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Return to study ST001939 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
Fumarate
Fumaric acid
ME445028
-
-
1.72
115
Methylmalonic acid
Methylmalonic acid
ME445019
-
-
1.8
117.02
Succinic acid
Succinic acid
ME445030
-
-
1.81
117.02
Glutaric acid
Glutaric acid
ME445033
-
-
3.37
131.03
Malic acid
Malic acid
ME445029
-
-
1.11
133.01
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME445020
-
-
6.12
137.02
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME445022
-
-
6.12
137.02
Citramalic acid
Citramalic acid
ME445032
-
-
1.88
147.03
Phenyllactic acid
Phenyllactic acid
ME445031
-
-
8.15
165.05
Cis-Aconitic acid
cis-Aconitic acid
ME445026
-
-
1.54
173
Azelaic acid
Azelaic acid
ME445023
-
-
9.45
187.1
N-Acetylglutamic acid
N-Acetylglutamic acid
ME445025
-
-
1.64
188.05
Isocitric acid
Isocitric acid
ME445018
-
-
1.47
191.02
Citrate
Citric acid
ME445017
-
-
1.48
191.11
Sebacic acid
Sebacic acid
ME445024
-
-
10.77
201.1
Flavin adenine dinucleotide
FAD
ME445027
-
-
6.03
784.15
L-Lactate
Lactic acid
ME445021
-
-
1.35
89.02
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
-
ME445104
-
-
1.82
103.08
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME445045
-
-
0.91
104.13
Choline
Choline
ME445089
-
-
1.43
105.1
Histamine
Histamine
ME445072
-
-
1.09
112.09
Uracil
Uracil
ME445098
-
-
1.3
113.1
L-Proline
Proline
ME445046
-
-
0.95
116.14
L-Valine
Valine
ME445053
-
-
1.26
118.09
Norvaline
Norvaline
ME445108
-
-
1.25
118.09
Guanidineacetic acid
Guanidoacetic acid
ME445043
-
-
1.26
118.12
Betaine
Betaine
ME445070
-
-
0.9
118.16
2,4-Diaminobutyric acid
2,4-Diaminobutyric acid
ME445034
-
-
1.82
119.11
L-Homoserine
Homoserine
ME445036
-
-
1.08
120.07
Isonicotinic acid
Isonicotinic acid
ME445059
-
-
1.32
124.12
Nicotinic acid
Nicotinic acid
ME445041
-
-
1.32
124.12
Pyrogallol
1,2,3-Trihydroxybenzene
ME445102
-
-
2.47
127.04
Thymine
Thymine
ME445075
-
-
2.46
127.12
Pyroglutamic acid
Pyroglutamic acid
ME445109
-
-
1.64
130.05
Pipecolic acid
Pipecolic acid
ME445110
-
-
1.63
130.09
Agmatine
Agmatine
ME445095
-
-
1.06
131.1
5-Aminolevulinic acid
5-Amino-levulinic acid
ME445078
-
-
1.05
132.07
Creatine
Creatine
ME445090
-
-
2.03
132.08
L-Norleucine
Norleucine
ME445038
-
-
2.42
132.1
3-Guanidinopropionic acid?
3-Guanidinopropanoic acid
ME445081
-
-
1.06
132.14
Trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME445056
-
-
2.2
132.14
Isoleucine
Isoleucine
ME445035
-
-
2.42
132.18
L-Leucine
Leucine
ME445049
-
-
2.41
132.18
L-Ornithine
Ornithine
ME445112
-
-
2.18
133.1
his
Histidine
ME445052
-
-
2.28
134.11
L-Homocysteine
Homocysteine
ME445066
-
-
1.02
136.05
Adenine
Adenine
ME445100
-
-
1.23
136.1
Hypoxanthine
Hypoxanthine
ME445091
-
-
1.45
137
Spermidine
Spermidine
ME445092
-
-
0.67
146.17
L-Glutamine
Glutamine
ME445111
-
-
1.47
147.08
Acetylcholine
Acetylcholine
ME445037
-
-
1.39
147.13
L-Lysine
Lysine
ME445074
-
-
1.47
147.2
L-Glutamate
Glutamic acid
ME445051
-
-
0.91
148.06
L-Methionine
Methionine
ME445048
-
-
1.43
150.22
5-aminosalicylic acid
-
ME445079
-
-
1.54
154.15
Dopamine
Dopamine
ME445058
-
-
1.55
154.15
L-Histidine
Histidine
ME445047
-
-
1.32
156.16
Tryptamine
Tryptamine
ME445073
-
-
6.23
161.23
Aminoadipic acid
Aminoadipic acid
ME445107
-
-
0.97
162.08
L-Carnitine hydrochloride
Carnitine
ME445077
-
-
0.92
162.1
N-Acetyl-L-cysteine
N-Acetylcysteine
ME445060
-
-
2.95
164.2
L-Phenylalanine
Phenylalanine
ME445050
-
-
4.32
166.2
Pyridoxal
Pyridoxal
ME445044
-
-
1.36
168.13
L-Citrulline
Citrulline
ME445039
-
-
1.35
176.2
Normetanephrine
Normetanephrine
ME445040
-
-
0.96
184.1
N-Acetylglutamine
N-Acetylglutamine
ME445069
-
-
1.68
189.19
N-Acetyl-L-methionine
N-Acetylmethionine
ME445042
-
-
5.86
192.26
5-Dodecenoic acid
5-Dodecenoic acid
ME445103
-
-
13.58
199.17
Indolepyruvic acid
Indolepyruvate
ME445101
-
-
8.56
204.07
Tryptophan
Tryptophan
ME445099
-
-
5.75
205.1
Pentadecanoic acid
Pentadecylic acid
ME445105
-
-
14.49
243.23
Cytidine
Cytidine
ME445068
-
-
1.24
244.23
Biotin
Biotin
ME445064
-
-
7.19
245.32
PLP
-
ME445071
-
-
1.44
248.15
2-Deoxyadenosine
Deoxyadenosine
ME445062
-
-
2.61
252.1
Thiamine
Thiamine
ME445093
-
-
1.43
266.12
Adenosine
Adenosine
ME445065
-
-
2.32
268.25
Inosine
Inosine
ME445094
-
-
2.86
269.09
Stearic acid
Stearic acid
ME445106
-
-
12.78
285.28
2'-Deoxycytidine 5'-monophosphate
dCMP
ME445085
-
-
1.13
308.07
Reduced glutathione
Glutathione
ME445061
-
-
1.41
308.09
CMP
CMP
ME445063
-
-
1
324.21
Uridine 5'-monophosphate
UMP
ME445086
-
-
1.09
325.05
2'-Deoxyguanosine 5'-monophosphate
dGMP
ME445084
-
-
1.48
348.07
AMP
AMP
ME445082
-
-
1.25
348.07
IMP
IMP
ME445067
-
-
1.26
349.06
Guanosine 5'-monophosphate
GMP
ME445096
-
-
1.29
364.07
S-(5'-Adenosyl)-L-homocysteine
S-Adenosylhomocysteine
ME445087
-
-
1.57
385.1
Cholesterol
Cholesterol
ME445054
-
-
12.61
387.3
Beta-Sitosterol
Sitosterol
ME445055
-
-
12.94
415.72
Adenylosuccinic acid
Adenylsuccinic acid
ME445080
-
-
3.49
464.08
Oxidized glutathione
Oxidized glutathione
ME445083
-
-
1.59
613.2
Dephospho-CoA
3'-Dephospho-CoA
ME445088
-
-
4.88
688.2
Putrescine
Putrescine
ME445076
-
-
0.7
89.08
Sarcosine
Sarcosine
ME445057
-
-
0.95
90.06
Alanine
Alanine
ME445097
-
-
0.95
90.1
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