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Return to study ST000260 main page
Analysis: ESI LCMS positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
acetylcarnitine
CAR 2:0
ME702181
1
C02571
-
-
5-aminovalerate
5-Aminopentanoic acid
ME702178
138
C00431
-
-
acetylcholine
Acetylcholine
ME702182
187
C01996
-
-
betaine
Betaine
ME702187
247
C00719
-
-
carnitine
Carnitine
ME702190
288
C00318
-
-
choline
Choline
ME702191
305
C00114
-
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME702177
500
C01035
-
-
creatine
Creatine
ME702194
586
C00300
-
-
creatinine
Creatinine
ME702195
588
C00791
-
-
pipecolate
Pipecolic acid
ME702235
849
C00408
-
-
nicotinamide
Niacinamide
ME702230
936
C00153
-
-
pantothenate
Pantothenic acid
ME702233
988
C00864
-
-
pyridoxal
Pyridoxal
ME702238
1050
C00250
-
-
spermidine
Spermidine
ME702241
1102
C00315
-
-
xanthine
Xanthine
ME702247
1188
C00385
-
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME702179
1826
C05635
-
-
methyl-beta-glucopyranoside
-
ME702222
2108
-
-
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME702223
5255
C12270
-
-
glutamine
Glutamine
ME702206
5961
C00064
-
-
lysine
Lysine
ME702220
5962
C00047
-
-
tyrosine
Tyrosine
ME702245
6057
C00082
-
-
adenosine 5'-monophosphate (AMP)
AMP
ME702184
6083
C00020
-
-
leucine
Leucine
ME702219
6106
C00123
-
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME702198
6131
C00055
-
-
methionine
Methionine
ME702221
6137
C00073
-
-
phenylalanine
Phenylalanine
ME702234
6140
C00079
-
-
cytidine
Cytidine
ME702197
6175
C00475
-
-
valine
Valine
ME702246
6287
C00183
-
-
threonine
Threonine
ME702243
6288
C00188
-
-
tryptophan
Tryptophan
ME702244
6305
C00078
-
-
isoleucine
Isoleucine
ME702217
6306
C00407
-
-
arginine
Arginine
ME702185
6322
C00062
-
-
guanosine
Guanosine
ME702212
6802
C00387
-
-
guanosine 5'- monophosphate (5'-GMP)
GMP
ME702213
6804
C00144
-
-
citrulline
Citrulline
ME702193
9750
C00327
-
-
N-acetylglutamine
N-Acetylglutamine
ME702226
25561
C02716
-
-
N1-methyladenosine
1-Methyladenosine
ME702229
27476
C02494
-
-
glutamate
Glutamic acid
ME702204
33032
C00025
-
-
adenosine
Adenosine
ME702183
60961
C00212
-
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME702224
65065
C01042
-
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME702208
65359
C00127
-
-
glutamate, gamma-methyl ester
Glutamic acid, gamma-methyl ester
ME702205
68662
-
-
-
N-acetylglutamate
N-Acetylglutamic acid
ME702225
70914
C00624
-
-
1-methylimidazoleacetate
Methylimidazoleacetic acid
ME702167
75810
C05828
-
-
glycylleucine
Gly-Leu
ME702211
92843
C02155
-
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME702201
92865
C05282
-
-
cytidine-5'-diphosphoethanolamine
CDP-Ethanolamine
ME702199
123727
C00570
-
-
glutathione, reduced (GSH)
Glutathione
ME702209
124886
C00051
-
-
pyroglutamine*
Pyroglutamine
ME702239
134508
-
-
-
choline phosphate
Choline phosphate
ME702192
135437
C00588
-
-
proline
Proline
ME702236
145742
C00148
-
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME702202
150914
C05283
-
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME702203
151023
-
-
-
propionylcarnitine
CAR 3:0
ME702237
188824
C03017
-
-
butyrylcarnitine
CAR 4:0
ME702188
213144
C02862
-
-
isobutyrylcarnitine
CAR 3:0;2Me
ME702216
213144
C02862
-
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME702180
439176
C00170
-
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME702227
439197
C00270
-
-
homostachydrine*
(S)-Homostachydrine
ME702214
441447
C08283
-
-
1-palmitoylglycerophosphocholine (16:0)
LPC 16:0
ME702169
460602
C04230
-
-
2-palmitoylglycerophosphocholine*
LPC 0:0/16:0
ME702175
460602
C04230
-
-
riboflavin (Vitamin B2)
Riboflavin
ME702240
493570
C00255
-
-
1-stearoylglycerophosphocholine (18:0)
LPC 18:0
ME702170
497299
-
-
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME702210
657272
C00670
-
-
ergothioneine
Ergothioneine
ME702200
3032311
C05570
-
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME702196
3080690
-
-
-
isovalerylcarnitine
CAR 4:0;3Me
ME702218
6426851
-
-
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME702173
6426901
-
-
-
3-dehydrocarnitine*
3-Dehydrocarnitine
ME702176
6991982
C02636
-
-
stachydrine
Stachydrine
ME702242
7016563
C10172
-
-
ophthalmate
Ophthalmic acid
ME702232
7018721
-
-
-
N-delta-acetylornithine*
N(5)-Acetyl-ornithine
ME702228
9920500
-
-
-
nicotinamide adenine dinucleotide (NAD+)
NAD
ME702231
10897651
C00003
-
-
1-oleoylglycerophosphocholine (18:1)
LPC 18:1
ME702168
16081932
-
-
-
hydroxybutyrylcarnitine*
CAR 4:0;OH
ME702215
53481617
-
-
-
glutarylcarnitine (C5)
CAR 5:0
ME702207
71464488
-
-
-
2-arachidonoylglycerophosphocholine*
LPC 20:4
ME702171
-
-
-
-
2-docosahexaenoylglycerophosphocholine*
LPC 22:6
ME702172
-
-
-
-
2-oleoylglycerophosphocholine*
LPC 18:1
ME702174
-
-
-
-
beta-hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME702186
-
-
-
-
C-glycosyltryptophan*
C-Glycosyltryptophan
ME702189
-
-
-
-
Analysis: ESI LCMS Negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
adenosine 5'diphosphoribose
ADP-ribose
ME702285
192
C00301
-
-
adenylosuccinate
Adenylsuccinic acid
ME702286
195
C03794
-
-
coenzyme A
Coenzyme A
ME702292
317
C00010
-
-
5-oxoproline
Pyroglutamic acid
ME702283
499
C01879
-
-
dihydroxyacetone phosphate (DHAP)
Dihydroxyacetone phosphate
ME702295
668
C00111
-
-
hypoxanthine
Hypoxanthine
ME702305
790
C00262
-
-
myo-inositol hexakisphosphate
Myo-inositol hexakisphosphate
ME702312
890
C01204
-
-
palmitate (16:0)
Palmitic acid
ME702318
985
C00249
-
-
phosphoethanolamine
Phosphoethanolamine
ME702322
1015
C00346
-
-
succinate
Succinic acid
ME702328
1110
C00042
-
-
palmitoyl ethanolamide
Palmitoyl-EA
ME702320
4671
C16512
-
-
stearate (18:0)
Stearic acid
ME702327
5281
C01530
-
-
sucrose
Sucrose
ME702329
5988
C00089
-
-
inosine
Inosine
ME702306
6021
C00294
-
-
uridine
Uridine
ME702332
6029
C00299
-
-
histidine
Histidine
ME702303
6274
C00135
-
-
taurocholate
Taurocholic acid
ME702331
6675
C05122
-
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME702280
9378
C03672
-
-
3-indoxyl sulfate
Indoxyl sulfate
ME702281
10258
-
-
-
margarate (17:0)
Margaric acid
ME702310
10465
-
-
-
pseudouridine
Pseudouridine
ME702325
15047
C02067
-
-
2-hydroxystearate
2-Hydroxystearic acid
ME702273
69417
C03045
-
-
phenol sulfate
Phenyl hydrogen sulfate
ME702321
74426
C02180
-
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME702272
92836
-
-
-
anserine
Anserine
ME702288
112072
C01262
-
-
N-stearoyltaurine
N-Stearoyl taurine
ME702316
168274
-
-
-
tauro(alpha + beta)muricholate
Tauromuricholic acid
ME702330
168408
-
-
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME702326
439155
C00021
-
-
carnosine
Carnosine
ME702291
439224
C00386
-
-
3'-dephosphocoenzyme A
3'-Dephospho-CoA
ME702279
444485
C00882
-
-
acetyl CoA
Acetyl-CoA
ME702284
444493
C00024
-
-
arachidonate (20:4n6)
Arachidonic acid
ME702289
444899
C00219
-
-
docosahexaenoate (DHA; 22:6n3)
LPC 22:6
ME702296
445580
C06429
-
-
palmitoleate (16:1n7)
Palmitoleic acid
ME702319
445638
C08362
-
-
eicosapentaenoate (EPA; 20:5n3)
Eicosapentaenoic acid
ME702299
446284
C06428
-
-
prostaglandin D2
PGD2
ME702323
448457
C00696
-
-
N-acetylmethionine
N-Acetylmethionine
ME702313
448580
C02712
-
-
flavin adenine dinucleotide (FAD)
FAD
ME702301
643975
C00016
-
-
1-palmitoylglycerophosphoglycerol*
LPG 16:0
ME702259
3300276
-
-
-
prostaglandin E2
PGE2
ME702324
5280360
C00584
-
-
linoleate (18:2n6)
Linoleic acid
ME702308
5280450
C01595
-
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME702294
5280581
C03242
-
-
15-HETE
15-HETE
ME702268
5280724
C04742
-
-
5-HETE
5-HETE
ME702282
5280733
C04805
-
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME702309
5280934
C06427
-
-
eicosenoate (20:1n9 or 11)
cis-Gondoic acid
ME702300
5282768
C16526
-
-
oleic ethanolamide
Oleoyl-EA
ME702317
5283454
-
-
-
beta-muricholate
beta-Muricholic acid
ME702290
5283853
C17726
-
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME702266
5312435
-
-
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME702267
5312513
-
-
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME702311
5312531
-
-
-
adrenate (22:4n6)
Adrenic acid
ME702287
5497181
C16527
-
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME702297
5497182
C16513
-
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME702298
5497182
C16513
-
-
N-oleoyltaurine
N-Oleoyl taurine
ME702314
6437033
-
-
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME702293
6439848
C16525
-
-
1-stearoylglycerophosphoethanolamine
LPE 18:0/0:0
ME702262
9547068
-
-
-
1-palmitoylglycerophosphoethanolamine
LPE 16:0
ME702258
9547069
-
-
-
1-oleoylglycerophosphoethanolamine
LPE 18:1
ME702253
9547071
-
-
-
1-oleoylglycerophosphoserine
LPS 18:1/0:0
ME702256
9547099
-
-
-
1-stearoylglycerophosphoserine*
LPS 18:0
ME702264
9547101
-
-
-
homocarnosine
Homocarnosine
ME702304
10243361
C00884
-
-
N-palmitoyltaurine
N-Palmitoyl taurine
ME702315
14504290
-
-
-
1-arachidonoylglycerophosphoethanolamine*
LPE 20:4
ME702249
42607465
-
-
-
1-palmitoylplasmenylethanolamine*
LPE P-16:0 or LPE O-16:1
ME702261
42607469
-
-
-
1-arachidonoylglycerophosphocholine (20:4n6)*
LPC 20:4
ME702248
-
C05208
-
-
1-arachidonoylglycerophosphoinositol*
LPI 20:4
ME702250
-
-
-
-
1-docosahexaenoylglycerol (1-monodocosahexaenoin)
MG 22:6
ME702251
-
-
-
-
1-docosahexaenoylglycerophosphoethanolamine*
LPE 22:6
ME702252
-
-
-
-
1-oleoylglycerophosphoglycerol*
LPG 18:1
ME702254
-
-
-
-
1-oleoylglycerophosphoinositol*
LPI 18:1
ME702255
-
-
-
-
1-oleoylplasmenylethanolamine*
LPE P-18:1 or LPE O-18:2
ME702257
-
-
-
-
1-palmitoylglycerophosphoinositol*
LPI 16:0
ME702260
-
-
-
-
1-stearoylglycerophosphoinositol
LPI 18:0/0:0
ME702263
-
-
-
-
1-stearoylplasmenylethanolamine*
LPE P-18:0 or LPE O-18:1
ME702265
-
-
-
-
2-arachidonoylglycerophosphoethanolamine*
LPE 20:4
ME702269
-
-
-
-
2-arachidonoylglycerophosphoinositol*
LPI 20:4
ME702270
-
-
-
-
2-docosahexaenoylglycerophosphoethanolamine*
LPE 22:6
ME702271
-
-
-
-
2-oleoylglycerophosphoethanolamine*
LPE 18:1
ME702274
-
-
-
-
2-oleoylglycerophosphoglycerol*
-
ME702275
-
-
-
-
2-oleoylglycerophosphoserine*
-
ME702276
-
-
-
-
2-palmitoylglycerophosphoethanolamine*
LPE 16:0
ME702277
-
-
-
-
2-stearoylglycerophosphoinositol*
LPI 18:0
ME702278
-
-
-
-
guanosine 5'-diphospho-fucose
-
ME702302
-
-
-
-
Isobar: fructose 1,6-diphosphate, glucose 1,6-diph...
-
ME702307
-
-
-
-
Analysis: ESI GCMS positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME702337
43
C02630
-
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME702349
51
C00026
-
-
gamma-aminobutyrate (GABA)
gamma-Aminobutyric acid
ME702371
119
C00334
-
-
adenine
Adenine
ME702346
190
C00147
-
-
beta-alanine
beta-Alanine
ME702354
239
C00099
-
-
benzoate
Benzoic acid
ME702353
243
C00180
-
-
citrate
Citric acid
ME702358
311
C00158
-
-
sorbitol
Sorbitol
ME702399
453
C00794
-
-
2-aminoadipate
alpha-Aminoadipic acid
ME702336
469
C00956
-
-
cysteine
Cysteine
ME702360
594
C00097
-
-
5,6-dihydrouracil
Dihydrouracil
ME702343
649
C00429
-
-
dopamine
Dopamine
ME702364
681
C03758
-
-
ethanolamine
Ethanolamine
ME702367
700
C00189
-
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME702340
724
C00597
-
-
glycine
Glycine
ME702378
750
C00037
-
-
glycerol
Glycerol
ME702374
753
C00116
-
-
myo-inositol
Myo-inositol
ME702387
892
C00137
-
-
scyllo-inositol
Myo-inositol
ME702397
892
C06153
-
-
phosphate
Phosphoric acid
ME702391
1004
C00009
-
-
putrescine
Putrescine
ME702392
1045
C00134
-
-
sarcosine (N-Methylglycine)
Sarcosine
ME702396
1088
C00213
-
-
taurine
Taurine
ME702402
1123
C00245
-
-
uracil
Uracil
ME702405
1174
C00106
-
-
urea
Urea
ME702406
1176
C00086
-
-
glycerol 2-phosphate
sn-Glycero-2-phosphate
ME702375
2526
C02979
-
-
ribose
Ribose
ME702394
5779
C00121
-
-
glucose
Glucose
ME702372
5793
C00031
-
-
alanine
Alanine
ME702347
5950
C00041
-
-
serine
Serine
ME702398
5951
C00065
-
-
glucose-6-phosphate (G6P)
Glucose 6-phosphate
ME702373
5958
C00668
-
-
aspartate
Aspartic acid
ME702352
5960
C00049
-
-
fructose
Fructose
ME702368
5984
C00095
-
-
cholesterol
Cholesterol
ME702356
5997
C00187
-
-
mannitol
Mannitol
ME702386
6251
C00392
-
-
ornithine
Ornithine
ME702389
6262
C00077
-
-
galactitol (dulcitol)
Galactitol
ME702370
11850
C01697
-
-
2-pyrrolidinone
2-Pyrrolidinone
ME702338
12025
C11118
-
-
homoserine
Homoserine
ME702379
12647
C00263
-
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME702342
18189
C02946
-
-
stearamide
Stearamide
ME702400
31292
C13846
-
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME702334
64960
C07326
-
-
lathosterol
Lathosterol
ME702384
65728
C01189
-
-
arabinose
Arabinose
ME702350
66308
C00216
-
-
3-phosphoserine
Phosphoserine
ME702341
68841
C01005
-
-
allo-threonine
Allothreonine
ME702348
99289
C05519
-
-
1,2-dipalmitoylglycerol
DG 16:0_16:0
ME702333
99931
-
-
-
lactate
Lactic acid
ME702383
107689
C00186
-
-
7-alpha-hydroxycholesterol
7alpha-Hydroxy-cholesterol
ME702344
107722
C03594
-
-
24(S)-hydroxycholesterol
24S-Hydroxycholesterol
ME702339
121948
C13550
-
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME702377
123874
C01233
-
-
dehydroascorbate
L-Dehydroascorbic acid
ME702362
210328
C05422
-
-
erythritol
Erythritol
ME702365
222285
C00503
-
-
malate
Malic acid
ME702385
222656
C00149
-
-
glycerol 3-phosphate (G3P)
sn-Glycero-3-phosphate
ME702376
439162
C00093
-
-
cystathionine
Cystathionine
ME702359
439258
C02291
-
-
cysteinylglycine
Cys-Gly
ME702361
439498
C01419
-
-
desmosterol
Desmosterol
ME702363
439577
C01802
-
-
inositol 4-phosphate
Inositol 4-phosphate
ME702381
440043
C03546
-
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME702380
440194
C04006
-
-
fumarate
Fumaric acid
ME702369
444972
C00122
-
-
oleate (18:1n9)
Oleic acid
ME702388
445639
C00712
-
-
ribose 5-phosphate
Ribose 5-phosphate
ME702395
447634
C00117
-
-
7-beta-hydroxycholesterol
7beta-Hydroxycholesterol
ME702345
473141
-
-
-
pyrophosphate (PPi)
Pyrophosphate
ME702393
644102
C00013
-
-
erythronate*
Erythronic acid
ME702366
2781043
-
-
-
1-palmitoylglycerol (1-monopalmitin)
MG 16:0/0:0/0:0
ME702335
3084463
-
-
-
cis-vaccenate (18:1n7)
cis-Vaccenic acid
ME702357
5282761
C08367
-
-
stearoyl sphingomyelin
SM 18:1;O2/18:0
ME702401
6453725
C00550
-
-
UDP-galactose
UDP-galactose
ME702404
6857410
C00052
-
-
palmitoyl sphingomyelin
SM 18:1;O2/16:0
ME702390
9939941
-
-
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME702403
11137200
C01157
-
-
ascorbate (Vitamin C)
Vitamin C
ME702351
54670067
C00072
-
-
chiro-inositol
1D-chiro-Inositol
ME702355
-
-
-
-
Isobar: pentulose 5-phosphates
Ribulose 5-phosphate
ME702382
-
C00199
-
-
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