228.0977
gamma-Aminobutryic acidgamma-Aminobutyric acidME082482119C00334579104.0707
GuanosineGuanosineME0825176802C00387230284.0991
L-CarnitineCarnitineME082519288-632162.1118
lysoPE 14:0; [M+H]+LPE 14:0ME082488444183-461426.2603
lysoPE 15:0; [M+H]+LPE 15:0ME082487--458440.2781
lysoPE 16:0; [M+H]+LPE 16:0ME082509--455454.2918
lysoPE 16:1; [M+H]+LPE 16:1ME082493--457452.2769
lysoPE 17:1; [M+H]+LPE 17:1ME082511--455466.2927
lysoPE 18:1; [M+H]+LPE 18:1ME082515--454480.3091
NiacinamideNiacinamideME082507936C00153145123.0556
Niacin (Nicotinic acid)Nicotinic acidME082492938C00253350124.0396
Pantothenic AcidPantothenic acidME082503988C00864313220.1179
PE 26:0; [M+H]+PE 26:0ME082484--299608.4292
PE 27:0; [M+H]+PE 27:0ME082489--294622.4445
PE 28:0; [M+H]+PE 28:0ME082490--289636.4600
PE 28:1; [M+H]+PE 28:1ME082485--289634.4433
PE 29:0; [M+H]+PE 29:0ME082491--286650.4750
PE 29:1; [M+H]+PE 29:1ME082483--284648.4594
PE 30:0; [M+H]+PE 30:0ME082516--283664.4911
PE 30:1; [M+H]+PE 30:1ME082497--280662.4772
PE 31:1; [M+H]+PE 31:1ME082494--279676.4922
PE 32:1; [M+H]+PE 32:1ME082499--273690.5084
PE 32:2; [M+H]+PE 32:2ME082496--275688.4904
PE 33:1; [M+H]+PE 33:1ME082495--273704.5238
PE 33:2; [M+H]+PE 33:2ME082506--271702.5069
PE 34:1; [M+H]+PE 34:1ME082501--269718.5384
PE 34:2; [M+H]+PE 34:2ME082500--267716.5237
PE 35:2; [M+H]+PE 35:2ME082505--267730.5387
PE 36:2; [M+H]+PE 36:2ME082502--263744.5537
PE 37:2; [M+H]+PE 37:2ME082508--263758.5686
PhenylalaninePhenylalanineME0824986140C00079479166.0849
ProlineProlineME082504145742C00148527116.0712
TrigonellineTrigonellineME0825205570C01004542138.0554
Urocanic acidUrocanic acidME082514736715C00785302139.0497


Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
3-Hydroxybutyric acid3-Hydroxybutyric acidME082527441C01089211103.0399
Acetyl-L-Leucine-ME08252875619C02997275172.0980
Dihydroorotic acidDihydroorotic acidME082522439216C00337288157.0257
HexoseHexoseME082525206C00738209179.0562
InosineInosineME0825316021C00294199267.0740
Isonicotinic acidIsonicotinic acidME0825265922C07446350122.0246
Itaconic acidItaconic acidME082529811C0049099129.0197
maleic acidMaleic acidME082523444266C0138497115.0032
N-acetylaspartateN-Acetylaspartic acidME08252465065C01042545174.0417
Salicylic acidSalicylic acidME082530338C00805129137.0242


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