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Return to study ST002852 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
L-2-aminobutyric acid
2S-Aminobutyric acid
ME742153
80283
-
6.55
104.071
choline
Choline
ME742141
305
-
9.81
104.107
serine
Serine
ME742170
5951
-
8.08
106.05
creatinine
Creatinine
ME742144
588
-
3.96
114.066
proline
Proline
ME742166
614
-
6.01
116.071
betaine
Betaine
ME742138
247
-
5.02
118.086
valine
Valine
ME742172
6287
-
5.76
118.086
threonine
Threonine
ME742171
6288
-
7.13
120.066
nicotinamide
Niacinamide
ME742160
936
-
2.63
123.055
creatine
Creatine
ME742143
586
-
7.43
132.077
leucine / isoleucine
Leucine/Isoleucine
ME742154
6106
-
4.68
132.102
asparagine
Asparagine
ME742137
6267
-
7.82
133.061
ornithine
Ornithine
ME742163
6262
-
11.26
133.097
3-hydroxy-trimethyllysine
-
ME742131
439460
-
4.42
137.072
gamma-butyrobetaine
3-Dehydroxycarnitine
ME742147
725
-
6.47
146.118
lysine
Lysine
ME742155
5962
-
12.34
147.113
methionine
Methionine
ME742156
6137
-
5.12
150.058
carnitine
Carnitine
ME742139
288
-
6.41
162.112
methioninesulfoxide
Methionine sulfoxide
ME742157
158980
-
6.62
166.053
phenylalanine
Phenylalanine
ME742164
6140
-
4.22
166.086
arginine
Arginine
ME742136
6322
-
12.83
175.119
citrulline
Citrulline
ME742142
9750
-
8.28
176.103
phosphocholine
Choline phosphate
ME742165
1014
-
8.18
184.074
N-trimethyllysine
N-6-Trimethyllysine
ME742161
440121
-
11
189.16
kynurenic acid
Kynurenic acid
ME742151
3845
-
2.84
190.05
acetyl-carnitine
CAR 2:0
ME742133
7045767
-
4.81
204.123
kynurenine
Kynurenine
ME742152
846
-
4.67
209.092
propionyl-carnitine
CAR 3:0
ME742167
107738
-
4.07
218.139
cystathionine
Cystathionine
ME742145
834
-
9.19
223.075
gamma-glutamylcysteine
gamma-Glutamylcysteine
ME742148
123938
-
7.64
251.07
glycerophosphocholine
sn-Glycero-3-phosphocholine
ME742149
657272
-
7.18
258.11
ophthalmate
Ophthalmic acid
ME742162
7018721
-
7.07
290.135
AIR
AIR
ME742134
161500
-
7.2
296.064
5'-methylthioadenosine
5'-Methylthioadenosine
ME742132
439176
-
2.38
298.097
riboflavin
Riboflavin
ME742168
493570
-
3.09
377.146
S-adenosyl-methionine
S-Adenosylmethionine
ME742169
34756
-
8.38
399.145
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME742146
3080690
-
9.84
427.095
CDP-choline
CDP-choline
ME742140
13804
-
8.53
489.115
NAD+
NAD
ME742158
5892
-
7.78
664.116
NADP+
NADP
ME742159
5886
-
10.04
744.083
glycine
Glycine
ME742150
750
-
8.13
76.039
alanine
Alanine
ME742135
5950
-
7.43
90.055
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
gamma-amino-butyrate
gamma-Aminobutyric acid
ME742208
119
-
8.1
102.056
hypotaurine
Hypotaurine
ME742223
107812
-
7.6
108.012
fumarate
Fumaric acid
ME742207
444972
-
9.37
115.004
succinate
Succinic acid
ME742254
1110
-
8.82
117.019
cysteine
Cysteine
ME742194
5862
-
8.82
120.012
taurine
Taurine
ME742255
1123
-
7.55
124.007
aspartate
Aspartic acid
ME742183
5960
-
8.3
132.03
malate
Malic acid
ME742228
525
-
9.37
133.014
phosphorylethanolamine
Phosphoethanolamine
ME742242
1015
-
8.97
140.012
alpha-ketoglutarate
2-Oxoglutaric acid
ME742178
51
-
8.97
145.014
glutamine
Glutamine
ME742214
5961
-
7.65
145.062
glutamate
Glutamic acid
ME742213
33032
-
8.1
146.046
hydroxyglutarate
2-Hydroxyglutaric acid
ME742222
43
-
8.77
147.03
trifluoromethanesulfonate
-
ME742256
2758875
-
1.92
148.953
xylulose
Xylulose
ME742266
5289590
-
5.11
149.046
histidine
Histidine
ME742221
6274
-
7.35
154.062
orotate
Orotic acid
ME742234
1492348
-
4.99
155.01
dihydroorotate
4,5-Dihydroorotic acid
ME742198
5461056
-
5.7
157.025
xylonic acid
Xylonic acid
ME742265
6602431
-
6.81
165.04
quinolinic acid
Quinolinic acid
ME742245
1066
-
3.89
166.015
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME742239
1005
-
10.55
166.975
uric acid
Uric acid
ME742262
1175
-
6.81
167.021
dihydroxyacetone-phosphate
Dihydroxyacetone phosphate
ME742199
668
-
8.82
168.991
glyceraldehyde-3-phosphate
Glyceraldehyde 3-phosphate
ME742215
729
-
9.42
168.991
glycerol-3-phosphate
sn-Glycero-3-phosphate
ME742216
754
-
8.56
171.006
cis-aconitate
cis-Aconitic acid
ME742189
643757
-
10.87
173.009
ascorbate
Vitamin C
ME742182
54670067
-
7.62
175.025
carbamoyl-aspartate
Carbamoylaspartate
ME742186
279
-
9.91
175.036
fructose
Fructose
ME742203
2723872
-
6.74
179.056
glucose
Glucose
ME742211
5793
-
7.35
179.056
tyrosine
Tyrosine
ME742258
6057
-
6.24
180.067
sorbitol
Sorbitol
ME742252
5780
-
6.86
181.072
phosphoserine
Phosphoserine
ME742243
68841
-
9.7
184.002
phosphoglycerate
Phosphoglyceric acid
ME742240
439183
-
10.12
184.986
N-acetylglutamate
N-Acetylglutamic acid
ME742231
70914
-
8.06
188.056
citrate / isocitrate
Citric acid/Isocitric acid
ME742190
311
-
11.02
191.02
lauric acid
Lauric acid
ME742227
3893
-
1.65
199.17
tryptophan
Tryptophan
ME742257
6305
-
5.24
203.083
phosphocreatine
Phosphocreatine
ME742238
9548602
-
8.77
210.029
myristic acid
Myristic acid
ME742229
11005
-
1.61
227.202
phosphoribosylamine
Phosphoribosylamine
ME742241
150
-
9.02
228.028
rib/ribul/xylul-ose-phosphate
-
ME742246
439190
-
9.07
229.012
S-(2-Succinyl)-L-cysteine
-
ME742248
-
-
10.39
236.023
cystine
Cystine
ME742195
595
-
8.82
239.017
cytidine
Cytidine
ME742196
6175
-
5.49
242.078
palmitic acid
Palmitic acid
ME742235
985
-
1.56
255.233
AICAR
AICAR
ME742177
90471726
-
12.85
257.089
fructose-1-phosphate
Fructose 1-phosphate
ME742205
65246
-
8.68
259.022
fructose-6-phosphate
Fructose 6-phosphate
ME742206
69507
-
9.37
259.022
glucose-6-phosphate
Glucose 6-phosphate
ME742212
5958
-
9.96
259.022
inosine
Inosine
ME742225
135398641
-
4.99
267.073
6-phosphogluconic acid
6-Phosphogluconic acid
ME742173
91493
-
10.82
275.017
saccharopine
Saccharopine
ME742249
160556
-
8.87
275.125
oleic acid
Oleic acid
ME742233
445639
-
1.56
281.249
guanosine
Guanosine
ME742220
135398635
-
6.08
282.084
stearic acid
Stearic acid
ME742253
5281
-
1.56
283.264
GAR
GAR
ME742209
160913
-
6.91
285.049
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME742251
22833559
-
9.48
289.033
argininosuccinate
Argininosuccinic acid
ME742181
439998
-
9.7
289.115
phosphatidylethanolamine
-
ME742237
5327011
-
8.82
298.07
N-acetylglucosamine-phosphate
N-Acetyl-glucosamine 6-phosphate
ME742230
439219
-
8.45
300.049
GSH
Glutathione
ME742217
124886
-
7.51
306.077
arachidic acid
Arachidic acid
ME742180
10467
-
1.52
311.296
FGAR
FGAR
ME742202
130805
-
8.74
313.044
dTMP
dTMP
ME742200
9700
-
6.98
321.049
CMP
CMP
ME742191
6131
-
8.71
322.045
UMP
UMP
ME742261
6030
-
8.69
323.029
CAIR
CAIR
ME742185
165388
-
3.93
338.039
fructose-1;6-bisphosphate
-
ME742204
10267
-
11.18
338.989
AMP
AMP
ME742179
6083
-
6.98
346.056
IMP
IMP
ME742224
135398640
-
8.84
347.04
XMP
XMP
ME742264
10287649
-
10.97
363.035
S-adenosyl-homocysteine
S-Adenosylhomocysteine
ME742250
439155
-
6.59
383.114
CDP
CDP
ME742187
6132
-
10.18
402.011
S-(1;2-Dicarboxyethyl)glutathione
-
ME742247
329770102
-
11.45
422.087
ADP
ADP
ME742176
6022
-
8.77
426.022
GDP
GDP
ME742210
135398619
-
10.87
442.017
CDP-ethanolamine
CDP-Ethanolamine
ME742188
123727
-
9.43
445.053
adenylosuccinic acid
Adenylsuccinic acid
ME742175
447145
-
11.29
462.067
dCTP
dCTP
ME742197
65091
-
10.36
465.982
dTTP
dTTP
ME742201
64968
-
9.36
480.982
CTP
CTP
ME742193
6176
-
11.22
481.977
UTP
UTP
ME742263
6133
-
10.87
482.961
ATP
ATP
ME742184
5957
-
9.8
505.988
GTP
GTP
ME742219
135398633
-
11.82
521.983
UDP-glucuronic acid
UDP-glucuronic acid
ME742259
17473
-
11.78
579.027
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME742260
445675
-
8.77
606.074
GSSG
Oxidized glutathione
ME742218
65359
-
10.55
611.145
NADH
NADH
ME742232
439153
-
7.44
664.118
CoA
Coenzyme A
ME742192
87642
-
7.76
766.108
acetyl-CoA
Acetyl-CoA
ME742174
444493
-
6.75
808.119
pyruvate
Pyruvic acid
ME742244
1060
-
3.58
87.009
lactate
Lactic acid
ME742226
612
-
4.41
89.024
phosphate
Phosphoric acid
ME742236
1004
-
7.11
96.97
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