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Return to study ST002213 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Uracil
Uracil
ME536149
-
C00106
-
111.0186
5-6-Dihydrouracil
Dihydrouracil
ME536200
-
C00429
-
113.0342
Fumarate
Fumaric acid
ME536177
-
C00122
-
115.0022
Hexanoic acid (caproate)
Caproic acid
ME536214
-
C01585
-
115.0750
Indole
Indole
ME536205
-
C00463
-
116.0506
Succinate
Succinic acid
ME536176
-
C00042
-
117.0178
Taurine
Taurine
ME536203
-
C00245
-
124.0059
5-6-Dihydrothymine
Dihydrothymine
ME536155
-
C00906
-
127.0499
5-Oxoproline
Pyroglutamic acid
ME536185
-
C01879
-
128.0340
Heptanoic acid
Heptylic acid
ME536215
-
C17714
-
129.0908
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME536198
-
C01157
-
130.0496
Ornithine
Ornithine
ME536192
-
C01602
-
131.0818
Indoxyl
Indoxyl
ME536208
-
C05658
-
132.0482
Malate
Malic acid
ME536178
-
C00149
-
133.0128
Adenine
Adenine
ME536140
-
C00147
-
134.0459
Hypoxanthine
Hypoxanthine
ME536153
-
C00262
-
135.0294
Ethanolamine phosphate
Phosphoethanolamine
ME536210
-
C00346
-
140.0105
Octanoic acid (caprylate)
Caprylic acid
ME536216
-
C06423
-
143.1064
3-Methyleneoxindole
3-Methyleneoxindole
ME536204
-
C02796
-
144.0443
2-Oxoglutarate
2-Oxoglutaric acid
ME536175
-
C00026
-
145.0129
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME536179
-
C02630
-
147.0282
D-Ribose
Ribose
ME536173
-
C00121
-
149.0455
Guanine
Guanine
ME536143
-
C00242
-
150.0410
Nonanoic acid (pelargonate)
Pelargonic acid
ME536217
-
C01601
-
157.1221
Indole-3-acetaldehyde
Indoleacetaldehyde
ME536206
-
C00637
-
158.0600
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME536167
-
C00074
-
166.9740
3-Phosphonopyruvate
-
ME536191
-
C02798
-
166.9748
Glycerone sulfate
Glycerone sulfate
ME536259
-
C02543
-
168.9801
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME536164
-
C00118
-
168.9883
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME536209
-
C00093
-
171.0054
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME536258
-
C16322
-
171.1016
Decanoic acid (caprate)
Capric acid
ME536218
-
C01571
-
171.1380
Dehydroascorbate
L-Dehydroascorbic acid
ME536188
-
C05422
-
173.0079
L-Citrulline
Citrulline
ME536193
-
C00327
-
174.0874
Ascorbate
Vitamin C
ME536187
-
C00072
-
175.0237
Diphosphate
Pyrophosphate
ME536160
-
C00013
-
176.9348
Cys-Gly
Cys-Gly
ME536186
-
C01419
-
177.0330
D-Glucose
Glucose
ME536161
-
C00031
-
179.0551
Mannitol
Mannitol
ME536172
-
C00392
-
181.0694
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME536166
-
C00631
-
184.9845
Undecanoic acid
Undecylic acid
ME536250
-
C17715
-
185.1538
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME536261
-
C02774
-
187.1330
Oxalosuccinate
Oxalosuccinic acid
ME536262
-
C05379
-
189.0064
N-Carbamyl-L-glutamate
Carglumic acid
ME536263
-
C05829
-
189.0477
N-Acetylmethionine
N-Acetylmethionine
ME536260
-
C02712
-
190.0523
Citrate
Citric acid
ME536174
-
C00158
-
191.0187
Dodecanoic acid
Lauric acid
ME536219
-
C02679
-
199.1694
Indolepyruvate
Indolepyruvate
ME536207
-
C00331
-
202.0476
Pantothenol
Pantothenol
ME536199
-
C00864
-
218.1027
Cystathionine
Cystathionine
ME536190
-
C00542
-
221.0600
Tetradecenoic acid
Tetradecenoic acid
ME536223
-
C08322
-
225.1855
Tetradecanoic acid
Myristic acid
ME536220
-
C06424
-
227.2010
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME536182
-
C00620
-
229.0112
Dodecanedioic acid
Dodecanedioic acid
ME536231
-
C02678
-
229.1442
Cytidine
Cytidine
ME536146
-
C00475
-
242.0785
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME536156
-
C00647
-
247.0438
Hexadecenoic acid
Hexadecenoic acid
ME536224
-
C08362
-
253.2168
Hexadecanoic acid
Palmitic acid
ME536221
-
C00249
-
255.2325
D-Glucose 6-phosphate
Glucose 6-phosphate
ME536162
-
C02965
-
259.0220
2-3-Bisphosphoglycerate
-
ME536165
-
C03339
-
264.9515
Inosine
Inosine
ME536152
-
C00294
-
267.0729
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME536189
-
C05283
-
274.1040
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME536180
-
C00345
-
275.0171
Stearidonic acid
Stearidonic acid
ME536251
-
C16300
-
275.2013
Pantetheine
Pantetheine
ME536201
-
C00831
-
277.1237
Octadecatrienoic acid
Octadecatrienoic acid
ME536227
-
C06427
-
277.2169
Linoleate
Linoleic acid
ME536226
-
C01595
-
279.2326
trans-9-Octadecenoic acid
Elaidic acid
ME536252
-
C01712
-
281.2481
Octadecenoic acid
Octadecenoic acid
ME536225
-
C00712
-
281.2482
Guanosine
Guanosine
ME536142
-
C00387
-
282.0840
Octadecanoic acid
Stearic acid
ME536222
-
C01530
-
283.2638
Sedoheptulose 1-phosphate
Sedoheptulose 1-phosphate
ME536181
-
C06222
-
289.0328
Catechin
Catechin
ME536254
-
C17590
-
289.0674
9(S)-HODE
9S-HODE
ME536240
-
C14767
-
295.2275
13(S)-HODE
13S-HODE
ME536239
-
C14762
-
295.2276
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid
EPA
ME536233
-
C06428
-
301.2171
Eicosapentaenoic acid
Eicosapentaenoic acid
ME536229
-
C06428
-
301.2171
Eicosatetraenoic acid
Eicosatetraenoic acid
ME536228
-
C00219
-
303.2326
(8Z-11Z-14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME536232
-
C03242
-
305.2483
Glutathione
Glutathione
ME536184
-
C00051
-
306.0761
N-Acetylneuraminate
N-Acetylneuraminic acid
ME536194
-
C00270
-
308.0981
alpha-N-Peptidyl-L-glutamine
-
ME536256
-
C03905
-
313.0983
Leukotriene A4
LTA4
ME536245
-
C00909
-
317.2155
Pregnanediol
Pregnanediol
ME536249
-
C05484
-
319.2638
CMP
CMP
ME536145
-
C00055
-
322.0439
UMP
UMP
ME536148
-
C00105
-
323.0282
Docosahexaenoic acid
Docosahexaenoic acid
ME536230
-
C06429
-
327.2328
3',5'-Cyclic IMP
3',5' cyclic IMP
ME536154
-
C00943
-
329.0299
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...
DPA
ME536234
-
C16513
-
329.2482
Docosatetraenoic acid
Docosatetraenoic acid
ME536253
-
C16527
-
331.2638
S-Acylglutathione
-
ME536257
-
C02589
-
333.0587
Prostaglandin A2
PGA2
ME536242
-
C05953
-
333.2102
11(R)-HPETE/Leukotriene B4 (isobars)
11-HpETE
ME536241
-
C14820
-
335.2202
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME536163
-
C00354
-
338.9882
Maltose
Maltose
ME536170
-
C00208
-
341.1085
AMP
AMP
ME536139
-
C00020
-
346.0552
IMP
IMP
ME536151
-
C00130
-
347.0460
Prostaglandin D2/Thromboxane A2 (isobars)
-
ME536243
-
C00696
-
351.2207
Prostaglandin E2
PGE2
ME536244
-
C00584
-
351.2207
Pantetheine 4--phosphate
Pantetheine 4'-phosphate
ME536202
-
C01134
-
357.0873
Cortisone
Cortisone
ME536248
-
C00762
-
359.1838
GMP
GMP
ME536141
-
C00144
-
362.0504
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME536212
-
C01120
-
380.2546
5-Phospho-alpha-D-ribose 1-diphosphate
Phosphoribosyl pyrophosphate
ME536183
-
C00119
-
388.9482
Fe(III)dicitrate
-
ME536255
-
C06229
-
389.0906
3alpha-12alpha-Dihydroxy-5beta-cholanate
Deoxycholic acid
ME536237
-
C04483
-
391.2880
CDP
CDP
ME536144
-
C00112
-
402.0056
UDP
UDP
ME536147
-
C00015
-
402.9944
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate
Cholic acid
ME536235
-
C00695
-
407.2831
ADP
ADP
ME536138
-
C00008
-
426.0216
IDP
IDP
ME536150
-
C00104
-
427.0066
Cholesterol sulfate
Cholesterol sulfate
ME536247
-
C18043
-
465.3058
CDP-choline
CDP-choline
ME536211
-
C00307
-
487.1007
Maltotriose
Maltotriose
ME536171
-
C01835
-
503.1622
ATP
ATP
ME536137
-
C00002
-
505.9876
Sulfoglycolithocholate
Sulfoglycolithocholic acid
ME536238
-
C11301
-
511.2666
Taurocholate
Taurocholic acid
ME536236
-
C05122
-
514.2783
ADP-D-ribose
ADP-ribose
ME536158
-
C01882
-
558.0637
UDP-glucose
UDP-glucose
ME536157
-
C00029
-
565.0469
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME536195
-
C00043
-
606.0737
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME536196
-
C00128
-
613.1395
Leukotriene C4
LTC4
ME536246
-
C02166
-
624.2976
Glycolate
Glycolic acid
ME536197
-
C00160
-
75.0072
Pyruvate
Pyruvic acid
ME536168
-
C00022
-
87.0073
Butanoic acid
Butyric acid
ME536213
-
C00246
-
87.0436
Lactate
Lactic acid
ME536169
-
C01432
-
89.0229
Phosphate
Phosphoric acid
ME536159
-
C00009
-
96.9681
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
ME536301
-
C01672
-
103.1232
Dimethylglycine
Dimethylglycine
ME536298
-
C01026
-
104.0708
L-serine
Serine
ME536278
-
C00065
-
106.0501
Cytosine
Cytosine
ME536285
-
C00380
-
112.0506
Creatinine
Creatinine
ME536308
-
C00791
-
114.0663
L-proline
Proline
ME536277
-
C00148
-
116.0707
Guanidinoacetate
Guanidoacetic acid
ME536311
-
C00581
-
118.0612
5-Aminopentanoate
5-Aminopentanoic acid
ME536312
-
C00431
-
118.0863
L-valine
Valine
ME536282
-
C00183
-
118.0863
L-Allothreonine
Allothreonine
ME536323
-
C05519
-
120.0655
L-threonine
Threonine
ME536279
-
C00188
-
120.0655
L-cysteine
Cysteine
ME536268
-
C00097
-
122.0270
Nicotinamide
Niacinamide
ME536291
-
C00153
-
123.0552
Nicotinic acid
Nicotinic acid
ME536338
-
C00253
-
124.0396
Creatine
Creatine
ME536307
-
C00300
-
132.0766
L-leucine+isoleucine
Leucine
ME536273
-
C00123
-
132.1017
L-asparagine
Asparagine
ME536266
-
C00152
-
133.0603
L-aspartate
Aspartic acid
ME536267
-
C00049
-
134.0446
Anthranilate
2-Aminobenzoic acid
ME536318
-
C00108
-
138.0533
1-Hydroxy-2-aminoethylphosphonate
-
ME536339
-
C05678
-
142.0261
Ectoine
Ectoine
ME536322
-
C06231
-
143.0813
Spermidine
Spermidine
ME536303
-
C00315
-
146.1648
L-glutamine
Glutamine
ME536270
-
C00064
-
147.0761
L-lysine
Lysine
ME536274
-
C00047
-
147.1125
L-glutamate
Glutamic acid
ME536269
-
C00025
-
148.0600
L-methionine
Methionine
ME536275
-
C00073
-
150.0581
Xanthine
Xanthine
ME536287
-
C00385
-
153.0388
L-histidine
Histidine
ME536272
-
C00135
-
156.0764
2-Aminomuconate
2-Aminomuconic acid
ME536320
-
C02220
-
158.0443
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME536319
-
C03453
-
159.0274
N-Acyl-D-aspartate
-
ME536348
-
C06380
-
161.0300
N5-Methyl-L-glutamine
N(5)-Methyl-glutamine
ME536340
-
C03153
-
161.0918
L-Carnitine
Carnitine
ME536326
-
C00318
-
162.1121
2-Deoxy-alpha-D-glucoside
-
ME536342
-
C03573
-
164.0667
cis-p-Coumarate
-
ME536343
-
C06738
-
165.0542
L-Methionine S-oxide
Methionine sulfoxide
ME536314
-
C02989
-
166.0528
L-phenylalanine
Phenylalanine
ME536276
-
C00079
-
166.0856
Pyridoxal
Pyridoxal
ME536290
-
C00250
-
168.0642
Pyridoxamine
Pyridoxamine
ME536345
-
C00534
-
169.0953
L-Cysteate
Cysteic acid
ME536313
-
C00506
-
170.0090
L-Noradrenaline
Norepinephrine
ME536347
-
C00547
-
170.0807
N-Acetylornithine
N-Acetylornithine
ME536310
-
C00437
-
175.1077
L-arginine
Arginine
ME536265
-
C00062
-
175.1185
N-Amidino-L-aspartate
Guanidinosuccinic acid
ME536346
-
C03139
-
176.0656
Indole-3-acetate
Indoleacetic acid
ME536316
-
C00954
-
176.0703
Allantoate
Allantoic acid
ME536288
-
C00499
-
177.0606
L-tyrosine
Tyrosine
ME536281
-
C00082
-
182.0799
L-Adrenaline
Epinephrine
ME536321
-
C00788
-
184.0947
3-Phosphonooxypyruvate
Phosphohydroxypyruvic acid
ME536299
-
C03232
-
184.9849
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME536349
-
C17220
-
191.0760
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME536315
-
C05635
-
192.0681
Spermine
Spermine
ME536304
-
C00750
-
203.2224
N-Acyl-D-mannosaminolactone
-
ME536344
-
C03792
-
205.0593
L-tryptophan
Tryptophan
ME536280
-
C00078
-
205.0966
Phosphocreatine
Phosphocreatine
ME536306
-
C02305
-
212.0419
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME536309
-
C15532
-
218.1129
gamma-L-Glutamylputrescine
gamma-Glutamylputrescine
ME536297
-
C15699
-
218.1492
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME536295
-
C03738
-
219.0969
Carnosine
Carnosine
ME536305
-
C00386
-
227.1130
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME536296
-
C15767
-
233.1124
N-formyl kynurenine
N-Formyl-L-kynurenine
ME536317
-
C02700
-
237.0895
6-Lactoyl-5-6-7-8-tetrahydropterin
6-Lactoyltetrahydropterin
ME536341
-
C04244
-
240.1084
L-cystine
Cystine
ME536283
-
C00491
-
241.0292
Thymidine
Thymidine
ME536286
-
C00214
-
243.0975
acyl-C5:1
CAR 5:1
ME536328
-
HMDB02366
-
244.1535
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME536293
-
C00669
-
251.0686
hexanoyl-L-carnitine
CAR 6:0
ME536330
-
HMDB00756
-
260.1846
acyl-C4-DC
CAR DC4:0
ME536327
-
HMDB13133
-
262.1322
acyl-C5-OH
CAR 5:0;OH
ME536329
-
ac107
-
262.1640
Adenosine
Adenosine
ME536284
-
C00212
-
268.1028
L-octanoylcarnitine
CAR 8:0
ME536331
-
HMDB00791
-
288.2156
Sphingosine
Sphingosine
ME536324
-
C00319
-
300.2884
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME536294
-
C05695
-
313.0314
O-Decenoyl-L-carnitine
CAR 10:1
ME536333
-
CID57357170
-
314.2368
5'-Phosphoribosyl-N-formylglycinamide
FGAR
ME536289
-
C04376
-
315.0605
O-Decanoyl-L-carnitine
CAR 10:0
ME536332
-
HMDB00651
-
316.2469
O-dodecenoyl-carnitine
CAR 12:1
ME536335
-
HMDB13326
-
342.2680
O-dodecanoyl-carnitine
CAR 12:0
ME536334
-
HMDB02250
-
344.2792
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME536325
-
C06124
-
380.2600
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME536300
-
C00021
-
385.1277
Hexadecenoyl-carnitine
CAR 16:0
ME536336
-
HMDB06317
-
398.3250
Octadecanoyl-L-carnitine
CAR 18:0
ME536337
-
HMDB00848
-
428.3716
NADH
NADH
ME536292
-
C00004
-
666.1274
glycine
Glycine
ME536271
-
C00037
-
76.0399
Putrescine
Putrescine
ME536302
-
C00134
-
89.1078
L-alanine
Alanine
ME536264
-
C00041
-
90.0554
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Dimethylglycine
Dimethylglycine
ME536403
-
C01026
-
102.0545
Uracil
Uracil
ME536363
-
C00106
-
111.0185
5-6-Dihydrouracil
Dihydrouracil
ME536413
-
C00429
-
113.0342
Fumarate
Fumaric acid
ME536388
-
C00122
-
115.0022
Succinate
Succinic acid
ME536387
-
C00042
-
117.0178
5-6-Dihydrothymine
Dihydrothymine
ME536369
-
C00906
-
127.0500
5-Oxoproline
Pyroglutamic acid
ME536398
-
C01879
-
128.0340
Heptanoic acid
Heptylic acid
ME536425
-
C17714
-
129.0907
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME536411
-
C01157
-
130.0497
Malate
Malic acid
ME536389
-
C00149
-
133.0128
Adenine
Adenine
ME536353
-
C00147
-
134.0459
Ethanolamine phosphate
Phosphoethanolamine
ME536420
-
C00346
-
140.0102
Ectoine
Ectoine
ME536419
-
C06231
-
141.0654
Octanoic acid (caprylate)
Caprylic acid
ME536426
-
C06423
-
143.1064
2-Oxoglutarate
2-Oxoglutaric acid
ME536386
-
C00026
-
145.0129
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME536390
-
C02630
-
147.0282
D-Ribose
Ribose
ME536384
-
C00121
-
149.0453
Guanine
Guanine
ME536357
-
C00242
-
150.0397
Xanthine
Xanthine
ME536367
-
C00385
-
151.0249
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME536421
-
C01210
-
154.0249
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME536418
-
C03453
-
157.0112
Nonanoic acid (pelargonate)
Pelargonic acid
ME536427
-
C01601
-
157.1221
Indole-3-acetaldehyde
Indoleacetaldehyde
ME536415
-
C00637
-
158.0599
3-Phosphonopyruvate
-
ME536405
-
C02798
-
166.9740
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME536380
-
C00074
-
166.9740
Vanillate
Vanillic acid
ME536467
-
C06672
-
167.0353
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME536377
-
C00118
-
168.9887
Decanoic acid (caprate)
Capric acid
ME536428
-
C01571
-
171.1379
Ascorbate
Vitamin C
ME536400
-
C00072
-
175.0237
Diphosphate
Pyrophosphate
ME536373
-
C00013
-
176.9343
D-Glucose
Glucose
ME536374
-
C00031
-
179.0550
Mannitol
Mannitol
ME536383
-
C00392
-
181.0691
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME536379
-
C00631
-
184.9845
Undecanoic acid
Undecylic acid
ME536459
-
C17715
-
185.1538
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME536469
-
C02774
-
187.1330
Oxalosuccinate
Oxalosuccinic acid
ME536470
-
C05379
-
189.0064
N-Carbamyl-L-glutamate
Carglumic acid
ME536471
-
C05829
-
189.0488
N-Acetylmethionine
N-Acetylmethionine
ME536468
-
C02712
-
190.0525
Citrate
Citric acid
ME536385
-
C00158
-
191.0187
Ferric gluconate
-
ME536465
-
C13511
-
194.0469
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME536392
-
C00279
-
199.0036
Dodecanoic acid
Lauric acid
ME536429
-
C02679
-
199.1694
Indolepyruvate
Indolepyruvate
ME536416
-
C00331
-
202.0481
Pantothenol
Pantothenol
ME536412
-
C00864
-
218.1026
Cystathionine
Cystathionine
ME536402
-
C00542
-
221.0617
Carnosine
Carnosine
ME536410
-
C00386
-
225.0988
Tetradecenoic acid
Tetradecenoic acid
ME536433
-
C08322
-
225.1854
Tetradecanoic acid
Myristic acid
ME536430
-
C06424
-
227.2009
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME536394
-
C00620
-
229.0112
Dodecanedioic acid
Dodecanedioic acid
ME536441
-
C02678
-
229.1441
N-formyl kynurenine
N-Formyl-L-kynurenine
ME536417
-
C02700
-
235.0749
Cytidine
Cytidine
ME536359
-
C00475
-
242.0782
N1-Acetylspermine
N1-Acetylspermine
ME536464
-
C02567
-
243.2233
Hexadecenoic acid
Hexadecenoic acid
ME536434
-
C08362
-
253.2169
Hexadecanoic acid
Palmitic acid
ME536431
-
C00249
-
255.2325
D-Glucose 6-phosphate
Glucose 6-phosphate
ME536375
-
C02965
-
259.0219
2-3-Bisphosphoglycerate
-
ME536378
-
C03339
-
264.9510
Inosine
Inosine
ME536366
-
C00294
-
267.0742
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME536401
-
C05283
-
274.1045
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME536391
-
C00345
-
275.0168
Stearidonic acid
Stearidonic acid
ME536460
-
C16300
-
275.2013
Pantetheine
Pantetheine
ME536414
-
C00831
-
277.1249
Octadecatrienoic acid
Octadecatrienoic acid
ME536437
-
C06427
-
277.2171
Linoleate
Linoleic acid
ME536436
-
C01595
-
279.2326
trans-9-Octadecenoic acid
Elaidic acid
ME536461
-
C01712
-
281.2481
Octadecenoic acid
Octadecenoic acid
ME536435
-
C00712
-
281.2482
Guanosine
Guanosine
ME536356
-
C00387
-
282.0845
Octadecanoic acid
Stearic acid
ME536432
-
C01530
-
283.2638
Sedoheptulose 1-phosphate
Sedoheptulose 1-phosphate
ME536393
-
C06222
-
289.0348
13(S)-HODE
13S-HODE
ME536447
-
C14762
-
295.2275
9(S)-HODE
9S-HODE
ME536448
-
C14767
-
295.2275
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid
EPA
ME536443
-
C06428
-
301.2172
Eicosapentaenoic acid
Eicosapentaenoic acid
ME536439
-
C06428
-
301.2172
Eicosatetraenoic acid
Eicosatetraenoic acid
ME536438
-
C00219
-
303.2325
(8Z-11Z-14Z)-Icosatrienoic acid
Dihomo-gamma-linolenic acid
ME536442
-
C03242
-
305.2482
dCMP
dCMP
ME536358
-
C00239
-
306.0504
Glutathione
Glutathione
ME536396
-
C00051
-
306.0779
D-Alanyl-alanyl-poly(glycerolphosphate)
-
ME536466
-
C04457
-
313.0782
Leukotriene A4
LTA4
ME536458
-
C00909
-
317.2126
UMP
UMP
ME536362
-
C00105
-
323.0281
N-Glycoloyl-neuraminate
N-Glycoloylneuraminic acid
ME536406
-
C03410
-
324.095
Docosahexaenoic acid
Docosahexaenoic acid
ME536440
-
C06429
-
327.2328
3',5'-Cyclic IMP
3',5' cyclic IMP
ME536368
-
C00943
-
329.0296
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaeno...
DPA
ME536444
-
C16513
-
329.2483
Docosatetraenoic acid
Docosatetraenoic acid
ME536462
-
C16527
-
331.2638
Prostaglandin A2
PGA2
ME536450
-
C05953
-
333.2095
Prostaglandin B2
PGB2
ME536451
-
C05954
-
333.2096
11(R)-HPETE/Leukotriene B4 (isobars)
11-HpETE
ME536449
-
C14820
-
335.2202
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME536376
-
C00354
-
338.9886
AMP
AMP
ME536352
-
C00020
-
346.0539
IMP
IMP
ME536365
-
C00130
-
347.0402
Prostaglandin D3 (isobars)
PGD3
ME536455
-
C13802
-
349.2047
Prostaglandin D2/Thromboxane A2 (isobars)
-
ME536452
-
C00696
-
351.2201
Prostaglandin E2
PGE2
ME536453
-
C00584
-
351.2206
Prostaglandin F2alpha/beta/D1 (isobars)
-
ME536454
-
C00639
-
353.2303
(15Z)-Tetracosenoic acid
Nervonic acid
ME536463
-
C08323
-
365.3423
Prostaglandin G2
PGG2
ME536456
-
C05956
-
367.2138
Thromboxane B2
TXB2
ME536457
-
C05963
-
369.2279
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME536423
-
C01120
-
380.2545
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME536404
-
C00021
-
383.1155
5-Phospho-alpha-D-ribose 1-diphosphate
Phosphoribosyl pyrophosphate
ME536395
-
C00119
-
388.9413
3alpha-12alpha-Dihydroxy-5beta-cholanate
Deoxycholic acid
ME536446
-
C04483
-
391.2878
UDP
UDP
ME536361
-
C00015
-
402.9960
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate
Cholic acid
ME536445
-
C00695
-
407.2826
S-Glutathionyl-L-cysteine
S-Glutathionyl-cysteine
ME536399
-
C05526
-
425.0801
ADP
ADP
ME536351
-
C00008
-
426.0224
IDP
IDP
ME536364
-
C00104
-
427.0037
GDP
GDP
ME536355
-
C00035
-
442.0167
UTP
UTP
ME536360
-
C00075
-
482.9577
CDP-choline
CDP-choline
ME536422
-
C00307
-
487.1005
ATP
ATP
ME536350
-
C00002
-
505.9848
GTP
GTP
ME536354
-
C00044
-
521.9797
ADP-D-ribose
ADP-ribose
ME536371
-
C01882
-
558.0600
UDP-glucose
UDP-glucose
ME536370
-
C00029
-
565.0464
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME536407
-
C00043
-
606.0742
Glutathione disulfide
Oxidized glutathione
ME536397
-
C00127
-
611.1441
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME536408
-
C00128
-
613.1364
Glycolate
Glycolic acid
ME536409
-
C00160
-
75.0072
Pyruvate
Pyruvic acid
ME536381
-
C00022
-
87.0072
Butanoic acid
Butyric acid
ME536424
-
C00246
-
87.0436
Lactate
Lactic acid
ME536382
-
C01432
-
89.0229
Phosphate
Phosphoric acid
ME536372
-
C00009
-
96.9681
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
ME536511
-
C01672
-
103.1232
Choline
Choline
ME536536
-
C00114
-
105.1134
L-serine
Serine
ME536486
-
C00065
-
106.0501
Creatinine
Creatinine
ME536520
-
C00791
-
114.0664
L-proline
Proline
ME536485
-
C00148
-
116.0707
Indole
Indole
ME536527
-
C00463
-
118.0652
L-valine
Valine
ME536490
-
C00183
-
118.0863
L-threonine
Threonine
ME536487
-
C00188
-
120.0656
L-cysteine
Cysteine
ME536476
-
C00097
-
122.0271
Nicotinamide
Niacinamide
ME536497
-
C00153
-
123.0552
Nicotinic acid
Nicotinic acid
ME536554
-
C00253
-
124.0396
Taurine
Taurine
ME536524
-
C00245
-
126.0217
Creatine
Creatine
ME536519
-
C00300
-
132.0766
L-leucine
Leucine
ME536481
-
C00123
-
132.1017
L-asparagine
Asparagine
ME536474
-
C00152
-
133.0603
Ornithine
Ornithine
ME536509
-
C01602
-
133.0978
L-aspartate
Aspartic acid
ME536475
-
C00049
-
134.0446
Hypoxanthine
Hypoxanthine
ME536494
-
C00262
-
137.0456
Acetyl phosphate
Acetylphosphate
ME536555
-
C00227
-
140.9952
2-Methyleneglutarate
-
ME536557
-
C02930
-
145.0493
3-Methyleneoxindole
3-Methyleneoxindole
ME536526
-
C02796
-
146.0598
Spermidine
Spermidine
ME536513
-
C00315
-
146.1649
L-glutamine
Glutamine
ME536478
-
C00064
-
147.0761
L-lysine
Lysine
ME536482
-
C00047
-
147.1125
L-glutamate
Glutamic acid
ME536477
-
C00025
-
148.0602
L-methionine
Methionine
ME536483
-
C00073
-
150.0581
L-histidine
Histidine
ME536480
-
C00135
-
156.0765
2-Oxoadipate
Oxoadipic acid
ME536531
-
C00322
-
161.0447
N5-Methyl-L-glutamine
N(5)-Methyl-glutamine
ME536556
-
C03153
-
161.0926
N6-Methyl-L-lysine
N(6)-Methyllysine
ME536561
-
C02728
-
161.1285
L-Carnitine
Carnitine
ME536537
-
C00318
-
162.1121
cis-p-Coumarate
-
ME536560
-
C06738
-
165.0542
L-phenylalanine
Phenylalanine
ME536484
-
C00079
-
166.0858
Pyridoxamine
Pyridoxamine
ME536563
-
C00534
-
169.0947
L-Noradrenaline
Norepinephrine
ME536565
-
C00547
-
170.0807
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME536534
-
C00093
-
173.0219
N-Acetylornithine
N-Acetylornithine
ME536522
-
C00437
-
175.1086
L-arginine
Arginine
ME536473
-
C00062
-
175.1185
N-Amidino-L-aspartate
Guanidinosuccinic acid
ME536564
-
C03139
-
176.0655
Indole-3-acetate
Indoleacetic acid
ME536528
-
C00954
-
176.0715
L-Citrulline
Citrulline
ME536510
-
C00327
-
176.1042
Serotonin
Serotonin
ME536533
-
C00780
-
177.1020
Cys-Gly
Cys-Gly
ME536500
-
C01419
-
179.0480
D-Glucosamine
Glucosamine
ME536517
-
C00329
-
180.0876
L-tyrosine
Tyrosine
ME536489
-
C00082
-
182.0801
4-Pyridoxate
4-Pyridoxic acid
ME536496
-
C00847
-
184.0578
L-Adrenaline
Epinephrine
ME536532
-
C00788
-
184.0962
Phosphoserine
Phosphoserine
ME536506
-
C02532
-
186.0172
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME536566
-
C17220
-
191.0761
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME536525
-
C05635
-
192.0654
Spermine
Spermine
ME536514
-
C00750
-
203.2226
L-tryptophan
Tryptophan
ME536488
-
C00078
-
205.0967
6-Hydroxykynurenic acid
6-Hydroxykynurenic acid
ME536529
-
C08480
-
206.0475
3-Oxalomalate
3-Oxalomalic acid
ME536559
-
C01990
-
207.0168
kynurenine
Kynurenine
ME536530
-
C00328
-
209.0924
Phosphocreatine
Phosphocreatine
ME536518
-
C02305
-
212.0419
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME536521
-
C15532
-
218.1130
gamma-L-Glutamylputrescine
gamma-Glutamylputrescine
ME536505
-
C15699
-
218.1493
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME536503
-
C03738
-
219.0979
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME536504
-
C15767
-
233.1137
6-Lactoyl-5-6-7-8-tetrahydropterin
6-Lactoyltetrahydropterin
ME536558
-
C04244
-
240.1066
L-cystine
Cystine
ME536491
-
C00491
-
241.0296
acyl-C5:1
CAR 5:1
ME536540
-
HMDB02366
-
244.1537
acyl-C4-OH
CAR 4:0;OH
ME536538
-
HMDB13127
-
248.1497
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME536501
-
C00669
-
251.0687
D-Glucono-1-5-lactone 6-phosphate
6-Phosphonoglucono-D-lactone
ME536499
-
C01236
-
259.0204
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME536516
-
C06156
-
260.0512
hexanoyl-L-carnitine
CAR 6:0
ME536542
-
HMDB00756
-
260.1848
acyl-C4-DC
CAR DC4:0
ME536539
-
HMDB13133
-
262.1300
acyl-C5-OH
CAR 5:0;OH
ME536541
-
ac107
-
262.1641
Adenosine
Adenosine
ME536492
-
C00212
-
268.1032
N-Succinyl-L-citrulline
N(2)-Succinyl-citrulline
ME536523
-
C18048
-
276.1181
octenoyl-l-carnitine
CAR 8:1
ME536544
-
ac111
-
286.2002
L-octanoylcarnitine
CAR 8:0
ME536543
-
HMDB00791
-
288.2159
N-Acetylneuraminate
N-Acetylneuraminic acid
ME536515
-
C00270
-
310.1118
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME536502
-
C05695
-
313.0309
O-Decenoyl-L-carnitine
CAR 10:1
ME536546
-
CID57357170
-
314.2372
O-Decanoyl-L-carnitine
CAR 10:0
ME536545
-
HMDB00651
-
316.2472
CMP
CMP
ME536493
-
C00055
-
324.0577
3',5'-Cyclic AMP
3',5' cyclic AMP
ME536495
-
C00575
-
330.0615
O-dodecenoyl-carnitine
CAR 12:1
ME536548
-
HMDB13326
-
342.2628
O-dodecanoyl-carnitine
CAR 12:0
ME536547
-
HMDB02250
-
344.2784
Tetradecenoyl Carnitine
CAR 14:1
ME536550
-
HMDB13329
-
370.2934
O-tetradecanoyl-L-carnitine
CAR 14:0
ME536549
-
HMDB05066
-
372.3090
Riboflavin
Riboflavin
ME536562
-
C00255
-
377.1443
Sphingosine 1-phosphate
Sphingosine 1-phosphate
ME536535
-
C06124
-
380.2587
Hexadecenoyl-carnitine
CAR 16:0
ME536551
-
HMDB06317
-
398.3253
O-octadecenoyl-L-carnitine
-
ME536553
-
HMDB06351
-
426.3560
Octadecanoyl-L-carnitine
CAR 18:0
ME536552
-
HMDB00848
-
428.3719
Folate
Folic acid
ME536507
-
C00504
-
442.1461
10-Formyltetrahydrofolate
N10-Formyl-THF
ME536508
-
C00234
-
474.1820
NAD+
NAD
ME536498
-
C00003
-
665.1177
glycine
Glycine
ME536479
-
C00037
-
76.0400
Putrescine
Putrescine
ME536512
-
C00134
-
89.1078
L-alanine
Alanine
ME536472
-
C00041
-
90.0554
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