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Return to study ST002121 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
Ethylmethylacetic acid
-
ME516275
-
-
2.1
103.08
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME516187
-
-
0.98
104.13
Choline
Choline
ME516251
-
-
0.96
105.1
Cytosine
Cytosine
ME516258
-
-
0.76
112.05
Histamine
Histamine
ME516222
-
-
0.76
112.09
Uracil
Uracil
ME516262
-
-
1.91
113.1
L-Proline
Proline
ME516188
-
-
1.06
116.14
L-Valine
Valine
ME516194
-
-
1.34
118.09
Norvaline
Norvaline
ME516280
-
-
1.34
118.09
Guanidineacetic acid
Guanidoacetic acid
ME516184
-
-
1.35
118.12
Betaine
Betaine
ME516219
-
-
0.99
118.16
2,4-Diaminobutyric acid
2,4-Diaminobutyric acid
ME516169
-
-
2.1
119.11
Isonicotinic acid
Isonicotinic acid
ME516206
-
-
1.61
124.12
Nicotinic acid
Nicotinic acid
ME516180
-
-
1.6
124.12
Pyrogallol
1,2,3-Trihydroxybenzene
ME516269
-
-
2.73
127.04
Thymine
Thymine
ME516226
-
-
2.73
127.12
Pyroglutamic acid
Pyroglutamic acid
ME516281
-
-
1.39
130.05
Pipecolic acid
Pipecolic acid
ME516282
-
-
1.39
130.09
5-Aminolevulinic acid
5-Amino-levulinic acid
ME516231
-
-
1.04
132.07
Creatine
Creatine
ME516252
-
-
1.06
132.08
L-Norleucine
Norleucine
ME516174
-
-
2.45
132.1
6-Aminocaproic acid
6-Aminocaproic acid
ME516196
-
-
1.05
132.11
3-Guanidinopropionic acidÂ
3-Guanidinopropanoic acid
ME516236
-
-
1.06
132.14
Trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME516200
-
-
2.22
132.14
Isoleucine
Isoleucine
ME516171
-
-
2.48
132.18
L-Leucine
Leucine
ME516191
-
-
2.42
132.18
L-Asparagine
Asparagine
ME516177
-
-
1.58
133.06
L-Ornithine
Ornithine
ME516284
-
-
2.18
133.1
L-Aspartic acid
Aspartic acid
ME516193
-
-
1.18
134.11
L-Homocysteine
Homocysteine
ME516214
-
-
2.05
136.05
Adenine
Adenine
ME516264
-
-
2.84
136.1
Hypoxanthine
Hypoxanthine
ME516253
-
-
1.64
137
Spermidine
Spermidine
ME516254
-
-
0.77
146.17
L-Glutamine
Glutamine
ME516283
-
-
0.79
147.08
Acetylcholine
Acetylcholine
ME516173
-
-
1.06
147.13
L-Lysine
Lysine
ME516225
-
-
0.79
147.2
L-Methionine
Methionine
ME516190
-
-
1.55
150.22
5-aminosalicylic acid
-
ME516232
-
-
2.91
154.15
Dopamine
Dopamine
ME516205
-
-
1.73
154.15
L-Histidine
Histidine
ME516189
-
-
1.35
156.16
Pelargonic acid
Pelargonic acid
ME516277
-
-
12.31
159.14
Tryptamine
Tryptamine
ME516223
-
-
6.46
161.23
Aminoadipic acid
Aminoadipic acid
ME516279
-
-
1.08
162.08
L-Carnitine hydrochloride
-
ME516230
-
-
0.99
162.1
N-Acetyl-L-cysteine
N-Acetylcysteine
ME516207
-
-
2.01
164.2
L-Phenylalanine
Phenylalanine
ME516192
-
-
4.48
166.2
Ethyl 4-hydroxybenzoate
-
ME516257
-
-
12.38
167.18
Pyridoxal
Pyridoxal
ME516186
-
-
1.49
168.13
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME516270
-
-
1.49
168.99
L-Cysteic acid
Cysteic acid
ME516185
-
-
0.96
170.17
L-Arginine
Arginine
ME516224
-
-
0.95
175.21
Indole-3-acetic acid
Indoleacetic acid
ME516221
-
-
10.03
176.1
L-Citrulline
Citrulline
ME516176
-
-
0.98
176.2
Serotonin
Serotonin
ME516228
-
-
3.86
177.19
Glucosamine
Glucosamine
ME516259
-
-
0.75
180.09
Hippuric acid
Hippuric acid
ME516195
-
-
7.01
180.16
p-Hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME516265
-
-
9.23
181.05
Normetanephrine
Normetanephrine
ME516178
-
-
1.3
184.1
3-Indoleacrylic acid
Indoleacrylic acid
ME516267
-
-
10.89
188.07
N-Acetylglutamine
N-Acetylglutamine
ME516218
-
-
1.44
189.19
Indole-3-propionic acid
3-Indolepropionic acid
ME516201
-
-
11.38
190.22
N-Acetyl-L-methionine
N-Acetylmethionine
ME516181
-
-
6.16
192.26
2-Methylhippuric acid
2-Methylhippuric acid
ME516268
-
-
7.71
194.08
Salicyluric acid
Salicyluric acid
ME516278
-
-
8.35
196.06
5-Dodecenoic acid
5-Dodecenoic acid
ME516274
-
-
13.23
199.17
Indolepyruvic acid
Indolepyruvate
ME516266
-
-
8.41
204.07
Acetylcarnitine
CAR 2:0
ME516238
-
-
1.51
204.21
Tryptophan
Tryptophan
ME516263
-
-
5.87
205.1
Lipoamide
Lipoamide
ME516240
-
-
9.8
206.35
3-Phenylpropionylglycine
3-Phenylpropionylglycine
ME516175
-
-
9.11
208.24
L-Kynurenine
Kynurenine
ME516179
-
-
4.27
209.22
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME516242
-
-
3.89
221.23
3-Isobutyl-1-methylxanthine
-
ME516244
-
-
10.12
223.25
Deoxycytidine
Deoxycytidine
ME516204
-
-
1.49
228.23
2'-Deoxyuridine
Deoxyuridine
ME516199
-
-
2.74
229.2
Cytidine
Cytidine
ME516217
-
-
1.37
244.23
Biotin
Biotin
ME516212
-
-
7.46
245.32
Pyridoxal 5'-phosphate
Pyridoxal 5'-phosphate
ME516220
-
-
1.68
248.15
2-Deoxyadenosine
Deoxyadenosine
ME516210
-
-
3.16
252.1
Daidzein
Daidzein
ME516237
-
-
11.65
255.07
5-Methylcytidine
5-Methylcytidine
ME516183
-
-
1.61
258.25
Hexanoylcarnitine
CAR 6:0
ME516234
-
-
8.7
260.1
Thiamine
Thiamine
ME516255
-
-
1
266.12
Adenosine
Adenosine
ME516213
-
-
2.86
268.25
2-Deoxyguanosine
Deoxyguanosine
ME516203
-
-
3.76
268.27
Inosine
Inosine
ME516256
-
-
3.27
269.09
Trimethoprim
Trimethoprim
ME516216
-
-
6.05
291.3
Sphinganine
Sphinganine
ME516241
-
-
13.04
302.52
Arachidonic acid
Arachidonic acid
ME516276
-
-
14.1
305.25
2'-Deoxycytidine 5'-monophosphate
dCMP
ME516246
-
-
1.1
308.07
Reduced glutathione
Glutathione
ME516208
-
-
1.78
308.09
Cytidine monophosphate
CMP
ME516211
-
-
1.19
324.21
Uridine 5'-monophosphate
UMP
ME516247
-
-
1.17
325.05
cAMP
3',5' cyclic AMP
ME516249
-
-
3.26
330.22
Eupatorin
-
ME516170
-
-
13.27
345.33
2'-Deoxyguanosine 5'-monophosphate
dGMP
ME516245
-
-
1.66
348.07
Adenosine 5'-monophosphate
AMP
ME516239
-
-
1.42
348.07
Inosine-5'-monophosphate
IMP
ME516215
-
-
1.46
349.06
Guanosine 5'-monophosphate
GMP
ME516260
-
-
1.46
364.07
S-(5'-Adenosyl)-L-homocysteine
S-Adenosylhomocysteine
ME516248
-
-
1.87
385.1
Cholesterol
Cholesterol
ME516197
-
-
12.79
387.3
Fmoc-cys(tbu)-OH
-
ME516229
-
-
13.3
400.16
Palmitoyl-l-carnitine
CAR 16:0
ME516235
-
-
13.3
400.34
Dehydrocholic acid
Dehydrocholic acid
ME516271
-
-
12.15
403.25
Beta-Sitosterol
Sitosterol
ME516198
-
-
13.14
415.72
Adenylosuccinic acid
Adenylsuccinic acid
ME516233
-
-
3.99
464.08
Taurolithocholic acid
Taurolithocholic acid
ME516272
-
-
14.43
484.31
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME516273
-
-
11.8
500.31
ATP
ATP
ME516209
-
-
3.11
508.01
Oxidized glutathione
Oxidized glutathione
ME516243
-
-
1.76
613.2
Cyanocobalamin
Cyanocobalamin
ME516250
-
-
6.78
678.5
Trimethylamine N-oxide
Trimethylamine N-oxide
ME516182
-
-
1
76.15
2-Aminoimidazole
-
ME516172
-
-
1.45
84.06
Putrescine
Putrescine
ME516227
-
-
1.77
89.08
Sarcosine
Sarcosine
ME516202
-
-
1.03
90.06
Alanine
Alanine
ME516261
-
-
1.07
90.1
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Malonic acid
Malonic acid
ME516296
-
-
2.29
103
Fumarate
Fumaric acid
ME516310
-
-
1.84
115
Maleic acid
Maleic acid
ME516299
-
-
1.88
115
Methylmalonic acid
Methylmalonic acid
ME516291
-
-
2.11
117.02
Succinic acid
Succinic acid
ME516313
-
-
2.09
117.02
Citraconic acid
Citraconic acid
ME516290
-
-
1.73
129.09
Glutaric acid
Glutaric acid
ME516322
-
-
3.74
131.03
Malic acid
Malic acid
ME516311
-
-
1.25
133.01
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME516292
-
-
6.46
137.02
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME516297
-
-
6.46
137.02
Citramalic acid
Citramalic acid
ME516321
-
-
2.15
147.03
Allantoin
Allantoin
ME516303
-
-
1.01
157.03
2-hydroxy-2-phenylpropanoic acid
-
ME516316
-
-
6.91
165.05
3-Hydroxyphenylpropionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME516318
-
-
7.08
165.05
Phenyllactic acid
Phenyllactic acid
ME516320
-
-
8.52
165.05
p-Hydroxyphenylpropionic acid
-
ME516317
-
-
6.91
165.05
Cis-Aconitic acid
cis-Aconitic acid
ME516307
-
-
1.73
173
D-Fructose
Fructose
ME516312
-
-
1.51
179.05
Glucose
Glucose
ME516315
-
-
1.51
179.05
Azelaic acid
Azelaic acid
ME516298
-
-
9.8
187.1
N-Acetylglutamic acid
N-Acetylglutamic acid
ME516302
-
-
1.83
188.05
Isocitric acid
Isocitric acid
ME516288
-
-
1.64
191.02
Citrate
Citric acid
ME516285
-
-
1.63
191.11
Gluconic acid
Gluconic acid
ME516314
-
-
1
195.05
Sebacic acid
Sebacic acid
ME516301
-
-
11.11
201.1
Cinnamoylglycine
Cinnamoylglycine
ME516287
-
-
9.53
204.06
Indoxyl sulfate
Indoxyl sulfate
ME516305
-
-
6.59
212
Uridine
Uridine
ME516293
-
-
1.88
243.1
N-Acetyl-L-tryptophan
N-Acetyl-tryptophan
ME516300
-
-
9.06
245.09
2'-Deoxyinosine
Deoxyinosine
ME516306
-
-
3.88
251.1
D-Glucose 6-phosphate
Glucose 6-phosphate
ME516308
-
-
1.02
259.02
dUMP
dUMP
ME516304
-
-
1.47
307.03
Docosahexaenoic acid
Docosahexaenoic acid
ME516319
-
-
14.98
327.23
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME516289
-
-
12.39
498.29
Taurocholic acid
Taurocholic acid
ME516286
-
-
10.94
514.28
Flavin adenine dinucleotide
FAD
ME516309
-
-
6.23
784.15
Oxalic acid
Oxalic acid
ME516295
-
-
1.51
89
L-Lactate
Lactic acid
ME516294
-
-
1.51
89.02
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