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Analysis: Other POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
11-Aminoundecanoic acid11-Amino-undecanoic acidME294286-C19325-202.1797783
1-Methyl-2-pyrrolidone-ME294297-C11118-100.07619
4-Guanidinobutyric acid4-Guanidinobutanoic acidME294258-C01035-146.0923617
5-Aminoindole-ME294281---133.0757433
AdenineAdenineME294255-C00147-136.0614325
AdenosineAdenosineME294262-C00212-268.1034475
AgmatineAgmatineME294260-C00179-131.12898
AlaAlanineME294249-C00041-90.05512925
ArgArginineME294276-C00062-175.118755
AsnAsparagineME294259-C00152-133.0596786
AspAspartic acidME294273-C00049-134.0441427
Benzimidazole1H-BenzimidazoleME294261-C02009-119.0607514
CadaverineCadaverineME294267-C01672-103.1227122
CarnitineCarnitineME294257-C00318-162.1125486
CholineCholineME294285-C00114-104.1067767
CitrullineCitrullineME294271-C00327-176.1025764
CyclohexylamineCyclohexylamineME294291-C00571-100.1118706
CytosineCytosineME294252-C00380-112.0511697
D-Alanyl-D-alanine-ME294246-C00993-161.0907333
DeoxyadenosineDeoxyadenosineME294268-C00559-252.10852
DiethanolamineDiethanolamineME294270-C06772-106.0862033
EthanolamineEthanolamineME294284-C00189-62.06036983
GlnGlutamineME294294-C00064-147.07592
GluGlutamic acidME294254-C00025-148.0603108
GlyGlycineME294263-C00037-76.0392545
GuanineGuanineME294253-C00242-152.0567542
HisHistidineME294274-C00135-156.0760644
HypoxanthineHypoxanthineME294244-C00262-137.0452
IleIsoleucineME294282-C00407-132.1018067
LeuLeucineME294292-C00123-132.1019008
LysLysineME294265-C00047-147.1122192
MetMethionineME294277-C00073-150.0582575
Methionine sulfoxideMethionine sulfoxideME294264-C02989-166.05293
Mevalolactone-ME294275---131.07069
Morpholine-ME294266-C14452-88.075928
N-Acetyllysine-ME294247-C12989-189.12248
N-AcetylornithineN-AcetylornithineME294243-C00437-175.10739
NicotinamideNiacinamideME294250-C00153-123.0549668
OrnithineOrnithineME294290-C00077-133.0970833
PhePhenylalanineME294283-C00079-166.08573
ProProlineME294279-C00148-116.0708242
PutrescinePutrescineME294251-C00134-89.10758545
Ribavirin-ME294295-C07234-245.0900233
RiboflavinRiboflavinME294278-C00255-377.1439858
SerSerineME294287-C00065-106.0497429
ThiamineThiamineME294298-C00378-265.1111
ThrThreonineME294288-C00188-120.0654325
ThymidineThymidineME294256-C00214-243.0872392
ThymineThymineME294299-C00178-127.04963
TriethanolamineTriethanolamineME294293-C06771-150.1118542
TrpTryptophanME294248-C00078-205.09642
TyrTyrosineME294272-C00082-182.080525
TyramineTyramineME294245-C00483-138.09122
UreaUreaME294289-C00086-61.04034792
UridineUridineME294296-C00299-245.07693
Urocanic acidUrocanic acidME294280-C00785-139.0500878
ValValineME294269-C00183-118.0860323


Analysis: Other NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME294309---117.0559795
3-Phenylpropionic acidHydrocinnamic acidME294316-C05629-149.0604833
5-Oxohexanoic acid-ME294327-C02129-129.05674
5-OxoprolinePyroglutamic acidME294325-C01879-128.035305
ADPADPME294317-C00008-426.0236725
AMPAMPME294305-C00020-346.0568242
Benzoic acidBenzoic acidME294324-C00180-121.0302688
Decanoic acidCapric acidME294307-C01571-171.1394908
Dihydroxyacetone phosphateDihydroxyacetone phosphateME294321-C00111-168.9920325
dTMPdTMPME294303-C00364-321.05112
Flavin adenine dinucleotideFADME294314-C00016-391.5727842
Flavin mononucleotideFMNME294319-C00061-455.0992458
Glucose 6-phosphateGlucose 6-phosphateME294311-C00668-259.0239142
Glyceraldehyde 3-phosphateGlyceraldehyde 3-phosphateME294326-C00118-168.99168
Glycerol 3-phosphatesn-Glycero-3-phosphateME294323-C00093-171.0068908
Heptanoic acidHeptylic acidME294301---129.09239
Hexanoic acidCaproic acidME294308-C01585-115.0769255
Isovaleric acidIsovaleric acidME294300-C08262-101.0616388
Lactic acidLactic acidME294320-C00186-89.02549667
Lauric acidLauric acidME294315-C02679-199.1716717
Myristoleic acidMyristoleic acidME294322-C08322-225.1869658
NAD+NAD+ME294306-C00003-662.1030592
Octanoic acidCaprylic acidME294310-C06423-143.1081927
Pelargonic acidPelargonic acidME294312-C01601-157.12334
Quinic acidQuinic acidME294313-C00296-191.0569883
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME294302-C05382-289.03384
Terephthalic acidTerephthalic acidME294318-C06337-165.0197483
UMPUMPME294304-C00105-323.0299


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