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Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
026 Adenine-ME935153-c00047-134.047104
1-4-beta-D-Xylan-ME935116-C02352-131.035049
2' 3'-Cyclic CMP 13C92',3' cyclic CMPME935162-C02354-313.065094
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME935089-C00631-184.985641
2-Aminomuconate2-Aminomuconic acidME935126-C02220-156.029633
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME935102-C02630-147.029907
2-Oxoglutarate2-Oxoglutaric acidME935098-C00026-145.014267
5-OxoprolinePyroglutamic acidME935109-C01879-128.035263
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME935106-C00119-388.93988
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME935145-C16513-329.248718
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME935144-C03242-305.248718
AdenineAdenineME935070-C00147-134.047287
Adenine 13C5AdenineME935154-c00047-139.064117
AdenosineAdenosineME935069-C00212-266.089264
Adenosine 13C10AdenosineME935152-C00212-276.11734
ADPADPME935067-C00008-426.022003
ADP-D-riboseADP-riboseME935082-C01882-558.064331
alpha-D-Ribose 1-phosphateRibose 1-phosphateME935105-C00620-229.01178
AMPAMPME935068-C00020-346.055939
AMP 13C10AMPME935151-C00020-356.089355
AMP 13C2AMPME935146-C00020-348.062836
AMP 13C5AMPME935147-C00020-351.071838
AMP 13C6AMPME935148-C00020-352.081818
AMP 13C8AMPME935149-C00020-354.073364
AMP 13C9AMPME935150-C00020-355.081573
Arabitol/Xylitol/Ribitol-ME935096-C01904-151.061462
AscorbateVitamin CME935111-C00072-175.024734
AsparagineAsparagineME935061-C00152-131.046265
AspartateAspartic acidME935062-C00049-132.030258
CitrateCitric acidME935097-C00158-191.019608
Citrate 13C2Citric acidME935155-C00158-193.025787
Citrate 13C3Citric acidME935156-C00158-194.029938
Citrate 13C4Citric acidME935157-C00158-195.031006
Citrate 13C6Citric acidME935158-C00158-197.037806
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME935118-C00128-613.140259
CystineCystineME935066-C00491-239.016541
Decanoic acid (caprate)Capric acidME935133-C01571-171.138992
DehydroascorbateDehydroascorbic acidME935112-C05422-173.009079
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME935087-C00354-338.988739
D-GlucoseGlucoseME935085-C00031-179.055984
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME935088-C00118-168.990784
DiphosphatePyrophosphateME935084-C00013-176.935883
Docosahexaenoic acidDocosahexaenoic acidME935143-C06429-327.233063
Dodecanoic acidLauric acidME935134-C02679-199.170227
Eicosapentaenoic acidEicosapentaenoic acidME935142-C06428-301.217438
Eicosatetraenoic acidEicosatetraenoic acidME935141-C00219-303.233093
Ethanolamine phosphatePhosphoethanolamineME935128-C00346-140.011749
FumarateFumaric acidME935100-C00122-115.003777
GDPGDPME935071-C00035-442.017273
Glutathione disulfideOxidized glutathioneME935108-C00127-611.144592
Glutathione (GSH)GlutathioneME935107-C00051-306.077698
Glycerol 3-phosphatesn-Glycero-3-phosphateME935127-C00093-171.006485
GlycineGlycineME935063-C00037-74.024742
GMPGMPME935072-C00144-362.050751
g-Oxalo-crotonate4-Oxalocrotonic acidME935125-C03453-157.011871
Hexadecanoic acidPalmitic acidME935136-C00249-255.232849
Hexanoic acid (caproate)Caproic acidME935130-C01585-115.076538
Hexose phosphateHexose 6-phosphateME935086-C02965-259.022491
HypotaurineHypotaurineME935121-C00519-108.01252
HypoxanthineHypoxanthineME935078-C00262-135.031265
IDPIDPME935075-C00104-427.007355
IMPIMPME935076-C00130-347.039734
Indole-3-acetaldehydeIndoleacetaldehydeME935123-C00637-158.061218
InosineInosineME935077-C00294-267.073242
ItaconateItaconic acidME935103-C00490-129.019409
Itaconate 13C2Itaconic acidME935161-C00490-131.025009
LactateLactic acidME935092-C01432-89.024406
L-CysteateCysteic acidME935122-C00506-167.997131
L-gamma-Glutamyl-L-hypoglycin-ME935113-C08280-269.112091
LinoleateLinoleic acidME935140-C01595-279.233093
MalateMalic acidME935101-C00149-133.014221
Malate 13C2Malic acidME935160-C00149-135.018967
Maltose/Sucrose-ME935093-C00208-341.109314
Mannitol/Sorbitol/Glucitol/Iditol-ME935094-C00392-181.071762
N-AcetylneuraminateN-Acetylneuraminic acidME935114-C00270-308.098877
N-formyl kynurenineN-FormylkynurenineME935124-C02700-235.075821
N-Glycoloyl-neuraminateN-Glycolylneuraminic acidME935115-C03410-324.093719
Nonanoic acid (pelargonate)Pelargonic acidME935132-C01601-157.123413
Octadecanoic acid (stearic acid)Stearic acidME935137-C01530-283.264343
Octadecenoic acid (oleic acid)Oleic acidME935139-C00712-281.248718
Octanoic acid (caprylate)Caprylic acidME935131-C06423-143.107758
PhosphatePhosphoric acidME935083-C00009-96.96962
PhosphocreatinePhosphocreatineME935119-C02305-210.028442
PhosphoenolpyruvatePhosphoenolpyruvic acidME935090-C00074-166.975082
PyruvatePyruvic acidME935091-C00022-87.008774
Ribose/Ribulose/Arabinose/Xylose/Xylulose-ME935095-C00121-149.045578
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME935104-C06222-289.031738
SerineSerineME935064-C00065-104.035271
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME935110-C05526-425.080475
Sphingosine 1-phosphateSphingosine 1-phosphateME935129-C06124-378.240173
SuccinateSuccinic acidME935099-C00042-117.019432
Succinate 13C4Succinic acidME935159-C00042-121.033032
TaurineTaurineME935120-C00245-124.007362
Tetradecanoic acidMyristic acidME935135-C06424-227.201767
Tetradecenoic acidTetradecenoic acidME935138-C08322-225.186035
TyrosineTyrosineME935065-C00082-180.066528
UDPUDPME935073-C00015-402.99472
UDP-glucoseUDP-glucoseME935081-C00029-565.047607
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME935117-C00043-606.07428
UMPUMPME935074-C00105-323.028717
UrateUric acidME935080-C00366-167.021118
XanthineXanthineME935079-C00385-151.026276


Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME935187-C05283-276.119049
AC(5-OH)CAR 5:0;OHME935213---262.164948
acetyl-carnitineCAR 2:0ME935210-C02571-204.123032
AcetylcholineAcetylcholineME935208-C01996-146.117584
acyl-C18:2CAR 18:2ME935219---424.34198
acyl-C5CAR 5:0ME935212-C20826-246.169952
AlanineAlanineME935163-C00041-90.05513
ArginineArginineME935164-C00062-175.119049
Arginine 13C4ArginineME935220-C00062-179.128723
Arginine 13C5ArginineME935221-C00062-180.136261
Arginine 13C6ArginineME935222-C00062-181.138931
CadaverineCadaverineME935193-C01672-103.123207
CarnosineCarnosineME935197-C00386-227.113724
CholineCholineME935207-C00114-104.107285
CreatineCreatineME935198-C00300-132.076797
CreatinineCreatinineME935199-C00791-114.066399
CystathionineCystathionineME935188-C00542-223.074768
Cystathionine 13C7CystathionineME935237-C00542-230.09758
CysteineCysteineME935165-C00097-122.027229
CytosineCytosineME935179-C00380-112.050766
DimethylglycineDimethylglycineME935189-C01026-104.070808
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME935185-C15767-233.113266
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME935184-C03738-219.097626
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME935183-C00669-251.069519
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME935186-C15699-218.149857
GlutamateGlutamic acidME935166-C00025-148.060516
Glutamate 13C2Glutamic acidME935223-C00025-150.066727
Glutamate 13C3Glutamic acidME935224-C00025-151.070984
Glutamate 13C4Glutamic acidME935225-C00025-152.070648
Glutamate 13C5Glutamic acidME935226-C00025-153.076691
GlutamineGlutamineME935167-C00064-147.076462
Glutathione 13C2GlutathioneME935229-C00051-310.097107
Glutathione 13C3GlutathioneME935230-C00051-311.100952
Glutathione 13C4GlutathioneME935231-C00051-312.1026
Glutathione 13C5GlutathioneME935232-C00051-313.107147
Glutathione 13C6GlutathioneME935233-C00051-314.105286
Glutathione 13C8GlutathioneME935234-C00051-316.121887
Glutathione disulfide 13C2Oxidized glutathioneME935235-C00127-615.157227
Glutathione disulfide 13C3Oxidized glutathioneME935236-C00127-616.168091
GuanidinoacetateGuanidoacetic acidME935202-C00581-118.061378
GuanineGuanineME935178-C00242-152.056671
GuanosineGuanosineME935177-C00387-284.098969
Hexadecenoyl-carnitineCAR 16:0ME935216---398.327209
HistidineHistidineME935168-C00135-156.076797
Indole-3-acetateIndoleacetic acidME935205-C00954-176.070541
L-CarnitineCarnitineME935209-C00318-162.112381
L-CitrullineCitrullineME935192-C00327-176.102905
Leucine/isoleucineLeucine/IsoleucineME935169-C00123-132.102036
L-Methionine S-oxideMethionine sulfoxideME935204-C02989-166.053253
L-PalmitoylcarnitineCAR 16:0ME935215-C02990-400.342133
LysineLysineME935170-C00047-147.112869
MethionineMethionineME935171-C00073-150.058395
Methionine 13C2MethionineME935227-C00073-152.068008
Methionine 13C5MethionineME935228-C00073-155.073517
N-Acetyl-L-citrullineN-AcetylcitrullineME935200-C15532-218.113373
N-AcetylornithineN-AcetylornithineME935201-C00437-175.107666
NAD+NADME935182-C00003-664.117004
NicotinamideNiacinamideME935181-C00153-123.05555
Octadecanoyl-L-carnitineCAR 18:0ME935217---428.373199
O-octadecenoyl-L-carnitine-ME935218---426.35791
OrnithineOrnithineME935191-C01602-133.097244
Ornithine 13C3OrnithineME935245-C001602-136.10611
O-tetradecanoyl-L-carnitineCAR 14:0ME935214---372.31076
PhenylalaninePhenylalanineME935172-C00079-166.086227
ProlineProlineME935173-C00148-116.070801
propionyl-carnitineCAR 3:0ME935211-C03017-218.138672
PutrescinePutrescineME935194-C00134-89.10746
Putrescine 13C4PutrescineME935238-C00134-93.120972
PyridoxalPyridoxalME935180-C00250-168.06546
S-Adenosyl-L-methionineS-AdenosylmethionineME935190-C00019-399.144531
SpermidineSpermidineME935195-C00315-146.165131
Spermidine 13C2SpermidineME935239-C00315-148.171646
Spermidine 13C3SpermidineME935240-C00315-149.175232
Spermidine 13C4SpermidineME935241-C00315-150.178665
Spermidine 13C5SpermidineME935242-C00315-151.182007
Spermidine 13C6SpermidineME935243-C00315-152.18541
Spermidine 13C7SpermidineME935244-C00315-153.188599
SpermineSpermineME935196-C00750-203.222931
SphingosineSphingosineME935206-C00319-300.289703
ThreonineThreonineME935174-C00188-120.065704
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME935203-C01157-132.065582
TryptophanTryptophanME935175-C00078-205.09697
ValineValineME935176-C00183-118.086418


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