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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
2',3'-Cyclic CMP2',3' cyclic CMPME536569-C02354-304.0387
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME536575-C00631-184.9846
2-Oxoglutaramate2-Keto-glutaramic acidME536582-C00940-145.0137
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME536592-C03232-182.9668
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME536613-C16513-329.249
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME536612-C03242-305.2487
alpha-D-Ribose 1-phosphateRibose 1-phosphateME536588-C00620-229.0112
AscorbateVitamin CME536589-C00072-170.5368
CitrateCitric acidME536581-C00158-191.0188
dAMPdAMPME536567-C00360-330.057
dCMPdCMPME536568-C00239-306.054
Decanoic acid (caprate)Capric acidME536600-C01571-171.1381
D-GlucoseGlucoseME536573-C00031-179.0554
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME536574-C00118-184.9846
DimethylglycineDimethylglycineME536591-C01026-102.0545
DiphosphatePyrophosphateME536572-C00013-172.2786
Docosahexaenoic acidDocosahexaenoic acidME536611-C06429-327.2331
Dodecanoic acidLauric acidME536601-C02679-199.1695
Eicosapentaenoic acidEicosapentaenoic acidME536610-C06428-301.2172
Eicosatetraenoic acidEicosatetraenoic acidME536609-C00219-303.2328
FumarateFumaric acidME536584-C00122-115.0022
Hexadecanoic acidPalmitic acidME536603-C00249-255.2327
LactateLactic acidME536577-C01432-89.02291
L-gamma-Glutamyl-L-hypoglycin-ME536590-C08280-269.1117
LinoleateLinoleic acidME536607-C01595-279.2328
L-SelenomethionineSelenomethionineME536598-C05335-195.9913
MalateMalic acidME536585-C00149-133.0129
MaltoseMaltoseME536578-C00208-341.1087
MaltotrioseMaltotrioseME536579-C01835-503.1624
MannitolMannitolME536580-C00392-181.0706
N-Acetyl-L-citrullineN-AcetylcitrullineME536595-C15532-216.0981
N-AcetylneuraminateN-Acetylneuraminic acidME536593-C00270-308.0985
N-AcetylornithineN-AcetylornithineME536596-C00437-173.0921
Nonanoic acid (pelargonate)Pelargonic acidME536599-C01601-157.1222
Octadecanoic acidStearic acidME536604-C01530-283.2639
Octadecatrienoic acidOctadecatrienoic acidME536608-C06427-269.7249
Octadecenoic acidOctadecenoic acidME536606-C00712-281.2484
OxaloacetateOxaloacetic acidME536586-C00036-131.0003
PantetheinePantetheineME536597-C00831-277.1221
PhosphatePhosphoric acidME536571-C00009-96.96803
PhosphoenolpyruvatePhosphoenolpyruvic acidME536576-C00074-166.9736
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME536587-C06222-289.0329
SuccinateSuccinic acidME536583-C00042-117.0179
Tetradecanoic acidMyristic acidME536602-C06424-227.2011
Tetradecenoic acidTetradecenoic acidME536605-C08322-225.1855
UDP-glucoseUDP-glucoseME536570-C00029-565.0472
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME536594-C00043-606.074


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-Aminomuconate2-Aminomuconic acidME536681-C02220-158.0451
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME536654-C02630-149.0448
5-OxoprolinePyroglutamic acidME536657-C01879-130.0499
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME536675-C08480-206.0479
8-Methoxykynurenate-ME536682-C05830-220.0618
AcetylcholineAcetylcholineME536685-C01996-146.1176
acyl-C2 (acetyl-carnitine)CAR 2:0ME536688-C02571-204.1229
acyl-C3 (propionyl-carnitine)CAR 3:0ME536689-C03017-218.139
acyl-C5 (isovalerylcarnitine)CAR 4:0;3MeME536690-C20826-246.1695
acyl-C5-OHCAR 5:0;OHME536691-ac107-262.1643
acyl-C8 (L-octanoylcarnitineCAR 8:0ME536692-HMDB00791-288.2162
AdenineAdenineME536633-C00147-136.0618
AdenosineAdenosineME536632-C00212-268.1034
AllantoateAllantoic acidME536647-C00499-177.061
AMPAMPME536631-C00020-322.287
CadaverineCadaverineME536664-C01672-99.43992
CholineCholineME536686-C00114-104.1069
CMPCMPME536637-C00055-324.0585
CreatineCreatineME536670-C00300-132.0767
CytidineCytidineME536638-C00475-244.0924
CytosineCytosineME536639-C00380-112.0504
D-Erythrose 4-phosphateErythrose 4-phosphateME536655-C00279-201.018
D-RhamnoseRhamnoseME536653-C01684-159.5732
D-RiboseRiboseME536652-C00121-151.0614
Ethanolamine phosphatePhosphoethanolamineME536684-C00346-142.0264
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME536659-C15767-233.1131
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME536658-C05695-313.0332
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME536660-C15699-218.1497
GlutathioneGlutathioneME536656-C00051-308.0905
Glycerol 3-phosphatesn-Glycero-3-phosphateME536683-C00093-173.0234
GMPGMPME536634-C00144-364.0646
g-Oxalo-crotonate4-Oxalocrotonic acidME536680-C03453-159.0277
GuanineGuanineME536636-C00242-147.5839
GuanosineGuanosineME536635-C00387-284.0984
HypoxanthineHypoxanthineME536645-C00262-137.0458
IMPIMPME536643-C00130-349.054
Indole-3-acetaldehydeIndoleacetaldehydeME536673-C00637-160.0742
IndolepyruvateIndolepyruvateME536674-C00331-196.7753
InosineInosineME536644-C00294-269.0874
kynurenineKynurenineME536677-C00328-209.0916
L-alanineAlanineME536614-C00041-90.05491
L-arginineArginineME536615-C00062-175.1188
L-aspartateAspartic acidME536616-C00049-134.0447
L-CarnitineCarnitineME536687-C00318-162.1123
L-CysteateCysteic acidME536672-C00506-170.0109
L-cysteineCysteineME536617-C00097-122.0268
L-glutamateGlutamic acidME536618-C00025-148.0604
L-glutamineGlutamineME536619-C00064-147.0764
L-histidineHistidineME536620-C00135-156.0767
L-leucineLeucineME536621-C00123-132.1018
L-lysineLysineME536622-C00047-147.1128
L-methionineMethionineME536623-C00073-150.0579
L-phenylalaninePhenylalanineME536624-C00079-166.0861
L-prolineProlineME536625-C00148-116.0705
L-serineSerineME536626-C00065-106.0498
L-threonineThreonineME536627-C00188-120.0654
L-tryptophanTryptophanME536628-C00078-205.0972
L-TryptophanamideTryptophanamideME536676-C00977-204.1114
L-tyrosineTyrosineME536629-C00082-182.081
L-valineValineME536630-C00183-118.0861
NAD+NAD+ME536650-C00003-664.1157
NADHNADHME536651-C00004-666.122
N-formyl kynurenineN-Formyl-L-kynurenineME536678-C02700-237.09
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME536668-C03410-326.1081
NicotinamideNiacinamideME536649-C00153-123.0552
OrnithineOrnithineME536663-C01602-133.0971
PantothenolPantothenolME536671-C00864-220.1177
PhosphocreatinePhosphocreatineME536669-C02305-212.0427
PhosphoserinePhosphoserineME536661-C02532-186.0184
Picolinic acidPicolinic acidME536679-C10164-124.0402
PutrescinePutrescineME536665-C00134-89.10722
PyridoxalPyridoxalME536648-C00250-168.0662
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME536662-C00021-385.1287
SpermidineSpermidineME536666-C00315-146.1651
SpermineSpermineME536667-C00750-203.2228
ThymidineThymidineME536640-C00214-243.0988
UMPUMPME536641-C00105-325.0425
UracilUracilME536642-C00106-113.0353
XanthineXanthineME536646-C00385-153.0395


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