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Return to study ST002098 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
Pyrogallol
1,2,3-Trihydroxybenzene
ME510795
-
-
2.46
127.04
2,4-Diaminobutyric acid
2,4-Diaminobutyric acid
ME510729
-
-
0.74
119.11
2-Methylhippuric acid
2-Methylhippuric acid
ME510794
-
-
7.66
194.08
3-Guanidinopropionic acid?
3-Guanidinopropanoic acid
ME510778
-
-
0.89
132.14
Indole-3-propionic acid
3-Indolepropionic acid
ME510756
-
-
12.78
190.22
3-Phenylpropionylglycine
3-Phenylpropionylglycine
ME510735
-
-
7.88
208.24
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME510782
-
-
3.89
221.23
5-Methylcytidine
5-Methylcytidine
ME510741
-
-
1.49
258.25
6-Aminocaproic acid
6-Aminocaproic acid
ME510753
-
-
0.73
132.11
Acetylcholine
Acetylcholine
ME510733
-
-
0.91
147.13
Adenosine
Adenosine
ME510762
-
-
4.16
268.25
Alanine
Alanine
ME510790
-
-
0.87
90.1
Aminoadipic acid
Aminoadipic acid
ME510801
-
-
0.73
162.08
Arachidonic acid
Arachidonic acid
ME510799
-
-
14.51
305.25
L-Arginine
Arginine
ME510769
-
-
0.84
175.21
Betaine
Betaine
ME510765
-
-
0.92
118.16
Biotin
Biotin
ME510761
-
-
6.34
245.32
Palmitoyl-l-carnitine
CAR 16:0
ME510777
-
-
13.2
400.34
Acetylcarnitine
CAR 2:0
ME510780
-
-
1.45
204.21
Hexanoylcarnitine
CAR 6:0
ME510776
-
-
8.6
260.1
L-Carnitine hydrochloride
Carnitine
ME510773
-
-
0.91
162.1
Choline
Choline
ME510784
-
-
0.87
105.1
L-Citrulline
Citrulline
ME510736
-
-
0.9
176.2
Creatine
Creatine
ME510785
-
-
0.96
132.08
Creatinine
Creatinine
ME510774
-
-
-
114.07
L-Cysteic acid
Cysteic acid
ME510743
-
-
0.85
170.17
Cytidine
Cytidine
ME510763
-
-
1.23
244.23
Cytosine
Cytosine
ME510789
-
-
2.52
112.05
Daidzein
Daidzein
ME510779
-
-
11.68
255.07
Deoxycytidine
Deoxycytidine
ME510758
-
-
2.5
228.23
Dopamine
Dopamine
ME510759
-
-
0.91
154.15
L-Glutamate
Glutamic acid
ME510750
-
-
0.9
148.06
L-Glutamine
Glutamine
ME510805
-
-
0.87
147.08
Guanidineacetic acid
Guanidoacetic acid
ME510742
-
-
1.28
118.12
Hippuric acid
Hippuric acid
ME510752
-
-
6.89
180.16
Histamine
Histamine
ME510767
-
-
0.92
112.09
L-Histidine
Histidine
ME510745
-
-
0.8
156.16
L-Homoserine
Homoserine
ME510731
-
-
0.88
120.07
Hypoxanthine
Hypoxanthine
ME510786
-
-
2.96
137
Indole-3-acetic acid
Indoleacetic acid
ME510766
-
-
10.8
176.1
Indolepyruvic acid
Indolepyruvate
ME510793
-
-
13.93
204.07
Inosine
Inosine
ME510788
-
-
4.16
269.09
Isoleucine
Isoleucine
ME510730
-
-
3.6
132.18
Isonicotinic acid
Isonicotinic acid
ME510760
-
-
1.39
124.12
L-Kynurenine
Kynurenine
ME510738
-
-
4.24
209.22
L-Leucine
Leucine
ME510747
-
-
3.64
132.18
L-Lysine
Lysine
ME510770
-
-
0.86
147.2
L-Methionine
Methionine
ME510746
-
-
1.51
150.22
N-Acetylglutamine
N-Acetylglutamine
ME510764
-
-
1.49
189.19
Nicotinic acid
Nicotinic acid
ME510739
-
-
1.37
124.12
L-Norleucine
Norleucine
ME510734
-
-
3.59
132.1
Normetanephrine
Normetanephrine
ME510737
-
-
0.87
184.1
Norvaline
Norvaline
ME510802
-
-
2.37
118.09
L-Ornithine
Ornithine
ME510806
-
-
0.78
133.1
L-Phenylalanine
Phenylalanine
ME510749
-
-
4.84
166.2
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME510796
-
-
2.24
168.99
Pipecolic acid
Pipecolic acid
ME510804
-
-
0.88
130.09
L-Proline
Proline
ME510744
-
-
0.98
116.14
Putrescine
Putrescine
ME510771
-
-
0.73
89.08
Pyroglutamic acid
Pyroglutamic acid
ME510803
-
-
0.87
130.05
Sarcosine
Sarcosine
ME510757
-
-
0.87
90.06
Serotonin
Serotonin
ME510772
-
-
3.64
177.19
Beta-Sitosterol
Sitosterol
ME510754
-
-
13.02
415.72
Spermidine
Spermidine
ME510787
-
-
0.69
146.17
Sphinganine
Sphinganine
ME510781
-
-
12.72
302.52
Stearic acid
Stearic acid
ME510800
-
-
13.49
285.28
Taurine
Taurine
ME510783
-
-
0.86
126.16
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME510798
-
-
12.37
500.31
Taurolithocholic acid
Taurolithocholic acid
ME510797
-
-
12.9
484.31
L-Threonine
Threonine
ME510748
-
-
0.88
120.13
Trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME510755
-
-
1.84
132.14
Trimethylamine N-oxide
Trimethylamine N-oxide
ME510740
-
-
-
76.15
Tryptamine
Tryptamine
ME510768
-
-
6.67
161.23
Tryptophan
Tryptophan
ME510792
-
-
5.92
205.1
Uracil
Uracil
ME510791
-
-
1.37
113.1
L-Valine
Valine
ME510751
-
-
2.38
118.09
2-Aminoimidazole
-
ME510732
-
-
0.99
84.06
5-aminosalicylic acid
-
ME510775
-
-
0.9
154.15
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Ketoglutaric acid
2-Oxoglutaric acid
ME510814
-
-
2.27
145.09
3-Hydroxyphenylpropionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME510827
-
-
7.05
165.05
Allantoin
Allantoin
ME510820
-
-
0.96
157.03
Azelaic acid
Azelaic acid
ME510818
-
-
9.62
187.1
P-Coumaric acid
cis-p-Coumaric acid
ME510810
-
-
8.92
163.04
Citrate
Citric acid
ME510807
-
-
1.51
191.11
Deoxycholic acid
Deoxycholic acid
ME510815
-
-
12.47
391.3
Docosahexaenoic acid
Docosahexaenoic acid
ME510828
-
-
14.27
327.23
D-Fructose
Fructose
ME510823
-
-
2.35
179.05
Glucose
Glucose
ME510825
-
-
1.92
179.05
Indoxyl sulfate
Indoxyl sulfate
ME510821
-
-
7.66
212
Isocitric acid
Isocitric acid
ME510808
-
-
1.43
191.02
L-Lactate
Lactic acid
ME510812
-
-
1.43
89.02
Malic acid
Malic acid
ME510822
-
-
1.29
133.01
Malonic acid
Malonic acid
ME510817
-
-
0.85
103
N-Acetyl-L-tryptophan
N-Acetyl-tryptophan
ME510819
-
-
10.29
245.09
Oxalic acid
Oxalic acid
ME510816
-
-
1.38
89
Phenyllactic acid
Phenyllactic acid
ME510829
-
-
8.55
165.05
Pyruvate
Pyruvic acid
ME510813
-
-
2.33
87.01
Succinic acid
Succinic acid
ME510824
-
-
2.94
117.02
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME510809
-
-
11.92
498.29
Taurodeoxycholic acid
Taurodeoxycholic acid
ME510811
-
-
13.12
498.29
2-hydroxy-2-phenylpropanoic acid
-
ME510826
-
-
7.06
165.05
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