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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
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME536261-C02774-187.1330
11(R)-HPETE/Leukotriene B4 (isobars)11-HpETEME536241-C14820-335.2202
13(S)-HODE13S-HODEME536239-C14762-295.2276
2-3-Bisphosphoglycerate-ME536165-C03339-264.9515
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME536166-C00631-184.9845
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME536179-C02630-147.0282
2-Oxoglutarate2-Oxoglutaric acidME536175-C00026-145.0129
3',5'-Cyclic IMP3',5' cyclic IMPME536154-C00943-329.0299
3alpha-12alpha-Dihydroxy-5beta-cholanateDeoxycholic acidME536237-C04483-391.2880
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanateCholic acidME536235-C00695-407.2831
3-Methyleneoxindole3-MethyleneoxindoleME536204-C02796-144.0443
3-Phosphonopyruvate-ME536191-C02798-166.9748
5-6-DihydrothymineDihydrothymineME536155-C00906-127.0499
5-6-DihydrouracilDihydrouracilME536200-C00429-113.0342
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME536189-C05283-274.1040
5-OxoprolinePyroglutamic acidME536185-C01879-128.0340
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME536183-C00119-388.9482
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acidEPAME536233-C06428-301.2171
6-Phospho-D-gluconate6-Phosphogluconic acidME536180-C00345-275.0171
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME536234-C16513-329.2482
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME536232-C03242-305.2483
9-Oxononanoic acid9-Oxo-nonanoic acidME536258-C16322-171.1016
9(S)-HODE9S-HODEME536240-C14767-295.2275
AdenineAdenineME536140-C00147-134.0459
ADPADPME536138-C00008-426.0216
ADP-D-riboseADP-riboseME536158-C01882-558.0637
alpha-D-Ribose 1-phosphateRibose 1-phosphateME536182-C00620-229.0112
alpha-N-Peptidyl-L-glutamine-ME536256-C03905-313.0983
AMPAMPME536139-C00020-346.0552
AscorbateVitamin CME536187-C00072-175.0237
ATPATPME536137-C00002-505.9876
Butanoic acidButyric acidME536213-C00246-87.0436
CatechinCatechinME536254-C17590-289.0674
CDPCDPME536144-C00112-402.0056
CDP-cholineCDP-cholineME536211-C00307-487.1007
Cholesterol sulfateCholesterol sulfateME536247-C18043-465.3058
CitrateCitric acidME536174-C00158-191.0187
CMPCMPME536145-C00055-322.0439
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME536196-C00128-613.1395
CortisoneCortisoneME536248-C00762-359.1838
Cys-GlyCys-GlyME536186-C01419-177.0330
CystathionineCystathionineME536190-C00542-221.0600
CytidineCytidineME536146-C00475-242.0785
Decanoic acid (caprate)Capric acidME536218-C01571-171.1380
DehydroascorbateL-Dehydroascorbic acidME536188-C05422-173.0079
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME536163-C00354-338.9882
D-GlucoseGlucoseME536161-C00031-179.0551
D-Glucose 6-phosphateGlucose 6-phosphateME536162-C02965-259.0220
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME536164-C00118-168.9883
DiphosphatePyrophosphateME536160-C00013-176.9348
Docosahexaenoic acidDocosahexaenoic acidME536230-C06429-327.2328
Docosatetraenoic acidDocosatetraenoic acidME536253-C16527-331.2638
Dodecanedioic acidDodecanedioic acidME536231-C02678-229.1442
Dodecanoic acidLauric acidME536219-C02679-199.1694
D-RiboseRiboseME536173-C00121-149.0455
Eicosapentaenoic acidEicosapentaenoic acidME536229-C06428-301.2171
Eicosatetraenoic acidEicosatetraenoic acidME536228-C00219-303.2326
Ethanolamine phosphatePhosphoethanolamineME536210-C00346-140.0105
Fe(III)dicitrate-ME536255-C06229-389.0906
FumarateFumaric acidME536177-C00122-115.0022
GlutathioneGlutathioneME536184-C00051-306.0761
Glycerol 3-phosphatesn-Glycero-3-phosphateME536209-C00093-171.0054
Glycerone sulfateGlycerone sulfateME536259-C02543-168.9801
GlycolateGlycolic acidME536197-C00160-75.0072
GMPGMPME536141-C00144-362.0504
GuanineGuanineME536143-C00242-150.0410
GuanosineGuanosineME536142-C00387-282.0840
Heptanoic acidHeptylic acidME536215-C17714-129.0908
Hexadecanoic acidPalmitic acidME536221-C00249-255.2325
Hexadecenoic acidHexadecenoic acidME536224-C08362-253.2168
Hexanoic acid (caproate)Caproic acidME536214-C01585-115.0750
HypoxanthineHypoxanthineME536153-C00262-135.0294
IDPIDPME536150-C00104-427.0066
IMPIMPME536151-C00130-347.0460
IndoleIndoleME536205-C00463-116.0506
Indole-3-acetaldehydeIndoleacetaldehydeME536206-C00637-158.0600
IndolepyruvateIndolepyruvateME536207-C00331-202.0476
IndoxylIndoxylME536208-C05658-132.0482
InosineInosineME536152-C00294-267.0729
LactateLactic acidME536169-C01432-89.0229
L-CitrullineCitrullineME536193-C00327-174.0874
Leukotriene A4LTA4ME536245-C00909-317.2155
Leukotriene C4LTC4ME536246-C02166-624.2976
LinoleateLinoleic acidME536226-C01595-279.2326
MalateMalic acidME536178-C00149-133.0128
MaltoseMaltoseME536170-C00208-341.1085
MaltotrioseMaltotrioseME536171-C01835-503.1622
MannitolMannitolME536172-C00392-181.0694
N-AcetylmethionineN-AcetylmethionineME536260-C02712-190.0523
N-AcetylneuraminateN-Acetylneuraminic acidME536194-C00270-308.0981
N-Carbamyl-L-glutamateCarglumic acidME536263-C05829-189.0477
Nonanoic acid (pelargonate)Pelargonic acidME536217-C01601-157.1221
Octadecanoic acidStearic acidME536222-C01530-283.2638
Octadecatrienoic acidOctadecatrienoic acidME536227-C06427-277.2169
Octadecenoic acidOctadecenoic acidME536225-C00712-281.2482
Octanoic acid (caprylate)Caprylic acidME536216-C06423-143.1064
OrnithineOrnithineME536192-C01602-131.0818
OxalosuccinateOxalosuccinic acidME536262-C05379-189.0064
PantetheinePantetheineME536201-C00831-277.1237
Pantetheine 4--phosphatePantetheine 4'-phosphateME536202-C01134-357.0873
PantothenolPantothenolME536199-C00864-218.1027
PhosphatePhosphoric acidME536159-C00009-96.9681
PhosphoenolpyruvatePhosphoenolpyruvic acidME536167-C00074-166.9740
PregnanediolPregnanediolME536249-C05484-319.2638
Prostaglandin A2PGA2ME536242-C05953-333.2102
Prostaglandin D2/Thromboxane A2 (isobars)-ME536243-C00696-351.2207
Prostaglandin E2PGE2ME536244-C00584-351.2207
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME536156-C00647-247.0438
PyruvatePyruvic acidME536168-C00022-87.0073
S-Acylglutathione-ME536257-C02589-333.0587
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME536181-C06222-289.0328
Sphinganine 1-phosphateSphinganine 1-phosphateME536212-C01120-380.2546
Stearidonic acidStearidonic acidME536251-C16300-275.2013
SuccinateSuccinic acidME536176-C00042-117.0178
SulfoglycolithocholateSulfoglycolithocholic acidME536238-C11301-511.2666
TaurineTaurineME536203-C00245-124.0059
TaurocholateTaurocholic acidME536236-C05122-514.2783
Tetradecanoic acidMyristic acidME536220-C06424-227.2010
Tetradecenoic acidTetradecenoic acidME536223-C08322-225.1855
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME536198-C01157-130.0496
trans-9-Octadecenoic acidElaidic acidME536252-C01712-281.2481
UDPUDPME536147-C00015-402.9944
UDP-glucoseUDP-glucoseME536157-C00029-565.0469
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME536195-C00043-606.0737
UMPUMPME536148-C00105-323.0282
Undecanoic acidUndecylic acidME536250-C17715-185.1538
UracilUracilME536149-C00106-111.0186


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
1-Hydroxy-2-aminoethylphosphonate-ME536339-C05678-142.0261
2-Aminomuconate2-Aminomuconic acidME536320-C02220-158.0443
2-Deoxy-alpha-D-glucoside-ME536342-C03573-164.0667
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME536349-C17220-191.0760
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME536299-C03232-184.9849
5-Aminopentanoate5-Aminopentanoic acidME536312-C00431-118.0863
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME536315-C05635-192.0681
5'-Phosphoribosyl-N-formylglycinamideFGARME536289-C04376-315.0605
6-Lactoyl-5-6-7-8-tetrahydropterin6-LactoyltetrahydropterinME536341-C04244-240.1084
acyl-C4-DCCAR DC4:0ME536327-HMDB13133-262.1322
acyl-C5:1CAR 5:1ME536328-HMDB02366-244.1535
acyl-C5-OHCAR 5:0;OHME536329-ac107-262.1640
AdenosineAdenosineME536284-C00212-268.1028
AllantoateAllantoic acidME536288-C00499-177.0606
Anthranilate2-Aminobenzoic acidME536318-C00108-138.0533
CadaverineCadaverineME536301-C01672-103.1232
CarnosineCarnosineME536305-C00386-227.1130
cis-p-Coumarate-ME536343-C06738-165.0542
CreatineCreatineME536307-C00300-132.0766
CreatinineCreatinineME536308-C00791-114.0663
CytosineCytosineME536285-C00380-112.0506
DimethylglycineDimethylglycineME536298-C01026-104.0708
EctoineEctoineME536322-C06231-143.0813
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME536296-C15767-233.1124
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME536294-C05695-313.0314
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME536295-C03738-219.0969
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME536293-C00669-251.0686
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME536297-C15699-218.1492
glycineGlycineME536271-C00037-76.0399
g-Oxalo-crotonate4-Oxalocrotonic acidME536319-C03453-159.0274
GuanidinoacetateGuanidoacetic acidME536311-C00581-118.0612
Hexadecenoyl-carnitineCAR 16:0ME536336-HMDB06317-398.3250
hexanoyl-L-carnitineCAR 6:0ME536330-HMDB00756-260.1846
Indole-3-acetateIndoleacetic acidME536316-C00954-176.0703
L-AdrenalineEpinephrineME536321-C00788-184.0947
L-alanineAlanineME536264-C00041-90.0554
L-AllothreonineAllothreonineME536323-C05519-120.0655
L-arginineArginineME536265-C00062-175.1185
L-asparagineAsparagineME536266-C00152-133.0603
L-aspartateAspartic acidME536267-C00049-134.0446
L-CarnitineCarnitineME536326-C00318-162.1121
L-CysteateCysteic acidME536313-C00506-170.0090
L-cysteineCysteineME536268-C00097-122.0270
L-cystineCystineME536283-C00491-241.0292
L-glutamateGlutamic acidME536269-C00025-148.0600
L-glutamineGlutamineME536270-C00064-147.0761
L-histidineHistidineME536272-C00135-156.0764
L-leucine+isoleucineLeucineME536273-C00123-132.1017
L-lysineLysineME536274-C00047-147.1125
L-methionineMethionineME536275-C00073-150.0581
L-Methionine S-oxideMethionine sulfoxideME536314-C02989-166.0528
L-NoradrenalineNorepinephrineME536347-C00547-170.0807
L-octanoylcarnitineCAR 8:0ME536331-HMDB00791-288.2156
L-phenylalaninePhenylalanineME536276-C00079-166.0856
L-prolineProlineME536277-C00148-116.0707
L-serineSerineME536278-C00065-106.0501
L-threonineThreonineME536279-C00188-120.0655
L-tryptophanTryptophanME536280-C00078-205.0966
L-tyrosineTyrosineME536281-C00082-182.0799
L-valineValineME536282-C00183-118.0863
N5-Methyl-L-glutamineN(5)-Methyl-glutamineME536340-C03153-161.0918
N-Acetyl-L-citrullineN-AcetylcitrullineME536309-C15532-218.1129
N-AcetylornithineN-AcetylornithineME536310-C00437-175.1077
N-Acyl-D-aspartate-ME536348-C06380-161.0300
N-Acyl-D-mannosaminolactone-ME536344-C03792-205.0593
NADHNADHME536292-C00004-666.1274
N-Amidino-L-aspartateGuanidinosuccinic acidME536346-C03139-176.0656
N-formyl kynurenineN-Formyl-L-kynurenineME536317-C02700-237.0895
NicotinamideNiacinamideME536291-C00153-123.0552
Nicotinic acidNicotinic acidME536338-C00253-124.0396
Octadecanoyl-L-carnitineCAR 18:0ME536337-HMDB00848-428.3716
O-Decanoyl-L-carnitineCAR 10:0ME536332-HMDB00651-316.2469
O-Decenoyl-L-carnitineCAR 10:1ME536333-CID57357170-314.2368
O-dodecanoyl-carnitineCAR 12:0ME536334-HMDB02250-344.2792
O-dodecenoyl-carnitineCAR 12:1ME536335-HMDB13326-342.2680
PhosphocreatinePhosphocreatineME536306-C02305-212.0419
PutrescinePutrescineME536302-C00134-89.1078
PyridoxalPyridoxalME536290-C00250-168.0642
PyridoxaminePyridoxamineME536345-C00534-169.0953
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME536300-C00021-385.1277
SpermidineSpermidineME536303-C00315-146.1648
SpermineSpermineME536304-C00750-203.2224
SphingosineSphingosineME536324-C00319-300.2884
Sphingosine 1-phosphateSphingosine 1-phosphateME536325-C06124-380.2600
ThymidineThymidineME536286-C00214-243.0975
XanthineXanthineME536287-C00385-153.0388


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
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME536469-C02774-187.1330
11(R)-HPETE/Leukotriene B4 (isobars)11-HpETEME536449-C14820-335.2202
13(S)-HODE13S-HODEME536447-C14762-295.2275
(15Z)-Tetracosenoic acidNervonic acidME536463-C08323-365.3423
2-3-Bisphosphoglycerate-ME536378-C03339-264.9510
2/3-Phospho-D-glycerate2-Phosphoglyceric acidME536379-C00631-184.9845
2-Hydroxyglutarate/Citramalate2-Hydroxyglutaric acidME536390-C02630-147.0282
2-Oxoglutarate2-Oxoglutaric acidME536386-C00026-145.0129
3',5'-Cyclic IMP3',5' cyclic IMPME536368-C00943-329.0296
3alpha-12alpha-Dihydroxy-5beta-cholanateDeoxycholic acidME536446-C04483-391.2878
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanateCholic acidME536445-C00695-407.2826
3-Phosphonopyruvate-ME536405-C02798-166.9740
5-6-DihydrothymineDihydrothymineME536369-C00906-127.0500
5-6-DihydrouracilDihydrouracilME536413-C00429-113.0342
(5-L-Glutamyl)-L-glutaminegamma-GlutamylglutamineME536401-C05283-274.1045
5-OxoprolinePyroglutamic acidME536398-C01879-128.0340
5-Phospho-alpha-D-ribose 1-diphosphatePhosphoribosyl pyrophosphateME536395-C00119-388.9413
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acidEPAME536443-C06428-301.2172
6-Phospho-D-gluconate6-Phosphogluconic acidME536391-C00345-275.0168
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...DPAME536444-C16513-329.2483
(8Z-11Z-14Z)-Icosatrienoic acidDihomo-gamma-linolenic acidME536442-C03242-305.2482
9(S)-HODE9S-HODEME536448-C14767-295.2275
AdenineAdenineME536353-C00147-134.0459
ADPADPME536351-C00008-426.0224
ADP-D-riboseADP-riboseME536371-C01882-558.0600
alpha-D-Ribose 1-phosphateRibose 1-phosphateME536394-C00620-229.0112
AMPAMPME536352-C00020-346.0539
AscorbateVitamin CME536400-C00072-175.0237
ATPATPME536350-C00002-505.9848
Butanoic acidButyric acidME536424-C00246-87.0436
CarnosineCarnosineME536410-C00386-225.0988
CDP-cholineCDP-cholineME536422-C00307-487.1005
CitrateCitric acidME536385-C00158-191.0187
CMP-N-acetylneuraminateCMP-N-acetylneuraminic acidME536408-C00128-613.1364
CystathionineCystathionineME536402-C00542-221.0617
CytidineCytidineME536359-C00475-242.0782
D-Alanyl-alanyl-poly(glycerolphosphate)-ME536466-C04457-313.0782
dCMPdCMPME536358-C00239-306.0504
Decanoic acid (caprate)Capric acidME536428-C01571-171.1379
D-Erythrose 4-phosphateErythrose 4-phosphateME536392-C00279-199.0036
D-Fructose 1-6-bisphosphateFructose 1,6-bisphosphateME536376-C00354-338.9886
D-GlucoseGlucoseME536374-C00031-179.0550
D-Glucose 6-phosphateGlucose 6-phosphateME536375-C02965-259.0219
D-Glyceraldehyde 3-phosphate/Glycerone phosphateGlyceraldehyde 3-phosphateME536377-C00118-168.9887
DimethylglycineDimethylglycineME536403-C01026-102.0545
DiphosphatePyrophosphateME536373-C00013-176.9343
Docosahexaenoic acidDocosahexaenoic acidME536440-C06429-327.2328
Docosatetraenoic acidDocosatetraenoic acidME536462-C16527-331.2638
Dodecanedioic acidDodecanedioic acidME536441-C02678-229.1441
Dodecanoic acidLauric acidME536429-C02679-199.1694
D-RiboseRiboseME536384-C00121-149.0453
EctoineEctoineME536419-C06231-141.0654
Eicosapentaenoic acidEicosapentaenoic acidME536439-C06428-301.2172
Eicosatetraenoic acidEicosatetraenoic acidME536438-C00219-303.2325
Ethanolamine phosphatePhosphoethanolamineME536420-C00346-140.0102
Ferric gluconate-ME536465-C13511-194.0469
FumarateFumaric acidME536388-C00122-115.0022
GDPGDPME536355-C00035-442.0167
GlutathioneGlutathioneME536396-C00051-306.0779
Glutathione disulfideOxidized glutathioneME536397-C00127-611.1441
GlycolateGlycolic acidME536409-C00160-75.0072
g-Oxalo-crotonate4-Oxalocrotonic acidME536418-C03453-157.0112
GTPGTPME536354-C00044-521.9797
GuanineGuanineME536357-C00242-150.0397
GuanosineGuanosineME536356-C00387-282.0845
Heptanoic acidHeptylic acidME536425-C17714-129.0907
Hexadecanoic acidPalmitic acidME536431-C00249-255.2325
Hexadecenoic acidHexadecenoic acidME536434-C08362-253.2169
IDPIDPME536364-C00104-427.0037
IMPIMPME536365-C00130-347.0402
Indole-3-acetaldehydeIndoleacetaldehydeME536415-C00637-158.0599
IndolepyruvateIndolepyruvateME536416-C00331-202.0481
InosineInosineME536366-C00294-267.0742
LactateLactic acidME536382-C01432-89.0229
Leukotriene A4LTA4ME536458-C00909-317.2126
LinoleateLinoleic acidME536436-C01595-279.2326
MalateMalic acidME536389-C00149-133.0128
MannitolMannitolME536383-C00392-181.0691
N1-AcetylspermineN1-AcetylspermineME536464-C02567-243.2233
N-AcetylmethionineN-AcetylmethionineME536468-C02712-190.0525
N-Carbamyl-L-glutamateCarglumic acidME536471-C05829-189.0488
N-formyl kynurenineN-Formyl-L-kynurenineME536417-C02700-235.0749
N-Glycoloyl-neuraminateN-Glycoloylneuraminic acidME536406-C03410-324.095
N-Methylethanolamine phosphateN-Methylethanolamine phosphateME536421-C01210-154.0249
Nonanoic acid (pelargonate)Pelargonic acidME536427-C01601-157.1221
Octadecanoic acidStearic acidME536432-C01530-283.2638
Octadecatrienoic acidOctadecatrienoic acidME536437-C06427-277.2171
Octadecenoic acidOctadecenoic acidME536435-C00712-281.2482
Octanoic acid (caprylate)Caprylic acidME536426-C06423-143.1064
OxalosuccinateOxalosuccinic acidME536470-C05379-189.0064
PantetheinePantetheineME536414-C00831-277.1249
PantothenolPantothenolME536412-C00864-218.1026
PhosphatePhosphoric acidME536372-C00009-96.9681
PhosphoenolpyruvatePhosphoenolpyruvic acidME536380-C00074-166.9740
Prostaglandin A2PGA2ME536450-C05953-333.2095
Prostaglandin B2PGB2ME536451-C05954-333.2096
Prostaglandin D2/Thromboxane A2 (isobars)-ME536452-C00696-351.2201
Prostaglandin D3 (isobars)PGD3ME536455-C13802-349.2047
Prostaglandin E2PGE2ME536453-C00584-351.2206
Prostaglandin F2alpha/beta/D1 (isobars)-ME536454-C00639-353.2303
Prostaglandin G2PGG2ME536456-C05956-367.2138
PyruvatePyruvic acidME536381-C00022-87.0072
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME536404-C00021-383.1155
Sedoheptulose 1-phosphateSedoheptulose 1-phosphateME536393-C06222-289.0348
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME536399-C05526-425.0801
Sphinganine 1-phosphateSphinganine 1-phosphateME536423-C01120-380.2545
Stearidonic acidStearidonic acidME536460-C16300-275.2013
SuccinateSuccinic acidME536387-C00042-117.0178
Tetradecanoic acidMyristic acidME536430-C06424-227.2009
Tetradecenoic acidTetradecenoic acidME536433-C08322-225.1854
Thromboxane B2TXB2ME536457-C05963-369.2279
trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME536411-C01157-130.0497
trans-9-Octadecenoic acidElaidic acidME536461-C01712-281.2481
UDPUDPME536361-C00015-402.9960
UDP-glucoseUDP-glucoseME536370-C00029-565.0464
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME536407-C00043-606.0742
UMPUMPME536362-C00105-323.0281
Undecanoic acidUndecylic acidME536459-C17715-185.1538
UracilUracilME536363-C00106-111.0185
UTPUTPME536360-C00075-482.9577
VanillateVanillic acidME536467-C06672-167.0353
XanthineXanthineME536367-C00385-151.0249


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
10-FormyltetrahydrofolateN10-Formyl-THFME536508-C00234-474.1820
2-Methyleneglutarate-ME536557-C02930-145.0493
2-Oxo-7-methylthioheptanoic acid2-Oxo-7-methylthioheptanoic acidME536566-C17220-191.0761
2-OxoadipateOxoadipic acidME536531-C00322-161.0447
3',5'-Cyclic AMP3',5' cyclic AMPME536495-C00575-330.0615
3-Methyleneoxindole3-MethyleneoxindoleME536526-C02796-146.0598
3-Oxalomalate3-Oxalomalic acidME536559-C01990-207.0168
4-Pyridoxate4-Pyridoxic acidME536496-C00847-184.0578
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME536525-C05635-192.0654
6-Hydroxykynurenic acid6-Hydroxykynurenic acidME536529-C08480-206.0475
6-Lactoyl-5-6-7-8-tetrahydropterin6-LactoyltetrahydropterinME536558-C04244-240.1066
Acetyl phosphateAcetylphosphateME536555-C00227-140.9952
acyl-C4-DCCAR DC4:0ME536539-HMDB13133-262.1300
acyl-C4-OHCAR 4:0;OHME536538-HMDB13127-248.1497
acyl-C5:1CAR 5:1ME536540-HMDB02366-244.1537
acyl-C5-OHCAR 5:0;OHME536541-ac107-262.1641
AdenosineAdenosineME536492-C00212-268.1032
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME536516-C06156-260.0512
CadaverineCadaverineME536511-C01672-103.1232
CholineCholineME536536-C00114-105.1134
cis-p-Coumarate-ME536560-C06738-165.0542
CMPCMPME536493-C00055-324.0577
CreatineCreatineME536519-C00300-132.0766
CreatinineCreatinineME536520-C00791-114.0664
Cys-GlyCys-GlyME536500-C01419-179.0480
D-Glucono-1-5-lactone 6-phosphate6-Phosphonoglucono-D-lactoneME536499-C01236-259.0204
D-GlucosamineGlucosamineME536517-C00329-180.0876
FolateFolic acidME536507-C00504-442.1461
gamma-Glutamyl-gamma-aminobutyrate4-(Glutamylamino) butanoateME536504-C15767-233.1137
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME536502-C05695-313.0309
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME536503-C03738-219.0979
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME536501-C00669-251.0687
gamma-L-Glutamylputrescinegamma-GlutamylputrescineME536505-C15699-218.1493
Glycerol 3-phosphatesn-Glycero-3-phosphateME536534-C00093-173.0219
glycineGlycineME536479-C00037-76.0400
Hexadecenoyl-carnitineCAR 16:0ME536551-HMDB06317-398.3253
hexanoyl-L-carnitineCAR 6:0ME536542-HMDB00756-260.1848
HypoxanthineHypoxanthineME536494-C00262-137.0456
IndoleIndoleME536527-C00463-118.0652
Indole-3-acetateIndoleacetic acidME536528-C00954-176.0715
kynurenineKynurenineME536530-C00328-209.0924
L-AdrenalineEpinephrineME536532-C00788-184.0962
L-alanineAlanineME536472-C00041-90.0554
L-arginineArginineME536473-C00062-175.1185
L-asparagineAsparagineME536474-C00152-133.0603
L-aspartateAspartic acidME536475-C00049-134.0446
L-CarnitineCarnitineME536537-C00318-162.1121
L-CitrullineCitrullineME536510-C00327-176.1042
L-cysteineCysteineME536476-C00097-122.0271
L-cystineCystineME536491-C00491-241.0296
L-glutamateGlutamic acidME536477-C00025-148.0602
L-glutamineGlutamineME536478-C00064-147.0761
L-histidineHistidineME536480-C00135-156.0765
L-leucineLeucineME536481-C00123-132.1017
L-lysineLysineME536482-C00047-147.1125
L-methionineMethionineME536483-C00073-150.0581
L-NoradrenalineNorepinephrineME536565-C00547-170.0807
L-octanoylcarnitineCAR 8:0ME536543-HMDB00791-288.2159
L-phenylalaninePhenylalanineME536484-C00079-166.0858
L-prolineProlineME536485-C00148-116.0707
L-serineSerineME536486-C00065-106.0501
L-threonineThreonineME536487-C00188-120.0656
L-tryptophanTryptophanME536488-C00078-205.0967
L-tyrosineTyrosineME536489-C00082-182.0801
L-valineValineME536490-C00183-118.0863
N5-Methyl-L-glutamineN(5)-Methyl-glutamineME536556-C03153-161.0926
N6-Methyl-L-lysineN(6)-MethyllysineME536561-C02728-161.1285
N-Acetyl-L-citrullineN-AcetylcitrullineME536521-C15532-218.1130
N-AcetylneuraminateN-Acetylneuraminic acidME536515-C00270-310.1118
N-AcetylornithineN-AcetylornithineME536522-C00437-175.1086
NAD+NAD+ME536498-C00003-665.1177
N-Amidino-L-aspartateGuanidinosuccinic acidME536564-C03139-176.0655
NicotinamideNiacinamideME536497-C00153-123.0552
Nicotinic acidNicotinic acidME536554-C00253-124.0396
N-Succinyl-L-citrullineN(2)-Succinyl-citrullineME536523-C18048-276.1181
Octadecanoyl-L-carnitineCAR 18:0ME536552-HMDB00848-428.3719
octenoyl-l-carnitineCAR 8:1ME536544-ac111-286.2002
O-Decanoyl-L-carnitineCAR 10:0ME536545-HMDB00651-316.2472
O-Decenoyl-L-carnitineCAR 10:1ME536546-CID57357170-314.2372
O-dodecanoyl-carnitineCAR 12:0ME536547-HMDB02250-344.2784
O-dodecenoyl-carnitineCAR 12:1ME536548-HMDB13326-342.2628
O-octadecenoyl-L-carnitine-ME536553-HMDB06351-426.3560
OrnithineOrnithineME536509-C01602-133.0978
O-tetradecanoyl-L-carnitineCAR 14:0ME536549-HMDB05066-372.3090
PhosphocreatinePhosphocreatineME536518-C02305-212.0419
PhosphoserinePhosphoserineME536506-C02532-186.0172
PutrescinePutrescineME536512-C00134-89.1078
PyridoxaminePyridoxamineME536563-C00534-169.0947
RiboflavinRiboflavinME536562-C00255-377.1443
SerotoninSerotoninME536533-C00780-177.1020
SpermidineSpermidineME536513-C00315-146.1649
SpermineSpermineME536514-C00750-203.2226
Sphingosine 1-phosphateSphingosine 1-phosphateME536535-C06124-380.2587
TaurineTaurineME536524-C00245-126.0217
Tetradecenoyl CarnitineCAR 14:1ME536550-HMDB13329-370.2934


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