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Return to study ST002936 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
0-acetyl-Lserine
-
ME761147
-
-
4.73
106
1C-1N-glycine
-
ME761278
-
-
8.51
31.5
1C-4H-arginine
-
ME761287
-
-
14.32
60
1-methyladenosine
-
ME761191
-
-
-
150
1-methyl-histidimine
-
ME761158
-
-
6.1
124
2-aminooctanoic acid
-
ME761152
-
-
-
55.3
2H-citrulline
-
ME761288
-
-
8.68
161
2H-ornithine
-
ME761282
-
-
12.68
72
3H-aspartate
-
ME761283
-
-
8.57
76
3H-glutamate
-
ME761284
-
-
8.15
87.1
3H-leucine
-
ME761281
-
-
5.01
89
3H-methionine
-
ME761285
-
-
5.51
136
3-methyl-l-histidine1
-
ME761243
-
-
-
-
3-methyl-l-histidine2
-
ME761244
-
-
-
-
3-methyl-l-histidine3
-
ME761245
-
-
-
-
3-phospho-sersine
-
ME761166
-
-
10.17
88
4-aminobutyrate
-
ME761116
-
-
8.28
69
4_CL_phen_ala_1
-
ME761239
-
-
-
-
4_CL_phen_ala_2
-
ME761240
-
-
-
-
4H-alanine
-
ME761279
-
-
7.8
48.2
5-methoxytryptophan
-
ME761178
-
-
5.02
176
5-METHYL-THF
-
ME761216
-
-
-
313.1
6C-phenylalanine
-
ME761286
-
-
4.6
109
6C-tyrosine
-
ME761289
-
-
6.66
83
7_8-dihydrofolate
-
ME761215
-
-
-
178
7-methylguanosine
-
ME761195
-
-
6.71
166
8H-valine
-
ME761280
-
-
6.03
62.2
acadesine
-
ME761184
-
-
-
110
acetoacetyl-CoA_pos
-
ME761228
-
-
-
345
acetylcarnitine
-
ME761172
-
-
4.82
85
acetyl-CoA_pos
-
ME761226
-
-
7.21
303
acetyl lysine
-
ME761168
-
-
-
84
adenine
-
ME761140
-
-
3.89
119
adenosine
-
ME761190
-
-
4.03
136.1
agmatine_1
-
ME761236
-
-
-
-
alanine
-
ME761113
-
-
7.8
44.2
aminoadipate_1
-
ME761293
-
-
-
-
aminoadipate_2
-
ME761294
-
-
-
-
aminoimidazole carboxamide ribonucltide
-
ME761203
-
-
-
11
aminoisobutanoate1
-
ME761249
-
-
-
-
aminoisobutanoate2
-
ME761250
-
-
-
-
AMP
-
ME761206
-
-
7.81
136
arginine
-
ME761160
-
-
14.32
60
ascorbate1
-
ME761254
-
-
-
-
ascorbate2
-
ME761255
-
-
-
-
asparagine
-
ME761138
-
-
8.18
74
aspartate
-
ME761139
-
-
8.57
74
betaine
-
ME761123
-
-
5.01
58
betaine aldehyde
Betaine aldehyde
ME761114
-
-
-
58
biotin
-
ME761181
-
-
4
227
carnitine
-
ME761153
-
-
6.58
103
carnosine1
-
ME761246
-
-
-
-
carnosine2
-
ME761247
-
-
-
-
carnosine3
-
ME761248
-
-
-
-
choline
-
ME761115
-
-
11.17
60
citrulline
-
ME761161
-
-
8.68
159
CMP
-
ME761199
-
-
9.39
112
coenzyme A_pos
-
ME761224
-
-
8.15
261
creatine
-
ME761129
-
-
7.65
90
creatinine
-
ME761120
-
-
4.35
44.2
cystathionine
-
ME761177
-
-
9.74
134
cysteine
-
ME761128
-
-
9.06
59.1
cystine
-
ME761179
-
-
8.77
74
cytidine
-
ME761180
-
-
5.98
112
cytosine
-
ME761119
-
-
5.41
95
dAMP
-
ME761201
-
-
6.93
136
dCMP
dCMP
ME761196
-
-
8.49
112
dcSAM
-
ME761235
-
-
-
-
deoxycytidine
-
ME761259
-
-
-
-
deoxyguanosine
-
ME761189
-
-
5.38
152
dephospho-CoA_POS
-
ME761221
-
-
-
348
dexyadenosine
-
ME761182
-
-
3.41
136
D-glucosamine-1-phosphate
-
ME761186
-
-
-
162.1
D-glucosamine-6-phosphate
-
ME761185
-
-
9.99
126
dGMP
-
ME761205
-
-
9.21
135
diaminopimelate2
-
ME761260
-
-
-
-
diethanolamine1
-
ME761241
-
-
-
-
diethanolamine2
-
ME761242
-
-
-
-
dihydrouracil_1
-
ME761267
-
-
-
-
diiodothyronine
-
ME761217
-
-
-
352.8
dimethylglycine
-
ME761117
-
-
5.7
58
DL-pipecolic acid
-
ME761133
-
-
5.94
84
dTMP
-
ME761198
-
-
-
81
ethanolamine-1
Ethanolamine
ME761110
-
-
12.27
44.2
ethanolamine-2
Ethanolamine
ME761290
-
-
-
-
ethanolamine-3
-
ME761291
-
-
-
-
ethanolamine-4
-
ME761292
-
-
-
-
FAD
FAD
ME761225
-
-
5.99
348
flavone
-
ME761176
-
-
-
121
folate
-
ME761214
-
-
10.54
295
formamide
-
ME761269
-
-
-
-
formtl_methionine
-
ME761237
-
-
-
-
formtl_methionine1
-
ME761238
-
-
-
-
gamma_aminobutyrat
-
ME761273
-
-
-
-
glucosamine
-
ME761163
-
-
7.53
162
glucuronate1
-
ME761264
-
-
-
-
glutamate
-
ME761148
-
-
8.15
84.1
glutamine
-
ME761146
-
-
8.01
84.1
glutathine
-
ME761197
-
-
8.11
163
glutathione disulfide_pos
-
ME761218
-
-
10.66
231
glycerol
-
ME761265
-
-
-
-
glycerophosphocholine
-
ME761183
-
-
-
104
glycine
-
ME761112
-
-
8.51
30.5
GMP
-
ME761209
-
-
-
152
guanidinoacetate1
-
ME761252
-
-
-
-
guanidinoacetate2
-
ME761253
-
-
-
-
guanine
-
ME761150
-
-
6.03
110
guanosine
-
ME761192
-
-
6.63
135
gulose1
Gulose
ME761251
-
-
-
-
histidine
-
ME761151
-
-
7.66
110.1
histidinol
-
ME761144
-
-
11.12
95
homocysteine
-
ME761142
-
-
8.97
90.1
homoserine
-
ME761126
-
-
8.06
44.2
hydroxyproline
-
ME761135
-
-
7.65
68.2
imidazole
-
ME761111
-
-
3.2
42.24
IMIDAZOLECETIC ACID
-
ME761131
-
-
5.63
81
IMP
-
ME761207
-
-
-
-
indole
-
ME761122
-
-
-
91
isoleucine1
-
ME761274
-
-
-
-
isoleucine2
-
ME761275
-
-
-
-
kynurenine
-
ME761174
-
-
5.2
146
L-arginino-succinate
-
ME761193
-
-
-
70
leucine1
-
ME761276
-
-
-
-
leucine2
-
ME761277
-
-
-
-
leucine-isoleucine
Leucine/Isoleucine
ME761136
-
-
5.01
86
lysine
-
ME761145
-
-
13.82
67
maleimide2
-
ME761262
-
-
-
-
malonate
-
ME761270
-
-
-
-
malonyl-CoA_pos
-
ME761229
-
-
-
347
methionine
-
ME761149
-
-
5.51
133
Methionine-sulfone
-
ME761295
-
-
5.1
56
methionine sulfoxde
-
ME761154
-
-
6.71
74
methylcysteine
-
ME761141
-
-
5.44
119.02
methylnicotinamide
Methyl nicotinamide
ME761143
-
-
13.61
94
N6-acetyl-L-lysine
-
ME761167
-
-
7.84
84.2
N-acetyl-glucosamine
-
ME761175
-
-
4.8
138
N-acetyl-glutamate
-
ME761170
-
-
8.07
84.1
N-acetyl-glutamine
-
ME761169
-
-
4.96
130
N-acetyl-ornithine
-
ME761159
-
-
8.33
115.1
N-Acetylputrescine
N-Acetylputrescine
ME761134
-
-
11.2
114
NADH
NADH
ME761220
-
-
7.14
514
NADPH
NADPH
ME761223
-
-
10.26
729
NAD+_POS
-
ME761219
-
-
7.7
428
NADP+_pos
-
ME761222
-
-
10.26
136
N-CARBAMOYL-L-ASPARTATE
-
ME761162
-
-
-
74
Ng_Ng-dimethyl-Larginine
-
ME761171
-
-
11.87
70
NICOTINAMIDE
-
ME761130
-
-
2.76
80
Nicotinamide ribotide
Nicotinamide ribotide
ME761202
-
-
-
123
noradrenaline
-
ME761261
-
-
-
-
ornithine
-
ME761137
-
-
12.68
70
paraxanthine
-
ME761263
-
-
-
-
phenylalanine
-
ME761155
-
-
4.6
103
phosphorylcholine
-
ME761165
-
-
8.19
125
proline
-
ME761121
-
-
6.36
70.1
propionyl-CoA_pos
-
ME761227
-
-
-
317.1
purine
-
ME761127
-
-
3.2
94
putrescine
-
ME761231
-
-
-
72
pyrazole1
-
ME761257
-
-
-
-
pyrazole2
-
ME761258
-
-
-
-
pyridoxamine
-
ME761156
-
-
-
134
pyridoxine
-
ME761157
-
-
3.2
134
quinate-1
-
ME761256
-
-
-
-
quinate_1
-
ME761272
-
-
-
-
quinate-2
-
ME761271
-
-
-
-
riboflavin
-
ME761211
-
-
3.25
243
S-adenosyl-L-homoCysteine_pos
-
ME761212
-
-
7
136
S-adenosyl-L-methioninamine
-
ME761208
-
-
-
250
S-adenosyl-L-methionine
-
ME761213
-
-
9.03
250
sarcosine
-
ME761234
-
-
7.21
44.1
serine
-
ME761118
-
-
8.58
60
Smethyl-5-thioadenosine
-
ME761194
-
-
2.55
136
spermidine
-
ME761232
-
-
-
72
spermine
-
ME761233
-
-
-
112.1
S-ribosyl-L-homocysteine_pos
-
ME761188
-
-
-
88
succinate semialdehyd
-
ME761268
-
-
-
-
succinyl-CoA_pos
-
ME761230
-
-
-
361
thiamine
-
ME761187
-
-
11.28
122
thiamine-phosphate
-
ME761204
-
-
7.51
122
thiourea
-
ME761266
-
-
-
-
threonine
-
ME761125
-
-
7.43
74
thymine
-
ME761132
-
-
2.86
110
tryptophan
-
ME761173
-
-
5.58
85
tyrosine
-
ME761164
-
-
6.66
77
UMP
-
ME761200
-
-
8.82
97
urea
-
ME761109
-
-
5.1
44.2
valine
-
ME761124
-
-
6.03
58
xanthosine-5-phoshate
-
ME761210
-
-
-
97
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1_3-diphopshateglycerate
-
ME761384
-
-
-
79
2_3-dihydroxybenzoic acid
-
ME761331
-
-
3.53
109
2_3-Diphosphoglyceric acid
-
ME761385
-
-
-
167.1
2-dehydro-D-gluconate
-
ME761364
-
-
-
103
2-deoxyglucose-6-phosphate
-
ME761456
-
-
-
97.1
2-Hydroxy-2-methylbutanedioic acid
-
ME761327
-
-
-
85.1
2-hydroxygluterate
-
ME761457
-
-
8.94
128.7
2-Isopropylmalic acid
-
ME761350
-
-
5.94
115
2-ketohaxanoic acid
-
ME761314
-
-
-
101.3
2-keto-isovalerate
-
ME761305
-
-
-
71.05
2-oxo-4-methylthiobutanoate
-
ME761326
-
-
-
99
2-oxobutanoate/acetoacetate
-
ME761300
-
-
-
57.2
2-phosphoglycerate
-
ME761458
-
-
-
-
2-phosphoglycerate_3
-
ME761468
-
-
-
-
3-dehydroshikimate
-
ME761463
-
-
-
-
3-dehydroshikimate(1)
-
ME761464
-
-
-
-
3-hydroxy-3-methylglutaryl-CoA_neg
-
ME761455
-
-
9.15
408
3-hydroxybutyryl-CoA
-
ME761453
-
-
-
408
3-methylphenylacetic acid
-
ME761328
-
-
1.9
105
3-phosphoglycerate
-
ME761358
-
-
12.02
97
3-S-methylthiopropionate
-
ME761309
-
-
-
47
4-Pyridoxic acid
4-Pyridoxic acid
ME761357
-
-
2.2
138
5-phosphoribosyl-1-pyrophosphate
-
ME761407
-
-
-
291
6-phospho-D-gluconate
-
ME761388
-
-
11.35
97
6-phospho-D-glucono-1_5-lactone
-
ME761379
-
-
-
97
acetoacetyl-CoA_neg
-
ME761451
-
-
-
766.1
acetyl-CoA_pos
-
ME761448
-
-
7.21
408
acetylphosphate
-
ME761322
-
-
-
79
aconitate
-
ME761347
-
-
11.12
85
adenosine 5-phosphosulfate
-
ME761416
-
-
-
346
ADP-D-glucose
-
ME761437
-
-
8.74
346
ADP_neg
ADP
ME761417
-
-
10.34
159
a-ketoglutarate
-
ME761324
-
-
9.28
101
allantoate
-
ME761348
-
-
-
132
allantoin
-
ME761334
-
-
7.06
114
Aminoadipic acid
Aminoadipic acid
ME761335
-
-
8.39
116
anthranilate/p-aminobenzoate
-
ME761320
-
-
5.15
92
Ascorbic acid
-
ME761349
-
-
7.73
87
ATP_neg
-
ME761432
-
-
11.56
159
Atrolactic acid
-
ME761338
-
-
-
119
butyryl-CoA
-
ME761450
-
-
-
408
Carbamoyl phosphate
-
ME761323
-
-
-
79
CDP-choline
CDP-choline
ME761429
-
-
-
428
CDP-ethanolamine
-
ME761421
-
-
9.49
273
CDP_neg
-
ME761411
-
-
10.82
384
Cellobiose
-
ME761401
-
-
8.61
263.1
cholesteryl sulfate
-
ME761423
-
-
-
97
Cholic acid
-
ME761413
-
-
-
345.2
Citraconic acid
-
ME761313
-
-
4.45
85.1
citrate
-
ME761363
-
-
-
87
citrate-isocitrate
-
ME761361
-
-
11.45
111
coenzyme A_neg
-
ME761447
-
-
8.15
408
CTP_neg
-
ME761427
-
-
-
384
cyclic-AMP
-
ME761397
-
-
4.55
134.05
cyclic bis(3->5) dimeric GMP
-
ME761444
-
-
10.78
344
dATP_neg
-
ME761430
-
-
11.17
159
dCDP_neg
-
ME761406
-
-
10.74
159
dCTP_neg
-
ME761424
-
-
-
159
Deoxycholic acid
-
ME761408
-
-
2.02
345.2
deoxyinosine
-
ME761377
-
-
4.54
135
deoxyribose-phosphate
Deoxyribose 5-phosphate
ME761370
-
-
8.37
79
deoxyuridine
-
ME761373
-
-
3.21
184
dephospho-CoA_neg
-
ME761443
-
-
-
339
D-erythrose-4-phosphate
-
ME761366
-
-
-
97
dGDP_neg
-
ME761418
-
-
-
159
D-glucarate
-
ME761369
-
-
-
85
D-gluconate
-
ME761365
-
-
7.66
129
D-glyceraldehdye-3-phosphate
-
ME761344
-
-
9.6
97
dGTP
-
ME761433
-
-
11.77
159
dihydroorotate
-
ME761333
-
-
5.31
113
dihydroxy-acetone-phosphate
-
ME761343
-
-
8.98
79
D-sedoheptulose-1-7-phosphate
-
ME761390
-
-
9.81
97
dTDP_neg
-
ME761410
-
-
-
159
dTMP_neg
-
ME761396
-
-
-
195
dTTP_neg
-
ME761426
-
-
-
159
dUMP_neg
-
ME761393
-
-
7.6
195
dUTP_neg
-
ME761425
-
-
11.36
159
FMN
-
ME761422
-
-
-
213
fructose-1_6-bisphosphate
Fructose 1,6-bisphosphate
ME761398
-
-
-
97
fructose-6-phosphate
-
ME761383
-
-
9.7
169
fumarate
-
ME761303
-
-
9.7
71
galactitol
-
ME761467
-
-
-
-
GDP_neg
-
ME761420
-
-
12.06
159
Geranyl-PP
-
ME761394
-
-
-
79
glucono-D-lactone
-
ME761353
-
-
5.04
129
glucose
-
ME761469
-
-
-
-
glucose-1-phosphate
-
ME761381
-
-
9.6
241
glucose-6-phosphate
-
ME761382
-
-
10.25
199
glutathione disulfide_neg
-
ME761440
-
-
10.66
306
glutathione_neg
-
ME761392
-
-
8.11
143
glyceraldehyde
-
ME761465
-
-
-
-
glyceraldehyde(1)
-
ME761466
-
-
-
-
glycerate
-
ME761301
-
-
5.96
75
glycolate
-
ME761297
-
-
2.7
45.2
glyoxylate
-
ME761296
-
-
4.16
45
GTP_neg
-
ME761434
-
-
13.46
424
Guanidoacetic acid
Guanidoacetic acid
ME761306
-
-
8.63
74.3
guanosine 5-diphosphate_3-diphosphate
-
ME761438
-
-
-
504
hexose-phosphate
-
ME761380
-
-
-
79
homocysteic acid
-
ME761356
-
-
9.6
80
Hydroxyisocaproic acid
Hydroxyisocaproic acid
ME761317
-
-
1.97
85.1
Hydroxyphenylacetic acid
-
ME761330
-
-
2.52
107
hydroxyphenylpyruvate
-
ME761355
-
-
3.27
107
hypoxanthine
-
ME761319
-
-
4.9
92
IDP_neg
-
ME761419
-
-
11.56
159
Indole-3-carboxylic acid
-
ME761336
-
-
-
116
Indoleacrylic acid
-
ME761359
-
-
2.95
142.03
inosine
-
ME761387
-
-
5.15
135
isocitrate
-
ME761362
-
-
-
117
itaconic acid
-
ME761470
-
-
-
-
Kynurenic acid
Kynurenic acid
ME761360
-
-
5.01
144
lactate
-
ME761299
-
-
3.9
43.2
lipoate
-
ME761368
-
-
2.15
171
malate
Malic acid
ME761318
-
-
9.8
115
Maleic acid
-
ME761304
-
-
4.52
71.03
malonyl-CoA_neg
-
ME761452
-
-
-
808.2
Methylmalonic acid
-
ME761308
-
-
8.1
73.1
myo-inositol
-
ME761354
-
-
9.39
161
N-acetyl-glucosamine-1-phosphate
-
ME761391
-
-
-
79
N-Acetyl-L-alanine
N-Acetylalanine
ME761315
-
-
3.34
88
n-acetylneuraminate
-
ME761459
-
-
-
-
n-acetylneuraminate(1)
-
ME761460
-
-
-
-
NADH_neg
-
ME761442
-
-
7.14
408
NAD+_neg
-
ME761441
-
-
7.7
540
NADPH_neg
-
ME761446
-
-
10.62
408
NADP+_neg
-
ME761445
-
-
10.64
620
N-carbamoyl-L-aspartate_neg
-
ME761351
-
-
10.08
132
nicotinate
-
ME761310
-
-
3.3
78
octulose-1_8-bisphosphate
-
ME761409
-
-
-
97
octulose-monophosphate
-
ME761395
-
-
-
97
orotate
-
ME761332
-
-
5.02
111
orotidine-5-phosphate
-
ME761402
-
-
-
323
oxaloacetate
-
ME761316
-
-
-
87
pantothenate
-
ME761371
-
-
3.5
146
Phenyllactic acid
-
ME761339
-
-
-
103.1
Phenylpropiolic acid
-
ME761325
-
-
2.34
101
phenylpyruvate
-
ME761337
-
-
1.87
91
phosphoenolpyruvate
-
ME761341
-
-
11.14
79
p-hydroxybenzoate
-
ME761321
-
-
5.37
93
prephenate
-
ME761372
-
-
-
91
propionyl-CoA_neg
-
ME761449
-
-
-
408
Pyroglutamic acid
Pyroglutamic acid
ME761312
-
-
4.8
82.1
Pyrophosphate
-
ME761352
-
-
-
158.6
pyruvate
-
ME761298
-
-
3.66
43
quinolinate
-
ME761340
-
-
8.87
122
ribose-phosphate
-
ME761374
-
-
9.46
79
S-adenosyl-L-homocysteine_neg
-
ME761405
-
-
7
134
Sedoheptulose 1_7-bisphosphate
-
ME761403
-
-
-
97
shikimate
-
ME761346
-
-
7.69
93
shikimate-3-phosphate
-
ME761378
-
-
-
97
sn-glycerol-3-phosphate
-
ME761345
-
-
8.36
79
S-ribosyl-L-homocysteine_neg
-
ME761386
-
-
-
134
succinate
-
ME761307
-
-
9.06
73
succinyl-CoA-methylmalonyl-CoA_neg
-
ME761454
-
-
-
822
sucrose
-
ME761399
-
-
8.09
179
tartrate
-
ME761461
-
-
-
-
tartrate(1)
-
ME761462
-
-
-
-
taurine
-
ME761311
-
-
7.88
80
Taurodeoxycholic acid
-
ME761431
-
-
-
124
Thiamine pyrophosphate
-
ME761415
-
-
8.33
302
thymidine
-
ME761375
-
-
2.83
125
trans_ trans-farnesyl diphosphate
-
ME761404
-
-
-
79
trehalose
-
ME761400
-
-
8.83
179
trehalose-6-Phosphate
-
ME761414
-
-
-
79
UDP-D-glucose
-
ME761435
-
-
9.87
323
UDP-D-glucuronate
-
ME761436
-
-
-
403
UDP-N-acetyl-glucosamine
-
ME761439
-
-
8.95
385
UDP_neg
-
ME761412
-
-
10.24
159
uracil
-
ME761302
-
-
4.03
42.1
Uric acid
Uric acid
ME761342
-
-
6.82
124
uridine
-
ME761376
-
-
4.66
200
UTP_neg
-
ME761428
-
-
12.6
159
xanthine
-
ME761329
-
-
5.8
108
xanthosine
-
ME761389
-
-
6.28
151
Xanthurenic acid
-
ME761367
-
-
5.5
160
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