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Return to study ST001428 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME326794
-
-
24.6
217.18
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME326754
-
-
72.2
102.055
1-Methyladenosine
1-Methyladenosine
ME326802
-
-
54.4
282.1194
1-Methylhistidine
1-Methylhistidine
ME326786
-
-
82.8
170.0924
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME326777
-
-
37.4
154.0498
3-Methoxytyramine
3-Methoxytyramine
ME326784
-
-
36.5
168.1019
3-Methylhistamine
3-Methylhistamine
ME326763
-
-
82.4
126.1026
3-Sulfinoalanine
3-Sulfino-alanine
ME326776
-
-
122.8
154.0174
Benzoic acid
Benzoic acid
ME326760
-
-
58.1
123.044
Bilirubin
Bilirubin
ME326810
-
-
26.8
585.2702
Biliverdin
Biliverdin
ME326809
-
-
27.7
583.2546
Caffeine
Caffeine
ME326791
-
-
31.1
195.0876
Carnitine
Carnitine
ME326780
-
-
58.8
162.1125
Cinnamaldehyde
Cinnamaldehyde
ME326766
-
-
29.7
133.0648
Citrulline
Citrulline
ME326787
-
-
81.6
176.1027
Cortisol
Cortisol
ME326808
-
-
29.2
363.2163
Cystathionine
Cystathionine
ME326795
-
-
192.1
223.0748
Cystine
Cystine
ME326797
-
-
208.7
241.0311
Cytidine 23-cyclic phosphate
2',3' cyclic CMP
ME326806
-
-
92.5
306.0495
Dodecanoylcarnitine
CAR 12:0
ME326807
-
-
26.9
344.2795
Gamma-Linolenic acid
gamma-Linolenic acid
ME326800
-
-
25.5
279.2318
Glutamic acid
Glutamic acid
ME326773
-
-
74.5
148.0604
Glutamine
Glutamine
ME326772
-
-
82.5
147.0764
Guanosine
Guanosine
ME326804
-
-
54.1
284.0987
Histamine
Histamine
ME326757
-
-
80.6
112.0869
Histidine
Histidine
ME326778
-
-
87.9
156.0768
Homocysteine
Homocysteine
ME326767
-
-
58.8
136.0427
Hypotaurine
Hypotaurine
ME326756
-
-
75.8
110.027
Hypoxanthine
Hypoxanthine
ME326768
-
-
44.7
137.0458
Indole
Indole
ME326758
-
-
43.4
118.0651
Indole-3-methyl acetate
Indole-3-methyl acetate
ME326790
-
-
40.1
190.0861
Indoleacetaldehyde
Indoleacetaldehyde
ME326779
-
-
35.1
160.0757
Inosine
Inosine
ME326799
-
-
47.3
269.0879
Kynurenine
Kynurenine
ME326793
-
-
48.6
209.092
Linoleic acid
Linoleic acid
ME326801
-
-
25.8
281.2475
Methionine
Methionine
ME326774
-
-
53.2
150.0584
Methyl jasmonate
Methyl jasmonate
ME326796
-
-
27.5
225.1485
N-Acetylputrescine
N-Acetylputrescine
ME326765
-
-
45
131.1179
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME326789
-
-
66
189.1234
Niacinamide
Niacinamide
ME326761
-
-
34
123.0552
Nicotine
Nicotine
ME326781
-
-
35.9
163.1229
Oleic acid
Oleic acid
ME326803
-
-
26
283.2631
Palmitoleic acid
Palmitoleic acid
ME326798
-
-
25.4
255.2318
Phenylacetic acid
Phenylacetic acid
ME326769
-
-
27.2
137.0597
Phenylalanine
Phenylalanine
ME326783
-
-
46.3
166.0862
Phenylethylamine
Phenylethylamine
ME326759
-
-
22.6
122.0964
Phenylpyruvic acid
Phenylpyruvic acid
ME326782
-
-
57.5
165.0547
Quinoline
Quinoline
ME326764
-
-
37.1
130.0652
Serine
Serine
ME326755
-
-
81.9
106.0499
Serotonin
Serotonin
ME326788
-
-
30.6
177.1022
Sphinganine
Sphinganine
ME326805
-
-
24
302.3051
Taurine
Taurine
ME326762
-
-
64.4
126.022
Trigonelline
Trigonelline
ME326770
-
-
61.7
138.055
Tryptophan
Tryptophan
ME326792
-
-
45.5
205.0972
Uric acid
Uric acid
ME326785
-
-
59.5
169.0357
Urocanic acid
Urocanic acid
ME326771
-
-
33.8
139.0502
Xanthine
Xanthine
ME326775
-
-
44.9
153.0406
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-Ketobutyric acid
3-Methyl pyruvic acid
ME326811
-
-
24.5
101.0244
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME326832
-
-
21.8
165.0556
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME326847
-
-
25.7
219.0775
Acetylglycine
N-Acetylglycine
ME326816
-
-
19.5
116.0353
Aminoadipic acid
Aminoadipic acid
ME326830
-
-
20.8
160.0615
Arachidic acid
Arachidic acid
ME326854
-
-
280.6
311.2955
Aspartic acid
Aspartic acid
ME326819
-
-
19.4
132.0302
Citramalic acid
Citramalic acid
ME326823
-
-
22.5
147.0296
Citrulline
Citrulline
ME326838
-
-
20.9
174.0883
Cystine
Cystine
ME326849
-
-
23.4
239.0158
Docosahexaenoic acid
Docosahexaenoic acid
ME326855
-
-
213.5
327.2329
Dodecanoic acid
Lauric acid
ME326845
-
-
182.5
199.1704
Gamma-Linolenic acid
gamma-Linolenic acid
ME326852
-
-
210
277.2171
Gluconic acid
Gluconic acid
ME326844
-
-
20.3
195.051
Glutamine
Glutamine
ME326822
-
-
21.4
145.0619
Glyceric acid
Glyceric acid
ME326813
-
-
20.5
105.0193
Glycocholic acid
Glycocholic acid
ME326856
-
-
27.8
464.3016
Gulonolactone
L-Gulonolactone
ME326839
-
-
20.9
177.0404
Heptanoic acid
Heptylic acid
ME326817
-
-
30.1
129.0922
Hippuric acid
Hippuric acid
ME326840
-
-
21.2
178.051
Histamine
Histamine
ME326814
-
-
29.5
110.0722
Histidine
Histidine
ME326828
-
-
27.9
154.0622
Indoleacetic acid
Indoleacetic acid
ME326837
-
-
26.5
174.056
Methionine
Methionine
ME326826
-
-
25.8
148.0438
Mevalonic acid
Mevalonic acid
ME326825
-
-
15.1
147.0662
Myristic acid
Myristic acid
ME326848
-
-
212.1
227.2016
N-Acetylasparagine
N-Acetylasparagine
ME326835
-
-
19.4
173.0566
N-Acetylglutamic acid
N-Acetylglutamic acid
ME326842
-
-
19.4
188.0565
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME326836
-
-
17.9
174.0407
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME326853
-
-
20
308.0984
Oxoglutaric acid
2-Oxoglutaric acid
ME326821
-
-
21.3
145.0142
Palmitoleic acid
Palmitoleic acid
ME326851
-
-
216.9
253.2173
Pantothenic acid
Pantothenic acid
ME326846
-
-
19.4
218.1033
Pelargonic acid
Pelargonic acid
ME326829
-
-
89.7
157.1234
Phenylacetic acid
Phenylacetic acid
ME326820
-
-
22.9
135.0452
Phenylalanine
Phenylalanine
ME326831
-
-
27
164.0716
Proline
Proline
ME326815
-
-
26.3
114.056
Quinic acid
Quinic acid
ME326843
-
-
15.8
191.0561
Serine
Serine
ME326812
-
-
22.2
104.0353
trans-Aconitic acid
trans-Aconitic acid
ME326834
-
-
19.1
173.0091
trans-Cinnamic acid
trans-Cinnamic acid
ME326824
-
-
28.1
147.0451
Tyrosine
Tyrosine
ME326841
-
-
26.2
180.0666
Ureidopropionic acid
Ureidopropionic acid
ME326818
-
-
21.1
131.0457
Uric acid
Uric acid
ME326833
-
-
21.5
167.0207
Uridine
Uridine
ME326850
-
-
24.6
243.0621
Xanthine
Xanthine
ME326827
-
-
23.3
151.0261
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