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Return to study ST002862 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
ME743861
-
-
2.56
127.04
2,4-Diaminobutyric acid
2,4-Diaminobutyric acid
ME743754
-
-
1
119.11
3-Guanidinopropionic acidÂ
3-Guanidinopropanoic acid
ME743831
-
-
0.9
132.14
Indole-3-propionic acid
3-Indolepropionic acid
ME743791
-
-
11.2
190.22
3-Methylindole
3-Methylindole
ME743867
-
-
12.66
132.08
3-Phenylpropionylglycine
3-Phenylpropionylglycine
ME743761
-
-
8.93
208.24
p-Hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME743858
-
-
7.54
181.05
5-Aminolevulinic acid
5-Amino-levulinic acid
ME743826
-
-
1.65
132.07
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME743838
-
-
3.61
221.23
5-Methylcytidine
5-Methylcytidine
ME743767
-
-
2.55
258.25
6-Aminocaproic acid
6-Aminocaproic acid
ME743783
-
-
0.94
132.11
Acetylcholine
Acetylcholine
ME743759
-
-
0.95
147.13
Adenine
Adenine
ME743857
-
-
1.86
136.1
Adenosine
Adenosine
ME743806
-
-
2.73
268.25
Agmatine
Agmatine
ME743852
-
-
1.01
131.1
Alanine
Alanine
ME743854
-
-
0.88
90.1
Aminoadipic acid
Aminoadipic acid
ME743871
-
-
0.96
162.08
Adenosine 5'-monophosphate
AMP
ME743836
-
-
1.42
348.07
Arachidonic acid
Arachidonic acid
ME743868
-
-
13.78
305.25
L-Arginine
Arginine
ME743817
-
-
1
175.21
L-Asparagine
Asparagine
ME743763
-
-
0.87
133.06
L-Aspartic acid
Aspartic acid
ME743780
-
-
0.87
134.11
Betaine
Betaine
ME743812
-
-
1
118.16
Betaine aldehyde
Betaine aldehyde
ME743797
-
-
1.01
102.2
Biotin
Biotin
ME743805
-
-
7.34
245.32
Caproic acid
Caproic acid
ME743866
-
-
1.01
117.09
Palmitoyl-l-carnitine
CAR 16:0
ME743830
-
-
13.27
400.34
Acetylcarnitine
CAR 2:0
ME743835
-
-
1.43
204.21
Hexanoylcarnitine
CAR 6:0
ME743829
-
-
8.51
260.1
L-Carnitine hydrochloride
Carnitine
ME743823
-
-
0.9
162.1
L-Carnosine
Carnosine
ME743834
-
-
0.94
227.24
Cholesterol
Cholesterol
ME743784
-
-
12.7
387.3
Choline
Choline
ME743845
-
-
0.87
105.1
L-Citrulline
Citrulline
ME743762
-
-
0.9
176.2
Cytidine monophosphate
CMP
ME743804
-
-
1
324.21
Creatine
Creatine
ME743846
-
-
0.95
132.08
Creatinine
Creatinine
ME743825
-
-
0.92
114.07
L-Cysteic acid
Cysteic acid
ME743770
-
-
0.86
170.17
Cytidine
Cytidine
ME743810
-
-
1.42
244.23
Cytosine
Cytosine
ME743851
-
-
0.75
112.05
Daidzein
Daidzein
ME743833
-
-
10.62
255.07
2'-Deoxycytidine 5'-monophosphate
dCMP
ME743842
-
-
1.41
308.07
Dehydrocholic acid
Dehydrocholic acid
ME743863
-
-
12.53
403.25
2-Deoxyadenosine
Deoxyadenosine
ME743801
-
-
3.04
252.1
Deoxycytidine
Deoxycytidine
ME743794
-
-
1.42
228.23
2-Deoxyguanosine
Deoxyguanosine
ME743793
-
-
3.56
268.27
2'-Deoxyuridine
Deoxyuridine
ME743787
-
-
2.57
229.2
Dexamethasone
Dexamethasone
ME743803
-
-
13.03
393.21
2'-Deoxyguanosine 5'-monophosphate
dGMP
ME743841
-
-
1.56
348.07
8,11,14-Eicosatrienoic acid
Dihomo-gamma-linolenic acid
ME743869
-
-
13.88
307.27
Dopamine
Dopamine
ME743796
-
-
1.64
154.15
Gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME743772
-
-
0.89
104.13
L-Glutamate
Glutamic acid
ME743779
-
-
0.9
148.06
L-Glutamine
Glutamine
ME743875
-
-
0.77
147.08
Reduced glutathione
Glutathione
ME743800
-
-
1.46
308.09
Glycine
Glycine
ME743789
-
-
0.86
76.04
Glycodeoxycholic acid
Glycodeoxycholic acid
ME743795
-
-
12.76
450.32
Guanosine 5'-monophosphate
GMP
ME743853
-
-
2.85
364.07
Guanidineacetic acid
Guanidoacetic acid
ME743769
-
-
1.05
118.12
Hippuric acid
Hippuric acid
ME743782
-
-
6.85
180.16
Histamine
Histamine
ME743815
-
-
0.74
112.09
L-Histidine
Histidine
ME743774
-
-
0.87
156.16
L-Homocysteine
Homocysteine
ME743807
-
-
1.9
136.05
L-Homoserine
Homoserine
ME743757
-
-
0.89
120.07
Hypoxanthine
Hypoxanthine
ME743847
-
-
1.56
137
Inosine-5'-monophosphate
IMP
ME743808
-
-
1.42
349.06
Indole-3-acetic acid
Indoleacetic acid
ME743814
-
-
9.84
176.1
3-Indoleacrylic acid
Indoleacrylic acid
ME743859
-
-
10.73
188.07
Inosine
Inosine
ME743850
-
-
2.97
269.09
Isoleucine
Isoleucine
ME743756
-
-
2.25
132.18
Isonicotinic acid
Isonicotinic acid
ME743798
-
-
1.43
124.12
L-Leucine
Leucine
ME743776
-
-
2.23
132.18
L-Histidinol
L-Histidinol
ME743824
-
-
1.42
142.1
L-Lysine
Lysine
ME743818
-
-
1.2
147.2
L-Methionine
Methionine
ME743775
-
-
1.45
150.22
N-Acetyl-L-cysteine
N-Acetylcysteine
ME743799
-
-
2.94
164.2
N-Acetylglutamine
N-Acetylglutamine
ME743811
-
-
0.81
189.19
N-Acetyl-L-methionine
N-Acetylmethionine
ME743766
-
-
5.99
192.26
N-Acetylornithine
N-Acetylornithine
ME743832
-
-
0.92
175.21
N-ethylmaleimide
N-Ethylmaleimide
ME743822
-
-
6.44
126.1
Nicotinic acid
Nicotinic acid
ME743765
-
-
1.43
124.12
L-Norleucine
Norleucine
ME743760
-
-
2.25
132.1
Normetanephrine
Normetanephrine
ME743764
-
-
1.82
184.1
Norvaline
Norvaline
ME743872
-
-
1.05
118.09
L-Ornithine
Ornithine
ME743876
-
-
2.03
133.1
L-Phenylalanine
Phenylalanine
ME743778
-
-
4.25
166.2
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME743862
-
-
0.73
168.99
Pipecolic acid
Pipecolic acid
ME743874
-
-
0.99
130.09
L-Proline
Proline
ME743773
-
-
0.96
116.14
Putrescine
Putrescine
ME743820
-
-
0.73
89.08
Pyridoxal
Pyridoxal
ME743771
-
-
1.59
168.13
Pyridoxal 5'-phosphate
Pyridoxal 5'-phosphate
ME743813
-
-
1.57
248.15
Pyroglutamic acid
Pyroglutamic acid
ME743873
-
-
1.03
130.05
Quercetin
Quercetin
ME743786
-
-
11.96
303.05
Roxithromycin
Roxithromycin
ME743802
-
-
12.02
837.5
S-(5'-Adenosyl)-L-homocysteine
S-Adenosylhomocysteine
ME743844
-
-
1.83
385.1
Salicyluric acid
Salicyluric acid
ME743870
-
-
8.18
196.06
Sarcosine
Sarcosine
ME743792
-
-
0.88
90.06
Serotonin
Serotonin
ME743821
-
-
3.59
177.19
Beta-Sitosterol
Sitosterol
ME743785
-
-
13.04
415.72
Spermidine
Spermidine
ME743848
-
-
0.7
146.17
Sphinganine
Sphinganine
ME743837
-
-
12.96
302.52
Syringic acid
Syringic acid
ME743860
-
-
7.29
199.06
Taurine
Taurine
ME743839
-
-
0.87
126.16
Taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME743865
-
-
12.31
500.31
Taurolithocholic acid
Taurolithocholic acid
ME743864
-
-
13.51
484.31
Thiamine
Thiamine
ME743849
-
-
0.89
266.12
L-Threonine
Threonine
ME743777
-
-
0.88
120.13
Thymine
Thymine
ME743819
-
-
2.56
127.12
Trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME743788
-
-
2.25
132.14
Trimethoprim
Trimethoprim
ME743809
-
-
7.1
291.3
Tryptamine
Tryptamine
ME743816
-
-
6.3
161.23
Tryptophan
Tryptophan
ME743856
-
-
5.7
205.1
Uridine 5'-monophosphate
UMP
ME743843
-
-
1.32
325.05
Uracil
Uracil
ME743855
-
-
1.42
113.1
L-Valine
Valine
ME743781
-
-
1.05
118.09
L-Ascorbic acid
Vitamin C
ME743790
-
-
1.94
177.04
2-Aminoimidazole
-
ME743758
-
-
1
84.06
3-Isobutyl-1-methylxanthine
-
ME743840
-
-
9.22
223.25
5-aminosalicylic acid
-
ME743827
-
-
1.64
154.15
Dimethyl 3,4-furandicarboxylate
-
ME743768
-
-
9.48
185.16
Eupatorin
-
ME743755
-
-
12.67
345.33
Protocatechualdehyde
-
ME743828
-
-
7.24
139
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
ME743895
-
-
1.41
145.09
3-Hydroxyphenylpropionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME743921
-
-
8.42
165.05
3-Hydroxybenzoic acid
3-Hydroxybenzoic acid
ME743888
-
-
6.32
137.02
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME743899
-
-
6.31
137.02
4-Hydroxyphenylacetic acid
4-Hydroxyphenylacetic acid
ME743920
-
-
6.74
151.04
Azelaic acid
Azelaic acid
ME743900
-
-
9.65
187.1
Caffeic acid
Caffeic acid
ME743889
-
-
7
179
Chenodeoxycholic acid
Chenodeoxycholic acid
ME743878
-
-
13.39
391.28
Cholic acid
Cholic acid
ME743892
-
-
12.62
407.3
P-Coumaric acid
cis-p-Coumaric acid
ME743882
-
-
8.13
163.04
Citramalic acid
Citramalic acid
ME743924
-
-
2
147.03
Citrate
Citric acid
ME743877
-
-
1.55
191.11
Deoxycholic acid
Deoxycholic acid
ME743896
-
-
13.39
391.3
2'-Deoxyinosine
Deoxyinosine
ME743907
-
-
3.68
251.1
DHAP
Dihydroxyacetone phosphate
ME743909
-
-
1.49
168.9
Docosahexaenoic acid
Docosahexaenoic acid
ME743922
-
-
14.86
327.23
D-Fructose
Fructose
ME743913
-
-
0.91
179.05
Fumarate
Fumaric acid
ME743910
-
-
1.76
115
Gluconic acid
Gluconic acid
ME743915
-
-
0.91
195.05
Glucose
Glucose
ME743916
-
-
0.91
179.05
D-Glucose 6-phosphate
Glucose 6-phosphate
ME743908
-
-
0.89
259.02
Glutaric acid
Glutaric acid
ME743925
-
-
3.5
131.03
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME743886
-
-
12.65
448.3
Glycocholic acid
Glycocholic acid
ME743883
-
-
12.13
464.3
Isocitric acid
Isocitric acid
ME743880
-
-
1.55
191.02
L-Lactate
Lactic acid
ME743893
-
-
1.43
89.02
Lithocholic acid
Lithocholic acid
ME743902
-
-
15.56
375.3
Maleic acid
Maleic acid
ME743901
-
-
1.75
115
Malic acid
Malic acid
ME743911
-
-
1.03
133.01
Malonic acid
Malonic acid
ME743898
-
-
2.13
103
Methylmalonic acid
Methylmalonic acid
ME743887
-
-
1.93
117.02
N-Acetylglutamic acid
N-Acetylglutamic acid
ME743906
-
-
1.73
188.05
N-Acetyl-L-tryptophan
N-Acetyl-tryptophan
ME743903
-
-
8.65
245.09
Oxalic acid
Oxalic acid
ME743897
-
-
1.43
89
Phenyllactic acid
Phenyllactic acid
ME743923
-
-
8.33
165.05
Phenylpyruvate
Phenylpyruvic acid
ME743905
-
-
7.43
163
Pyruvate
Pyruvic acid
ME743894
-
-
0.97
87.01
Rosmarinic acid
Rosmarinic acid
ME743890
-
-
9.58
359.1
Sebacic acid
Sebacic acid
ME743904
-
-
10.96
201.1
Succinic acid
Succinic acid
ME743914
-
-
1.94
117.02
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME743881
-
-
12.2
498.29
Taurocholic acid
Taurocholic acid
ME743879
-
-
11.74
514.28
Taurodeoxycholic acid
Taurodeoxycholic acid
ME743884
-
-
12.3
498.29
Uridine
Uridine
ME743891
-
-
1.75
243.1
Ursodeoxycholic acid
Ursodeoxycholic acid
ME743885
-
-
13.39
391.28
Vanillic acid
Vanillic acid
ME743912
-
-
7.02
167.03
2-hydroxy-2-phenylpropanoic acid
-
ME743918
-
-
8.42
165.05
Phenylpropionic acid
-
ME743917
-
-
10.2
149.06
p-Hydroxyphenylpropionic acid
-
ME743919
-
-
8.42
165.05
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