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Return to study ST000475 main page
Analysis: UHPLC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME154878
535
-
0.74
102.0550
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME154880
119
-
0.76
104.0708
Choline
Choline
ME154888
305
-
0.81
104.1072
DIETHANOLAMINE
Diethanolamine
ME154896
8113
-
0.71
106.0862
CYTOSINE
Cytosine
ME154894
597
-
0.97
112.0504
Isocytosine
2-Amino-4-hydroxypyrimidine
ME154909
66950
-
1.42
112.0505
CREATININE
Creatinine
ME154892
588
-
0.88
114.0663
L-PROLINE
Proline
ME154922
145742
-
0.83
116.0706
BETAINE
Betaine
ME154886
247
-
0.75
118.0861
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME154925
-
-
1.06
118.0861
THREONINE/HOMOSERINE
Threonine/Homoserine
ME154942
-
-
0.72
120.0654
L-CYSTEINE
Cysteine
ME154911
5862
-
0.75
122.0271
PHENETHYLAMINE
Phenylethylamine
ME154939
1001
-
6.85
122.0964
Pyroglutamic Acid
Pyroglutamic acid
ME154941
7405
-
1.67
130.0500
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME154934
122356
-
1.04
131.1179
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME154881
5810
-
0.73
132.0658
CREATINE
Creatine
ME154890
586
-
0.87
132.0766
LEUCINE
Leucine
ME154913
857
-
2.31
132.1018
L-Isoleucine
Isoleucine
ME154916
6306
-
2.02
132.1018
3-UREIDOPROPIONATE
Ureidopropionic acid
ME154879
111
-
1.14
133.0599
N-BOC-L-Aspartic Acid
Aspartic acid
ME154935
99718
-
-
134.0448
Creatine-D3
Creatine
ME154891
-
-
0.86
135.0954
ADENINE
Adenine
ME154882
190
-
1.44
136.0619
Trigonelline
Trigonelline
ME154945
5570
-
0.83
138.0543
L-Leucine 13C6
Leucine
ME154918
-
-
2.31
138.1221
L-Leucine-D10
Leucine
ME154919
16213587
-
2.27
142.1647
L-GLUTAMINE
Glutamine
ME154915
5961
-
0.71
147.0763
L-GLUTAMIC ACID
Glutamic acid
ME154914
33032
-
0.74
148.0606
TRANS-CINNAMATE
trans-Cinnamic acid
ME154943
444539
-
9.76
149.0596
L-METHIONINE
Methionine
ME154920
6137
-
1.31
150.0583
GUANINE
Guanine
ME154904
764
-
1.67
152.0564
Dipropylene glycol
-
ME154899
6510
-
6.32
157.0838
L-CARNITINE
Carnitine
ME154910
10917
-
0.89
162.1127
Diphenylamine
Diphenylamine
ME154898
11487
-
13.68
170.0962
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME154897
668
-
0.71
171.0055
L-Phenylalanine 13C6
Phenylalanine
ME154921
-
-
5.96
172.1062
ALDOPENTOSE
Aldopentose
ME154885
-
-
0.77
173.0418
CYS-GLY
Cys-Gly
ME154893
439498
-
0.89
179.0484
GLUCOSAMINE/MANNOSAMINE
-
ME154901
-
-
0.71
180.0864
Triethyl phosphate
Triethyl phosphate
ME154944
6535
-
9.30
183.0780
PHOSPHOCHOLINE
Choline phosphate
ME154940
1014
-
0.72
184.0735
Tryptophan-NH3
Tryptophan
ME154949
-
-
7.61
188.0707
L-Tyrosine 13C6
Tyrosine
ME154924
-
-
3.09
188.1013
Glycyl-L-leucine
Gly-Leu
ME154903
92843
-
6.66
189.1234
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME154948
-
-
7.61
191.0892
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME154917
439283
-
0.89
191.1025
ALDO/KETO-HEXOSE
Hexose
ME154884
-
-
0.71
203.0527
Tryptophan
Tryptophan
ME154946
6305
-
7.61
205.0976
Tryptophan-2,3,3-D3
Tryptophan
ME154947
-
-
7.61
208.1157
L-Tryptophan 13C11
Tryptophan
ME154923
-
-
7.61
216.1345
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME154930
94214
-
1.00
217.0687
Pantothenic Acid
Pantothenic acid
ME154937
6613
-
6.53
220.1174
Monobutyl phthalate
Monobutylphthalate
ME154931
8575
-
12.40
223.0960
Leu Pro
Leu-Pro
ME154912
-
-
7.26
229.1541
Butyrylcarnitine
CAR 4:0
ME154887
213144
-
7.40
232.1542
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME154932
-
-
0.82
244.0792
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME154902
71920
-
0.74
258.1095
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME154906
-
-
0.72
261.0369
PEG n5
Pentaethylene glycol
ME154938
62551
-
7.03
261.1309
INOSINE
Inosine
ME154908
6021
-
5.86
269.0871
Dibutyl phthalate
Dibutyl phthalate
ME154895
3026
-
14.67
279.1582
GUANOSINE
Guanosine
ME154905
6802
-
6.08
284.0981
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME154933
439197
-
0.79
310.1122
CMP
CMP
ME154889
6131
-
0.98
324.0590
Erucamide
13Z-Docosenamide
ME154900
5365371
-
16.85
338.3418
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME154907
-
-
0.78
365.1056
LysoPE (18:1)
LPE 18:1
ME154928
9547071
-
13.53
480.3077
LysoPE (18:0)
LPE 18:0
ME154927
-
-
14.61
482.3259
LysoPE (20:4)
LPE 20:4
ME154929
-
-
12.89
502.2913
LysoPC (18:2)
LPC 18:2
ME154926
-
-
13.17
520.3387
ALANINE/SARCOSINE
Alanine/Sarcosine
ME154883
-
-
0.71
90.0550
Orthophosphate
Phosphoric acid
ME154936
1061
-
0.71
98.9845
Analysis: UHPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
TAURINE
Taurine
ME154987
1123
-
0.70
124.0075
4-oxoproline
4-Oxo-proline
ME154951
107541
-
1.69
128.0352
CREATINE
Creatine
ME154959
586
-
0.87
130.0621
ASPARTATE
Aspartic acid
ME154953
83887
-
0.71
132.0304
MALATE
Malic acid
ME154980
92824
-
1.04
133.0145
HYPOXANTHINE
Hypoxanthine
ME154971
790
-
1.89
135.0313
L-GLUTAMINE
Glutamine
ME154975
5961
-
0.72
145.0621
L-GLUTAMIC ACID
Glutamic acid
ME154974
33032
-
0.75
146.0457
GUANINE
Guanine
ME154970
764
-
1.38
150.0422
URATE
Uric acid
ME154989
1175
-
1.73
167.0211
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME154960
668
-
0.71
168.9904
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME154969
-
-
0.72
171.0063
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME154983
65065
-
1.37
174.0410
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME154955
-
-
0.75
179.0563
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME154982
185
-
2.04
188.0565
ISOCITRIC ACID
Isocitric acid
ME154973
1198
-
1.08
191.0200
CITRATE
Citric acid
ME154956
311
-
1.78
191.0201
CITRIC ACID-13C6
Citric acid
ME154957
16217547
-
1.79
197.0395
3-tert-Butyladipic acid
Sebacic acid
ME154950
5192
-
9.86
201.1131
Tryptophan-2,3,3-D3
Tryptophan
ME154988
-
-
7.60
206.1010
L-Tryptophan-13C11
Tryptophan
ME154976
-
-
7.61
214.1196
GLUCOSE/FRUCTOSE_R1
Hexose
ME154965
-
-
0.73
215.0333
GLUCOSE/FRUCTOSE_R2
Hexose
ME154966
5793
-
0.73
217.0297
PHOSPHOCHOLINE
Choline phosphate
ME154985
1014
-
0.72
218.0351
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME154963
-
-
0.71
229.0114
Dinoterb (herbicide)
-
ME154961
14994
-
14.31
239.0676
INOSINE
Inosine
ME154972
6021
-
5.87
267.0729
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME154981
20393
-
13.54
277.1441
GLUTATHIONE
Glutathione
ME154967
124886
-
1.47
306.0769
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME154984
439197
-
0.79
308.0990
CMP
CMP
ME154958
6131
-
0.99
322.0453
URIDINE-5-MONOPHOSPHATE
UMP
ME154990
6030
-
1.15
323.0287
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME154964
10267
-
0.71
338.9878
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME154954
-
-
0.79
341.1081
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME154962
-
-
0.76
377.0856
ADP
ADP
ME154952
6022
-
1.02
426.0227
LysoPE (18:1)
LPE 18:1
ME154978
-
-
13.53
478.2943
LysoPE (18:0)
LPE 18:0
ME154977
-
-
14.61
480.3095
LysoPE (20:4)
LPE 20:4
ME154979
-
-
12.97
500.2807
SARCOSINE/BETA-ALANINE
-
ME154986
-
-
0.87
88.0400
GLYCERALDEHYDE/LACTATE
-
ME154968
-
-
1.19
89.0237
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