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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
NiacinamideNiacinamideME681439936C00153145123.0556
5'-Methylthioadenosine5'-MethylthioadenosineME681442439176C00170157298.0971
AdenosineAdenosineME68144460961C00212214268.1044
GuanosineGuanosineME6814496802C00387230284.0991
DeoxycytidineDeoxycytidineME68144513711C00881250228.0977
PE 36:2; [M+H]+PE 36:2ME681434--263744.5537
PE 37:2; [M+H]+PE 37:2ME681440--263758.5686
PE 34:2; [M+H]+PE 34:2ME681432--267716.5237
PE 35:2; [M+H]+PE 35:2ME681437--267730.5387
PE 34:1; [M+H]+PE 34:1ME681433--269718.5384
PE 33:2; [M+H]+PE 33:2ME681438--271702.5069
PE 32:1; [M+H]+PE 32:1ME681431--273690.5084
PE 33:1; [M+H]+PE 33:1ME681427--273704.5238
PE 32:2; [M+H]+PE 32:2ME681428--275688.4904
PE 31:1; [M+H]+PE 31:1ME681426--279676.4922
PE 30:1; [M+H]+PE 30:1ME681429--280662.4772
PE 30:0; [M+H]+PE 30:0ME681448--283664.4911
PE 29:1; [M+H]+PE 29:1ME681415--284648.4594
PE 29:0; [M+H]+PE 29:0ME681423--286650.475
PE 28:0; [M+H]+PE 28:0ME681422--289636.46
PE 28:1; [M+H]+PE 28:1ME681417--289634.4433
PE 27:0; [M+H]+PE 27:0ME681421--294622.4445
PE 26:0; [M+H]+PE 26:0ME681416--299608.4292
Urocanic acidUrocanic acidME681446736715C00785302139.0497
Pantothenic AcidPantothenic acidME681435988C00864313220.1179
Niacin (Nicotinic acid)Nicotinic acidME681424938C00253350124.0396
1-Methyladenosine1-MethyladenosineME68141827476C02494386282.1208
lysoPE 18:1; [M+H]+LPE 18:1ME681447--454480.3091
lysoPE 16:0; [M+H]+LPE 16:0ME681441--455454.2918
lysoPE 17:1; [M+H]+LPE 17:1ME681443--455466.2927
lysoPE 16:1; [M+H]+LPE 16:1ME681425--457452.2769
lysoPE 15:0; [M+H]+LPE 15:0ME681419--458440.2781
lysoPE 14:0; [M+H]+LPE 14:0ME681420444183-461426.2603
PhenylalaninePhenylalanineME6814306140C00079479166.0849
ProlineProlineME681436145742C00148527116.0712
CholineCholineME681453305C00114532104.1081
TrigonellineTrigonellineME6814525570C01004542138.0554
gamma-Aminobutryic acidgamma-Aminobutyric acidME681414119C00334579104.0707
AcetylcarnitineCAR 2:0ME6814501C02571602204.1232
L-CarnitineCarnitineME681451288-632162.1118


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
Salicylic acidSalicylic acidME681462338C00805129137.0242
InosineInosineME6814636021C00294199267.074
HexoseHexoseME681457206C00738209179.0562
3-Hydroxybutyric acid3-Hydroxybutyric acidME681459441C01089211103.0399
Acetyl-L-LeucineN-AcetylleucineME68146075619C02997275172.098
Dihydroorotic acidDihydroorotic acidME681454439216C00337288157.0257
Isonicotinic acidIsonicotinic acidME6814585922C07446350122.0246
N-acetylaspartateN-Acetylaspartic acidME68145665065C01042545174.0417
maleic acidMaleic acidME681455444266C0138497115.0032
Itaconic acidItaconic acidME681461811C0049099129.0197


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