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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
1-4-beta-D-Xylan-ME869689-C02352-131.034958
2',3'-Cyclic CMP2',3' cyclic CMPME869664-C02354-304.03891
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME869681-C02630-147.029526
2-Oxoglutaramate2-Keto-glutaramic acidME869678-C00940-144.030045
3-Sulfocatechol3-SulfocatecholME869693-C06336-188.986267
4-Pyridoxate4-Pyridoxic acidME869666-C00847-182.04541
5-6-DihydrothymineDihydrothymineME869665-C00906-127.051025
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME869695-C05635-190.052216
5-Hydroxyisourate5-Hydroxyisouric acidME869662-C11821-183.01561
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME869687-C05283-274.103699
5-OxoprolinePyroglutamic acidME869683-C01879-128.035141
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME869717-C16513-329.248383
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME869716-C03242-305.248291
a-Linolenic acid (Octadecatrienoic acid)alpha-Linolenic acidME869711-C06427-277.216888
alpha-D-Ribose 1-phosphateRibose 1-phosphateME869682-C00620-229.011688
Arachidonic acid (Eicosatetraenoic acid)Arachidonic acidME869712-C00219-303.232574
asparagineAsparagineME869653-C00152-131.045929
aspartateAspartic acidME869654-C00049-132.030167
BilirubinBilirubinME869718-C00486-583.255432
CitrateCitric acidME869677-C00158-191.019516
cystineCystineME869656-C00491-239.016052
Decanoic acid (caprate)Capric acidME869702-C01571-171.138718
Dehydroascorbate-ME869685-C05422-173.008804
D-GlucoseGlucoseME869669-C00031-179.055984
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME869670-C00118-168.989059
DiphosphatePyrophosphateME869668-C00013-176.935593
Docosahexaenoic acidDocosahexaenoic acidME869713-C06429-327.232727
Dodecanedioic acidDodecanedioic acidME869714-C02678-229.144424
Dodecanoic acid (lauric acid)Lauric acidME869703-C02679-199.169968
D-RhamnoseRhamnoseME869676-C01684-163.060822
D-RiboseRiboseME869675-C00121-149.045181
dTMPdTMPME869657-C00364-321.052124
Eicosapentaenoic acidEicosapentaenoic acidME869715-C06428-301.216949
Ethanolamine phosphatePhosphoethanolamineME869697-C00346-140.011658
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME869686-C03738-217.08255
glutamateGlutamic acidME869655-C00025-146.045715
Glycerol 3-phosphatesn-Glycero-3-phosphateME869696-C00093-171.006042
GlycolateGlycolic acidME869690-C00160-75.008759
Heptanoic acidHeptylic acidME869700-C17714-129.091843
Hexadecanoic acid (palmitic acid)Palmitic acidME869705-C00249-255.232452
Hexadecenoic acid (Palmitoleic acid)Palmitoleic acidME869708-C08362-253.216827
HypoxanthineHypoxanthineME869661-C00262-135.0298
InosineInosineME869660-C00294-267.07251
LactateLactic acidME869672-C01432-89.024376
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)Linoleic acidME869710-C01595-279.232483
MalateMalic acidME869680-C00149-133.013962
MaltoseMaltoseME869673-C00208-341.108612
MannitolMannitolME869674-C00392-181.070724
N-AcetylornithineN-AcetylornithineME869691-C00437-173.092957
Octadecanoic acid (stearic acid)Stearic acidME869706-C01530-283.263855
Octadecenoic acid (Oleic acid)Oleic acidME869709-C00712-281.248169
Octanoic acid (caprylate)Caprylic acidME869701-C06423-143.107468
PantothenolPantothenolME869692-C00864-218.103134
PhosphatePhosphoric acidME869667-C00009-96.969597
PyruvatePyruvic acidME869671-C00022-87.008751
(R)-S-LactoylglutathioneS-LactoylglutathioneME869694-C03451-378.10144
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME869684-C05526-425.079712
Sphinganine 1-phosphateSphinganine 1-phosphateME869699-C01120-380.255981
Sphingosine 1-phosphateSphingosine 1-phosphateME869698-C06124-378.240845
SuccinateSuccinic acidME869679-C00042-117.019295
Tetradecanoic acid (myristic acid)Myristic acidME869704-C06424-227.201218
Tetradecenoic acid (myristoleic acid)Myristoleic acidME869707-C08322-225.185593
TetrahydrofolateTHFME869688-C00101-444.159302
ThymidineThymidineME869658-C00214-241.081039
UDPUDPME869659-C00015-402.999573
UrateUric acidME869663-C00366-167.020813


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Oxoglutarate2-Oxoglutaric acidME869741-C00026-147.028397
3-Methyleneoxindole3-MethyleneoxindoleME869755-C02796-146.059448
4-Acetamidobutanoate4-Acetamidobutanoic acidME869749-C02946-146.080627
acetyl-carnitine (acyl-C2)CAR 2:0ME869769-C02571-204.122467
AcetylcholineAcetylcholineME869766-C01996-146.117111
acyl-C4-OHCAR 4:0;OHME869772-HMDB13127-248.146515
acyl-C5:1CAR 5:1ME869773-HMDB02366-244.15358
alanineAlanineME869719-C00041-90.054695
AllantoateAllantoic acidME869738-C00499-177.06044
Anthranilate2-Aminobenzoic acidME869759-C00108-138.054291
arginineArginineME869720-C00062-175.118362
butanoyl-l-carnitine (acyl-C4)CAR 4:0ME869771-C02862-232.153656
CholineCholineME869767-C00114-104.106628
CreatineCreatineME869747-C00300-132.076233
CreatinineCreatinineME869748-C00791-114.065781
DimethylglycineDimethylglycineME869744-C01026-104.07032
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME869742-C05695-313.034698
glutamineGlutamineME869721-C00064-147.076019
glycineGlycineME869722-C00037-76.039062
g-Oxalo-crotonate4-Oxalocrotonic acidME869761-C03453-159.027267
GuanidinoacetateGuanidoacetic acidME869750-C00581-118.060631
hexanoyl-L-carnitine (acyl-C6)CAR 6:0ME869774-HMDB00756-260.184326
histidineHistidineME869723-C00135-156.076172
IDPIDPME869735-C00104-429.023529
IMPIMPME869736-C00130-349.058716
Indole-3-acetateIndoleacetic acidME869756-C00954-176.070129
IndolepyruvateIndolepyruvateME869757-C00331-204.062469
ITPITPME869734-C00081-508.978638
kynurenineKynurenineME869758-C00328-209.091431
L-AdrenalineEpinephrineME869762-C00788-184.093719
L-CarnitineCarnitineME869768-C00318-162.111801
L-CitrullineCitrullineME869746-C00327-176.102219
L-CysteateCysteic acidME869753-C00506-170.011841
leucine/isoleucineLeucine/IsoleucineME869724-C00123-132.101517
L-HomocysteineHomocysteineME869743-C00155-136.042053
L-Methionine S-oxideMethionine sulfoxideME869754-C02989-166.052673
L-octanoylcarnitine (acyl-C8)CAR 8:0ME869775-HMDB00791-288.216064
lysineLysineME869725-C00047-147.112228
methionineMethionineME869726-C00073-150.057755
NicotinamideNiacinamideME869740-C00153-123.054779
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME869764-C01210-156.041412
octenoyl-l-carnitine (acyl-C8:1)-ME869776-ac111-286.200439
O-Decenoyl-L-carnitine (acyl-C10:1)-ME869777-CID57357170-314.231445
OrnithineOrnithineME869745-C01602-133.096664
phenylalaninePhenylalanineME869727-C00079-166.085571
Picolinic acidPicolinic acidME869760-C10164-124.040703
prolineProlineME869728-C00148-116.070297
propionyl-carnitine (acyl-C3)CAR 3:0ME869770-C03017-218.138092
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME869739-C00647-249.060349
serineSerineME869729-C00065-106.049683
SerotoninSerotoninME869763-C00780-177.10379
SphingosineSphingosineME869765-C00319-300.288879
TaurineTaurineME869752-C00245-126.021507
threonineThreonineME869730-C00188-120.065254
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME869751-C01157-132.065216
tryptophanTryptophanME869731-C00078-205.096176
tyrosineTyrosineME869732-C00082-182.080261
valineValineME869733-C00183-118.085922
XanthineXanthineME869737-C00385-153.040146


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