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Return to study ST000702 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
(S)-3-METHYL-2-OXOPENTANOATE (M-H)-
3-Methyl-2-oxovaleric acid
ME199090
47
-
4.253
130.0632
4-METHYL-2-OXOPENTANOATE (M-H)-
Ketoleucine
ME199099
70
-
4.658
130.063
4-HYDROXYBENZOATE (M-H)-
4-Hydroxybenzoic acid
ME199098
135
-
4.099
138.0315
5-AMINOPENTANOATE (M-H)-
5-Aminopentanoic acid
ME199100
138
-
0.74
117.0782
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME199133
227
-
5.335
138.0447
SALICYLATE (M-H)-
Salicylic acid
ME199157
338
-
8.214
138.0316
PIMELIC ACID (M-H)-
Pimelic acid
ME199151
385
-
5.666
160.0733
GLUTARATE (M-H)-
Glutaric acid
ME199121
743
-
2.036
132.0422
OROTATE (M-H)-
Orotic acid
ME199146
967
-
0.814
156.0161
OXALOACETATE (M-H)-[-H2O]
Oxaloacetic acid
ME199147
970
-
0.589
132.0038
PALMITATE (M-H)-
Palmitic acid
ME199148
985
-
22.853
256.2405
PHTHALATE (M-H)-
Phthalic acid
ME199150
1017
-
4.792
166.0249
PURINE (M-H)-
Purine
ME199154
1044
-
1.505
120.0435
PYRUVATE (M-H)-
Pyruvic acid
ME199155
1060
-
0.741
88.017
SUCCINATE (M-H)-
Succinic acid
ME199161
1110
-
1.304
118.0269
XANTHINE (M-H)-
Xanthine
ME199171
1188
-
1.264
152.0336
GLYCEROL 2-PHOSPHATE (M-H)-
sn-Glycero-2-phosphate
ME199123
2526
-
0.676
172.0146
LAURIC ACID (M-H)-
Lauric acid
ME199134
3893
-
21.772
200.1779
SEBACIC ACID (M-H)-
Sebacic acid
ME199158
5192
-
12.94
202.1205
STEARATE (M-H)-
Stearic acid
ME199160
5281
-
23.193
284.2722
CORTISOL (M+CL)-
Cortisol
ME199107
5754
-
13.789
362.2094
THYMIDINE (M+CL)-
Thymidine
ME199162
5789
-
2.735
242.0898
GLUCOSE (M+CL)-
Glucose
ME199118
5793
-
0.668
180.0651
D-GLUCOSE 6-PHOSPHATE (M-H)-
Glucose 6-phosphate
ME199108
5958
-
0.712
260.0302
ASPARTATE (M-H)-
Aspartic acid
ME199104
5960
-
0.661
133.0378
LYSINE (M-H)-
Lysine
ME199139
5962
-
0.585
146.1052
INOSINE (M-H)-
Inosine
ME199129
6021
-
1.835
268.0814
URIDINE (M-H)-
Uridine
ME199168
6029
-
1.366
244.0716
URIDINE-5-MONOPHOSPHATE (M-H)-
UMP
ME199169
6030
-
0.857
324.0364
EDTA (M-H)-
Edetic acid
ME199111
6049
-
1.205
292.0908
TYROSINE (M-H)-
Tyrosine
ME199166
6057
-
1.355
181.0736
LEUCINE (M-H)-
Leucine
ME199135
6106
-
1.542
131.0945
MANNITOL (M-H)-
Mannitol
ME199140
6251
-
0.674
182.079
VALINE (M-H)-
Valine
ME199170
6287
-
0.757
117.0782
ISOLEUCINE (M-H)-
Isoleucine
ME199131
6306
-
1.514
131.0945
GIBBERELLIC ACID [ISTD] (M+CL)-
Gibberellin A3
ME199116
6466
-
8.49
346.1414
GIBBERELLIC ACID [ISTD] (M-H)-
Gibberellin A3
ME199117
6466
-
8.493
346.1421
GUANOSINE 5'-PHOSPHATE (M-H)-
GMP
ME199125
6804
-
0.996
363.0519
3-HYDROXYBENZOATE (M-H)-
3-Hydroxybenzoic acid
ME199097
7420
-
5.05
138.0316
BEHENIC ACID (M-H)-
Behenic acid
ME199105
8215
-
24.09
340.3335
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME199130
8582
-
0.991
348.0498
3-(4-HYDROXYPHENYL)LACTATE (M-H)-
Hydroxyphenyllactic acid
ME199096
9378
-
3.802
182.0577
GLYCOCHOLATE (M-H)-
Glycocholic acid
ME199124
10140
-
18.843
465.3081
HEPTADECANOATE (M-H)-
Margaric acid
ME199126
10465
-
23.025
270.2555
HEXACOSANOIC ACID (M-H)-
Cerotic acid
ME199127
10469
-
25.642
396.396
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME199136
11197
-
24.748
368.3651
DEOXYURIDINE (M+HCOO)-
Deoxyuridine
ME199109
13712
-
1.648
228.0733
TRICARBALLYLIC ACID (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME199165
14925
-
1.327
176.0302
ADPGLUCOSE (M-H)-
ADP-glucose
ME199103
16500
-
1.025
589.0807
GDPMANNOSE (M-H)-
GDP-mannose
ME199115
18396
-
0.863
605.0748
GLUTAMATE (M-H)-
Glutamic acid
ME199120
33032
-
0.663
147.0525
ADP-RIBOSE (M-H)-
ADP-ribose
ME199102
33576
-
0.734
559.0684
ADENOSINE (M+HCOO)-
Adenosine
ME199101
60961
-
1.794
267.0962
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME199122
65359
-
1.36
612.1521
XANTHOSINE 5'-PHOSPHATE (M-H)-
XMP
ME199172
73323
-
1.028
364.043
N-ACETYL-L-PHENYLALANINE (M-H)-
N-Acetylphenylalanine
ME199144
74839
-
7.683
207.0889
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME199143
88064
-
1.503
131.0581
GLUCURONIC ACID (M-H)-
Glucuronic acid
ME199119
94715
-
0.679
194.0406
N-ACETYLNEURAMINATE (M-H)-
N-Acetylneuraminic acid
ME199145
439197
-
0.688
309.1066
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME199094
439268
-
0.882
164.068
SN-GLYCERO-3-PHOSPHOCHOLINE (M+HCOO)-
sn-Glycero-3-phosphocholine
ME199159
439285
-
0.715
257.1005
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...
Mimosine
ME199089
440473
-
0.679
198.0628
TRANS-ACONITATE (M-H)-
trans-Aconitic acid
ME199164
444212
-
1.131
174.0165
RETINOATE (M-H)-
Retinoic acid
ME199156
444795
-
22.26
300.2098
FUMARATE (M-H)-
Fumaric acid
ME199114
444972
-
1.265
116.0111
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME199110
445580
-
22.706
328.2408
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME199149
445638
-
22.6
254.2251
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetylglucosamine
ME199141
446101
-
0.684
221.0916
N-ACETYL-DL-METHIONINE (M-H)-
N-Acetylmethionine
ME199142
448580
-
4.038
191.0613
FLAVIN ADENINE DINUCLEOTIDE (M-H)-
FAD
ME199113
643975
-
6.348
785.1568
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME199095
853180
-
3.456
118.0626
(S)-DIHYDROOROTATE (M-H)-
4,5-Dihydroorotic acid
ME199091
1149667
-
0.712
158.0344
PROSTAGLANDIN E2 (M+CL)-
PGE2
ME199152
5280360
-
16.766
352.2251
PROSTAGLANDIN E2 (M-H)-[-H2O]
PGE2
ME199153
5280360
-
16.768
352.2243
LINOLEATE (M-H)-
Linoleic acid
ME199137
5280450
-
22.732
280.2409
ERUCIC ACID (M-H)-
cis-Erucic acid
ME199112
5281116
-
23.668
338.3181
CIS-VACCENIC ACID (M-H)-
cis-Vaccenic acid
ME199106
5282761
-
22.966
282.2562
1-OLEOYL-RAC-GLYCEROL (M+HCOO)-
MG 18:1
ME199092
5283468
-
22.701
356.2902
HYODEOXYCHOLATE (M-H)-
Hyodeoxycholic acid
ME199128
5283820
-
22.909
392.295
LUMICHROME (M-H)-
Lumichrome
ME199138
5326566
-
10.934
242.0802
18:0 LYSO-PE (M-H)-
LPE 18:0
ME199093
9547068
-
22.679
481.3164
THYMIDINE 5'-MONOPHOSPHATE (M-H)-
TMP
ME199163
12803287
-
1.529
322.0583
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME199132
16217285
-
3.633
206.0843
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]
UDP-N-acetylgalactosamine
ME199167
23724461
-
1.025
607.0926
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME199177
101
-
4.795
122.0368
5-AMINOPENTANOATE (M+H)+
5-Aminopentanoic acid
ME199179
138
-
0.733
117.0783
CHOLINE M+
Choline
ME199190
305
-
0.657
104.1065
CITRATE (M+NA)+
Citric acid
ME199192
311
-
1.053
192.027
1-METHYLNICOTINAMIDE M+
1-Methyl nicotinamide
ME199173
457
-
0.67
137.07
HIPPURATE (M+H)+
Hippuric acid
ME199207
464
-
4.796
179.0585
CREATINE (M+H)+
Creatine
ME199195
586
-
0.693
131.0687
CREATININE (M+H)+
Creatinine
ME199196
588
-
0.688
113.0583
SERINE (M+H)+
Serine
ME199244
617
-
1.017
105.0415
GUANINE (M+H)+
Guanine
ME199205
764
-
0.928
151.0507
NORADRENALINE (M+H)+
Xi-Norepinephrine
ME199229
951
-
0.721
169.0724
CHOLINE PHOSPHATE (M+NA)+
Choline phosphate
ME199191
1014
-
0.644
183.0651
ETHANOLAMINE PHOSPHATE (M+NA)+
Phosphoethanolamine
ME199200
1015
-
0.759
141.0193
PYRIDOXAMINE (M+H)+
Pyridoxamine
ME199240
1052
-
0.582
168.0869
SPERMIDINE (M+H)+
Spermidine
ME199246
1102
-
0.584
145.1577
TAURINE (M+NA)+
Taurine
ME199249
1123
-
0.654
125.0133
THIAMIN M+[-C6H9NOS]
Thiamine
ME199251
1130
-
0.659
265.1104
AZELAIC ACID (M+H)+[-H2O]
Azelaic acid
ME199184
2266
-
10.751
188.1035
DECANOATE (2M+NA)+
Capric acid
ME199197
2969
-
22.761
172.1459
N-METHYL-D-ASPARTIC ACID (M+NA)+
N-Methyl-D-aspartic acid
ME199225
4376
-
0.655
147.0525
CORTISOL (M+H)+
Cortisol
ME199193
5754
-
13.827
362.2067
CORTISOL (M+NA)+
Cortisol
ME199194
5754
-
13.824
362.2067
NAD (M+2H)+2
NAD
ME199226
5893
-
1.057
663.1097
NAD (M+H)+
NAD
ME199227
5893
-
1.047
663.1084
NAD (M+NA)+
NAD
ME199228
5893
-
1.054
663.1057
LYSINE (M+H)+
Lysine
ME199217
5962
-
0.563
146.1055
LYSINE (M+NA)+
Lysine
ME199218
5962
-
0.582
146.1046
PROGESTERONE (M+H)+
Progesterone
ME199237
5994
-
19.497
314.2231
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME199189
5997
-
24.632
386.3551
URIDINE-5-MONOPHOSPHATE (M+H)+
UMP
ME199255
6030
-
0.871
324.0342
TYROSINE (M+H)+
Tyrosine
ME199253
6057
-
1.351
181.0721
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME199182
6083
-
1.014
347.0599
PHENYLALANINE (M+H)+
Phenylalanine
ME199236
6140
-
2.389
165.0787
ORNITHINE (M+H)+
Ornithine
ME199233
6262
-
0.562
132.0898
L-HISTIDINE (M+H)+
Histidine
ME199215
6274
-
0.647
155.0682
TRYPTOPHAN (M+H)+
Tryptophan
ME199252
6305
-
3.655
204.0878
ISOLEUCINE (M+H)+
Isoleucine
ME199210
6306
-
1.523
131.0942
L-ARGININE (M+H)+
Arginine
ME199213
6322
-
0.643
174.1103
L-ARGININE (M+NA)+
Arginine
ME199214
6322
-
0.629
174.111
GIBBERELLIC ACID [ISTD] (2M+NA)+
Gibberellin A3
ME199202
6466
-
8.518
346.1397
PANTOTHENATE (M+H)+
Pantothenic acid
ME199234
6613
-
3.255
219.1108
PANTOTHENATE (M+NA)+
Pantothenic acid
ME199235
6613
-
3.254
219.1112
GUANOSINE (M+H)+
Guanosine
ME199206
6802
-
1.86
283.0921
BIS(2-ETHYLHEXYL)PHTHALATE (M+NA)+
Bis(2-ethylhexyl)phthalate
ME199186
8343
-
23.13
390.2776
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME199208
8582
-
0.991
348.0504
INOSINE 5'-PHOSPHATE (M+NA)+
IMP
ME199209
8582
-
0.989
348.0464
SUBERIC ACID (M+NA)+
Suberic acid
ME199248
10457
-
8.256
174.0917
CARNITINE (M+H)+
Carnitine
ME199188
10917
-
0.677
161.1032
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME199183
14985
-
24.537
430.3775
GLUTAMATE (M+H)+[-H2O]
Glutamic acid
ME199203
33032
-
0.665
147.0527
ADENOSINE (M+H)+
Adenosine
ME199181
60961
-
1.803
267.0964
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME199221
65249
-
0.926
147.0532
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME199204
65359
-
1.364
612.1531
O-PHOSPHOSERINE (M+NA)+
DL-O-Phosphoserine
ME199230
68841
-
0.648
185.007
N-ACETYL-L-LEUCINE (M+NA)+
N-Acetylleucine
ME199223
75619
-
7.15
173.1071
RAC-GLYCEROL 1-MYRISTATE (M+H)+[-H2O]
MG 14:0
ME199241
79050
-
22.147
302.245
RAC-GLYCEROL 1-MYRISTATE (M+NA)+
MG 14:0
ME199242
79050
-
22.171
302.2461
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME199174
80220
-
2.514
166.0478
N-ACETYL-L-ALANINE (M+NA)+
N-Acetylalanine
ME199222
88064
-
1.392
131.0573
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+
gamma-Glutamylcysteine
ME199201
123938
-
1.006
250.0601
KYNURENINE (M+H)+
Kynurenine
ME199212
161166
-
2.229
208.083
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME199211
169235
-
4.592
245.1616
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME199187
213144
-
2.962
231.147
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME199243
439155
-
1.554
384.1191
5'-METHYLTHIOADENOSINE (M+NA)+
5'-Methylthioadenosine
ME199178
439176
-
4.512
297.0902
N-ACETYLNEURAMINATE (M+H)+
N-Acetylneuraminic acid
ME199224
439197
-
0.689
309.1022
MANNOSE-6-PHOSPHATE (M+NA)+
Mannose 6-phosphate
ME199219
439198
-
0.72
260.0279
5-HYDROXYTRYPTOPHAN (M+H)+
5-Hydroxy-tryptophan
ME199180
439280
-
1.801
220.0847
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME199245
439285
-
0.671
257.1017
OLEIC ACID (M+NA)+
Oleic acid
ME199232
445639
-
22.528
282.2561
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]
N-Acetylmethionine
ME199220
448580
-
4.049
191.0599
ELAIDIC ACID (M+H)+
Elaidic acid
ME199199
637517
-
22.95
282.2553
BILIVERDIN (M+H)+
Biliverdin
ME199185
5280353
-
18.657
582.2518
PROSTAGLANDIN E2 (M+H)+
PGE2
ME199238
5280360
-
16.772
352.2203
PROSTAGLANDIN E2 (M+H)+[-H2O]
PGE2
ME199239
5280360
-
16.8
352.2238
OLEAMIDE (M+H)+
Oleamide
ME199231
5283387
-
22.643
281.2699
1-OLEOYL-RAC-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME199175
5283468
-
22.66
356.2918
1-OLEOYL-RAC-GLYCEROL (M+NA)+
MG 18:1
ME199176
5283468
-
22.738
356.2929
DGMP (M+H)+
dGMP
ME199198
6994968
-
1.319
347.0597
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME199216
16217285
-
3.656
206.0849
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME199250
22833575
-
18.823
370.2918
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
UDP-N-acetylgalactosamine
ME199254
23724461
-
0.841
607.0797
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME199247
52922056
-
21.855
427.3652
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