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Return to study ST002861 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
Betaine aldehyde
Betaine aldehyde
ME743653
-
-
0.85
102.2
Choline
Choline
ME743695
-
-
0.83
105.1
Cytosine
Cytosine
ME743701
-
-
1.04
112.05
Histamine
Histamine
ME743673
-
-
0.69
112.09
Uracil
Uracil
ME743706
-
-
1.76
113.1
Creatinine
Creatinine
ME743680
-
-
0.87
114.07
L-Proline
Proline
ME743634
-
-
0.91
116.14
L-Valine
Valine
ME743642
-
-
1.03
118.09
Norvaline
Norvaline
ME743720
-
-
1.03
118.09
Guanidineacetic acid
Guanidoacetic acid
ME743631
-
-
1.03
118.12
Betaine
Betaine
ME743670
-
-
0.86
118.16
L-Threonine
Threonine
ME743638
-
-
0.84
120.13
Isonicotinic acid
Isonicotinic acid
ME743654
-
-
1.03
124.12
Nicotinic acid
Nicotinic acid
ME743626
-
-
2.56
124.12
N-ethylmaleimide
N-Ethylmaleimide
ME743678
-
-
6.1
126.1
Taurine
Taurine
ME743691
-
-
0.84
126.16
Pyroglutamic acid
Pyroglutamic acid
ME743721
-
-
1.03
130.05
Pipecolic acid
Pipecolic acid
ME743722
-
-
1.03
130.09
Agmatine
Agmatine
ME743703
-
-
0.12
131.1
Creatine
Creatine
ME743696
-
-
0.9
132.08
L-Norleucine
Norleucine
ME743657
-
-
2.27
132.1
6-Aminocaproic acid
6-Aminocaproic acid
ME743644
-
-
0.44
132.11
3-Guanidinopropionic acidÂ
3-Guanidinopropanoic acid
ME743684
-
-
1.04
132.14
Trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME743647
-
-
1.04
132.14
Isoleucine
Isoleucine
ME743623
-
-
2.26
132.18
L-Leucine
Leucine
ME743637
-
-
2.26
132.18
L-Asparagine
Asparagine
ME743659
-
-
0.96
133.06
L-Ornithine
Ornithine
ME743724
-
-
1.04
133.1
L-Aspartic acid
Aspartic acid
ME743641
-
-
0.91
134.11
L-Homocysteine
Homocysteine
ME743665
-
-
1
136.05
Adenine
Adenine
ME743708
-
-
1.04
136.1
Hypoxanthine
Hypoxanthine
ME743697
-
-
1.03
137
Salicylic acid
Salicylic acid
ME743694
-
-
9.65
139.04
Spermidine
Spermidine
ME743698
-
-
0.68
146.17
L-Glutamine
Glutamine
ME743723
-
-
0.83
147.08
Acetylcholine
Acetylcholine
ME743656
-
-
0.91
147.13
L-Lysine
Lysine
ME743675
-
-
0.83
147.2
L-Glutamate
Glutamic acid
ME743640
-
-
0.84
148.06
L-Methionine
Methionine
ME743636
-
-
1.04
150.22
5-aminosalicylic acid
-
ME743681
-
-
1.04
154.15
Dopamine
Dopamine
ME743652
-
-
1.04
154.15
L-Histidine
Histidine
ME743635
-
-
0.81
156.16
Aminoadipic acid
Aminoadipic acid
ME743719
-
-
0.92
162.08
L-Carnitine hydrochloride
Carnitine
ME743679
-
-
0.86
162.1
L-Phenylalanine
Phenylalanine
ME743639
-
-
4.23
166.2
Ethyl 4-hydroxybenzoate
-
ME743700
-
-
12.54
167.18
Pyridoxal
Pyridoxal
ME743633
-
-
1.04
168.13
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME743709
-
-
0.83
168.99
L-Cysteic acid
Cysteic acid
ME743632
-
-
1.24
170.17
Decanoic acid
Capric acid
ME743715
-
-
1.25
173.16
L-Arginine
Arginine
ME743674
-
-
0.97
175.21
N-Acetylornithine
N-Acetylornithine
ME743685
-
-
0.96
175.21
Indole-3-acetic acid
Indoleacetic acid
ME743672
-
-
9.74
176.1
L-Citrulline
Citrulline
ME743658
-
-
0.84
176.2
Serotonin
Serotonin
ME743677
-
-
3.71
177.19
Glucosamine
Glucosamine
ME743702
-
-
1.91
180.09
Hippuric acid
Hippuric acid
ME743643
-
-
6.75
180.16
Normetanephrine
Normetanephrine
ME743624
-
-
1.03
184.1
Dimethyl 3,4-furandicarboxylate
-
ME743630
-
-
10.55
185.16
N-Acetylglutamine
N-Acetylglutamine
ME743669
-
-
1.04
189.19
Indole-3-propionic acid
3-Indolepropionic acid
ME743649
-
-
11.09
190.22
N-Acetyl-L-methionine
N-Acetylmethionine
ME743627
-
-
5.89
192.26
Salicyluric acid
Salicyluric acid
ME743718
-
-
8.07
196.06
5-Dodecenoic acid
5-Dodecenoic acid
ME743713
-
-
13.03
199.17
Acetylcarnitine
CAR 2:0
ME743688
-
-
1.04
204.21
Tryptophan
Tryptophan
ME743707
-
-
5.67
205.1
L-Kynurenine
Kynurenine
ME743625
-
-
4.03
209.22
3-Isobutyl-1-methylxanthine
-
ME743693
-
-
9.08
223.25
L-Carnosine
Carnosine
ME743687
-
-
1.13
227.24
Pentadecanoic acid
Pentadecylic acid
ME743716
-
-
12.45
243.23
Cytidine
Cytidine
ME743668
-
-
1.03
244.23
Biotin
Biotin
ME743663
-
-
8.91
245.32
Pyridoxal 5'-phosphate
Pyridoxal 5'-phosphate
ME743671
-
-
1.03
248.15
Daidzein
Daidzein
ME743686
-
-
12.12
255.07
5-Methylcytidine
5-Methylcytidine
ME743629
-
-
1.04
258.25
Hexanoylcarnitine
CAR 6:0
ME743682
-
-
8.42
260.1
Adenosine
Adenosine
ME743664
-
-
4.2
268.25
Inosine
Inosine
ME743699
-
-
3.04
269.09
Stearic acid
Stearic acid
ME743717
-
-
12.23
285.28
Trimethoprim
Trimethoprim
ME743667
-
-
7
291.3
Sphinganine
Sphinganine
ME743690
-
-
12.83
302.52
Arachidonic acid
Arachidonic acid
ME743714
-
-
13
305.25
Reduced glutathione
Glutathione
ME743660
-
-
1.03
308.09
Cytidine monophosphate
CMP
ME743662
-
-
0.94
324.21
Adenosine 5'-monophosphate
AMP
ME743689
-
-
1.03
348.07
Inosine-5'-monophosphate
IMP
ME743666
-
-
1.03
349.06
Guanosine 5'-monophosphate
GMP
ME743704
-
-
1.03
364.07
Cholesterol
Cholesterol
ME743645
-
-
12.61
387.3
Palmitoyl-l-carnitine
CAR 16:0
ME743683
-
-
13.09
400.34
Dehydrocholic acid
Dehydrocholic acid
ME743710
-
-
11.96
403.25
Beta-Sitosterol
Sitosterol
ME743646
-
-
12.95
415.72
Glycodeoxycholic acid
Glycodeoxycholic acid
ME743651
-
-
12.68
450.32
Taurolithocholic acid
Taurolithocholic acid
ME743711
-
-
14.23
484.31
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME743712
-
-
12.25
500.31
Oxidized glutathione
Oxidized glutathione
ME743692
-
-
1.03
613.2
Glycine
Glycine
ME743648
-
-
0.85
76.04
Trimethylamine N-oxide
Trimethylamine N-oxide
ME743628
-
-
0.86
76.15
Roxithromycin
Roxithromycin
ME743661
-
-
11.92
837.5
2-Aminoimidazole
-
ME743655
-
-
1.03
84.06
Putrescine
Putrescine
ME743676
-
-
0.69
89.08
Sarcosine
Sarcosine
ME743650
-
-
0.83
90.06
Alanine
Alanine
ME743705
-
-
0.83
90.1
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Malonic acid
Malonic acid
ME743737
-
-
2.11
103
Succinic acid
Succinic acid
ME743745
-
-
1.04
117.02
Itaconic acid
Itaconic acid
ME743735
-
-
6.02
129
Oxaloacetic acid
Oxaloacetic acid
ME743751
-
-
0.67
131
Malic acid
Malic acid
ME743743
-
-
1.03
133.01
2-Ketoglutaric acid
2-Oxoglutaric acid
ME743733
-
-
1.03
145.09
2-hydroxy-2-phenylpropanoic acid
-
ME743748
-
-
7.09
165.05
3-Hydroxyphenylpropionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME743750
-
-
7.1
165.05
Phenyllactic acid
Phenyllactic acid
ME743753
-
-
8.21
165.05
p-Hydroxyphenylpropionic acid
-
ME743749
-
-
6.91
165.05
D-Fructose
Fructose
ME743744
-
-
1.04
179.05
Glucose
Glucose
ME743747
-
-
1.04
179.05
Azelaic acid
Azelaic acid
ME743738
-
-
9.44
187.1
Isocitric acid
Isocitric acid
ME743741
-
-
1.04
191.02
Citrate
Citric acid
ME743725
-
-
1.05
191.11
Gluconic acid
Gluconic acid
ME743746
-
-
0.85
195.05
Sebacic acid
Sebacic acid
ME743740
-
-
10.82
201.1
Indoxyl sulfate
Indoxyl sulfate
ME743742
-
-
6.38
212
Docosahexaenoic acid
Docosahexaenoic acid
ME743752
-
-
14.76
327.23
Lithocholic acid
Lithocholic acid
ME743739
-
-
12.88
375.3
Deoxycholic acid
Deoxycholic acid
ME743734
-
-
13.3
391.3
Cholic acid
Cholic acid
ME743730
-
-
12.54
407.3
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME743729
-
-
12.56
448.3
Glycocholic acid
Glycocholic acid
ME743727
-
-
12.04
464.3
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME743726
-
-
12.12
498.29
Taurodeoxycholic acid
Taurodeoxycholic acid
ME743728
-
-
12.12
498.29
Pyruvate
Pyruvic acid
ME743732
-
-
1.03
87.01
Oxalic acid
Oxalic acid
ME743736
-
-
1.04
89
L-Lactate
Lactic acid
ME743731
-
-
1.04
89.02
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