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Return to study ST001999 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Cadaverine
Cadaverine
ME461320
-
C01672
-
103.1233
Choline
Choline
ME461334
-
C00114
-
104.1074
L-serine
Serine
ME461303
-
C00065
-
106.0502
Cytosine
Cytosine
ME461310
-
C00380
-
112.0508
Creatinine
Creatinine
ME461326
-
C00791
-
114.0664
L-proline
Proline
ME461302
-
C00148
-
116.0708
Indole
Indole
ME461330
-
C00463
-
118.0653
L-valine
Valine
ME461307
-
C00183
-
118.0864
L-threonine
Threonine
ME461304
-
C00188
-
120.0657
L-cysteine
Cysteine
ME461294
-
C00097
-
122.0272
Nicotinamide
Niacinamide
ME461314
-
C00153
-
123.0554
Taurine
Taurine
ME461328
-
C00245
-
126.0220
Thymine
Thymine
ME461315
-
C00178
-
127.0503
Creatine
Creatine
ME461325
-
C00300
-
132.0767
L-leucine
Leucine
ME461298
-
C00123
-
132.1019
L-asparagine
Asparagine
ME461292
-
C00152
-
133.0607
Methylenediurea
Methylenediurea
ME461341
-
C06381
-
133.0735
Ornithine
Ornithine
ME461318
-
C01602
-
133.0971
L-aspartate
Aspartic acid
ME461293
-
C00049
-
134.0448
Hypoxanthine
Hypoxanthine
ME461312
-
C00262
-
137.0457
Acetylcholine
Acetylcholine
ME461333
-
C01996
-
146.1174
Spermidine
Spermidine
ME461321
-
C00315
-
146.1650
L-glutamine
Glutamine
ME461296
-
C00064
-
147.0763
L-lysine
Lysine
ME461299
-
C00047
-
147.1126
L-glutamate
Glutamic acid
ME461295
-
C00025
-
148.0603
L-methionine
Methionine
ME461300
-
C00073
-
150.0583
L-histidine
Histidine
ME461297
-
C00135
-
156.0766
L-Carnitine
Carnitine
ME461335
-
C00318
-
162.1123
2-Deoxy-alpha-D-glucoside
-
ME461342
-
C03573
-
164.0679
L-Methionine S-oxide
Methionine sulfoxide
ME461329
-
C02989
-
166.0531
L-phenylalanine
Phenylalanine
ME461301
-
C00079
-
166.0861
Urate
Uric acid
ME461313
-
C00366
-
169.0354
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME461344
-
C16322
-
173.1170
N-Acetylornithine
N-Acetylornithine
ME461327
-
C00437
-
175.1075
L-arginine
Arginine
ME461291
-
C00062
-
175.1188
Indole-3-acetate
Indoleacetic acid
ME461331
-
C00954
-
176.0703
L-Citrulline
Citrulline
ME461319
-
C00327
-
176.1027
D-Glucosamine
Glucosamine
ME461324
-
C00329
-
180.0864
L-tyrosine
Tyrosine
ME461306
-
C00082
-
182.0797
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME461345
-
C17220
-
191.0760
Spermine
Spermine
ME461322
-
C00750
-
203.2227
acetyl-carnitine (acyl-C2)
CAR 2:0
ME461336
-
C02571
-
204.1227
N-Acyl-D-mannosaminolactone
-
ME461343
-
C03792
-
205.0564
L-tryptophan
Tryptophan
ME461305
-
C00078
-
205.0969
propionyl-carnitine (acyl-C3)
CAR 3:0
ME461337
-
C03017
-
218.1383
butanoyl-l-carnitine (acyl-C4)
CAR 4:0
ME461338
-
C02862
-
232.1538
acyl-C4-OH (Hydroxybutyrylcarnitine)
CAR 4:0;OH
ME461339
-
HMDB13127
-
248.1486
Adenosine
Adenosine
ME461309
-
C00212
-
268.1031
Sphingosine
Sphingosine
ME461332
-
C00319
-
300.2889
Glutathione
Glutathione
ME461316
-
C00051
-
308.0902
AMP
AMP
ME461308
-
C00020
-
348.0693
IMP
IMP
ME461311
-
C00130
-
349.0533
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME461317
-
C00019
-
399.1433
Propionic/Propanoic acid
Propionic acid
ME461340
-
C00163
-
75.0448
Putrescine
Putrescine
ME461323
-
C00134
-
89.1079
L-alanine
Alanine
ME461290
-
C00041
-
90.0555
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Catechol
Pyrocatechol
ME461414
-
C00090
-
109.0281
Fumarate
Fumaric acid
ME461373
-
C00122
-
115.0032
Hexanoic acid (caproate)
Caproic acid
ME461383
-
C01585
-
115.0750
Succinate
Succinic acid
ME461372
-
C00042
-
117.0178
5-Oxoproline
Pyroglutamic acid
ME461376
-
C01879
-
128.0339
Itaconate
Itaconic acid
ME461375
-
C00490
-
129.0180
Heptanoic acid
Heptylic acid
ME461384
-
C17714
-
129.0907
Malate
Malic acid
ME461374
-
C00149
-
133.0130
Adenine
Adenine
ME461348
-
C00147
-
134.0460
Ethanolamine phosphate
Phosphoethanolamine
ME461382
-
C00346
-
140.0105
2-Methyleneglutarate
-
ME461411
-
C02930
-
143.0336
Octanoic acid (caprylic acid)
Caprylic acid
ME461385
-
C06423
-
143.1064
2-Oxoglutarate
2-Oxoglutaric acid
ME461371
-
C00026
-
145.0131
D-Ribose
Ribose
ME461369
-
C00121
-
149.0446
Xanthine
Xanthine
ME461356
-
C00385
-
151.0250
Nonanoic acid (pelargonic acid)
Pelargonic acid
ME461386
-
C01601
-
157.1221
3D-(3-5/4)-Trihydroxycyclohexane-1-2-dione
-
ME461380
-
C04287
-
159.0288
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME461363
-
C00118
-
168.9895
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME461381
-
C00093
-
171.0052
Decanoic acid (capric acid)
Capric acid
ME461387
-
C01571
-
171.1379
Ascorbate
Vitamin C
ME461377
-
C00072
-
175.0240
Diphosphate
Pyrophosphate
ME461359
-
C00013
-
176.9348
D-glucono-1,5-lactone
Gluconolactone
ME461413
-
C00198
-
177.0396
D-Glucose
Glucose
ME461360
-
C00031
-
179.0552
Mannitol
Mannitol
ME461368
-
C00392
-
181.0708
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME461364
-
C00631
-
184.9846
Citrate
Citric acid
ME461370
-
C00158
-
191.0186
Dodecanoic acid (lauric acid)
Lauric acid
ME461388
-
C02679
-
199.1693
Phosphocreatine
Phosphocreatine
ME461379
-
C02305
-
210.0277
Pentobarbital
Pentobarbital
ME461410
-
C07422
-
225.1236
Tetradecenoic acid (myristoleic acid)
Myristoleic acid
ME461392
-
C08322
-
225.1852
Tetradecanoic acid (myristic acid)
Myristic acid
ME461389
-
C06424
-
227.2008
D-Ribitol 5-phosphate
D-Ribitol 5-phosphate
ME461416
-
C01068
-
231.0273
6-Pyruvoyltetrahydropterin
-
ME461412
-
C03684
-
236.0781
Cytidine
Cytidine
ME461351
-
C00475
-
242.0782
Hexadecenoic acid (Palmitoleic acid)
Palmitoleic acid
ME461393
-
C08362
-
253.2168
Hexadecanoic acid (palmitic acid)
Palmitic acid
ME461390
-
C00249
-
255.2324
D-Glucose 6-phosphate
Glucose 6-phosphate
ME461361
-
C02965
-
259.0217
Inosine
Inosine
ME461355
-
C00294
-
267.0724
a-Linolenic acid (Octadecatrienoic acid)
Octadecatrienoic acid
ME461396
-
C06427
-
277.2168
Linoleic acid ((9Z,12Z)-Octadecadienoic acid)
Linoleic acid
ME461395
-
C01595
-
279.2325
Octadecenoic acid (Oleic acid)
Oleic acid
ME461394
-
C00712
-
281.2481
Octadecanoic acid (stearic acid)
Stearic acid
ME461391
-
C01530
-
283.2638
Catechin
Catechin
ME461415
-
C17590
-
289.0675
Arachidonic acid (Eicosatetraenoic acid)
Eicosatetraenoic acid
ME461397
-
C00219
-
303.2325
Dihomo-gamma-linolenic acid ((8Z-11Z-14Z)-Icosatri...
Dihomo-gamma-linolenic acid
ME461399
-
C03242
-
305.2482
Glucosinolate
-
ME461417
-
C17260
-
316.9843
3',5'-Cyclic IMP
3',5' cyclic IMP
ME461357
-
C00943
-
329.0299
Docosapentaenoic acid ((7Z-10Z-13Z-16Z-19Z)-Docosa...
DPA
ME461400
-
C16513
-
329.2482
Adrenic acid (7,10,13,16-Docosatetraenoic acid)
Adrenic acid
ME461398
-
C16527
-
331.2639
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME461362
-
C00354
-
338.9883
Maltose
Maltose
ME461367
-
C00208
-
341.1086
Prostaglandin D3 (isobars)
PGD3
ME461407
-
C13802
-
349.2040
Prostaglandin D2/Thromboxane A2 (isobars)
-
ME461406
-
C00696
-
351.2201
Prostaglandin G2
PGG2
ME461408
-
C05956
-
367.2140
UDP
UDP
ME461353
-
C00015
-
402.9943
Cholate
Cholic acid
ME461401
-
C00695
-
407.2815
ADP
ADP
ME461347
-
C00008
-
426.0217
IDP
IDP
ME461354
-
C00104
-
427.0068
GDP
GDP
ME461350
-
C00035
-
442.0164
Glycochenodeoxycholate
Glycochenodeoxycholic acid
ME461402
-
C05466
-
448.3064
Glycocholate
Glycocholic acid
ME461403
-
C01921
-
464.3009
Cholesterol sulfate
Cholesterol sulfate
ME461409
-
C18043
-
465.3054
UTP
UTP
ME461352
-
C00075
-
482.9605
Taurodeoxycholate
Taurodeoxycholic acid
ME461404
-
C05463
-
498.2890
ATP
ATP
ME461346
-
C00002
-
505.9875
Taurocholate
Taurocholic acid
ME461405
-
C05122
-
514.2836
GTP
GTP
ME461349
-
C00044
-
521.9828
UDP-glucose
UDP-glucose
ME461358
-
C00029
-
565.0470
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME461378
-
C00043
-
606.0737
Pyruvate
Pyruvic acid
ME461365
-
C00022
-
87.0072
Lactate
Lactic acid
ME461366
-
C01432
-
89.0228
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