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Metabolon
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149 Hit.
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Name
Formula / Structure
ExactMass
ID
Glycochenodeoxycholic acid
1 spectrum
C26H43NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
449.31412
LC-ESI-IT; MS2; m/z: 450.1; [M+H]+
MSBNK-Metabolon-MT000063
Glycocholic acid
1 spectrum
C26H43NO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
465.30905
LC-ESI-IT; MS2; m/z: 464.4; [M-H]-
MSBNK-Metabolon-MT000026
Glycodeoxycholic acid
1 spectrum
C26H43NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
449.31412
LC-ESI-IT; MS2; m/z: 450.1; [M+H]+
MSBNK-Metabolon-MT000040
Glycyl-phenylalanine
1 spectrum
C11H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
222.10043
LC-ESI-IT; MS2; m/z: 221.2; [M-H]-
MSBNK-Metabolon-MT000058
Glycylvaline
1 spectrum
C7H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10043
LC-ESI-IT; MS2; m/z: 175.1; [M+H]+
MSBNK-Metabolon-MT000089
Heptadecanoic acid
1 spectrum
C17H34O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.25589
LC-ESI-IT; MS2; m/z: 269.3; [M-H]-
MSBNK-Metabolon-MT000073
Heptanoic acid
1 spectrum
C7H14O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.09938
LC-ESI-IT; MS2; m/z: 129.2; [M-H]-
MSBNK-Metabolon-MT000059
Hippuric acid
1 spectrum
C9H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.05824
LC-ESI-IT; MS2; m/z: 178.1; [M-H]-
MSBNK-Metabolon-MT000008
Histidine
1 spectrum
C6H9N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.06947
LC-ESI-IT; MS2; m/z: 154.1; [M-H]-
MSBNK-Metabolon-MT000022
HWESASXX
1 spectrum
C43H63N11O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
941.46069
LC-ESI-IT; MS2; m/z: 471.8; [M+2H]2+
MSBNK-Metabolon-MT000101
HXGXA
1 spectrum
C23H39N7O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
509.29617
LC-ESI-IT; MS2; m/z: 510.2; [M+H]+
MSBNK-Metabolon-MT000093
Hyodeoxycholic acid
1 spectrum
C24H40O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.29266
LC-ESI-IT; MS2; m/z: 391.4; [M-H]-
MSBNK-Metabolon-MT000122
Hypoxanthine
1 spectrum
C5H4N4O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.03851
LC-ESI-IT; MS2; m/z: 137.1; [M+H]+
MSBNK-Metabolon-MT000055
Indoleacetic acid
1 spectrum
C10H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.06332
LC-ESI-IT; MS2; m/z: 176.1; [M+H]+
MSBNK-Metabolon-MT000032
Indolelactic acid
1 spectrum
C11H11NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.07388
LC-ESI-IT; MS2; m/z: 206.1; [M+H]+
MSBNK-Metabolon-MT000129
Inosine
1 spectrum
C10H12N4O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.08078
LC-ESI-IT; MS2; m/z: 267.2; [M-H]-
MSBNK-Metabolon-MT000143
Isobar: glucose,fructose,mannose,galactose
1 spectrum
C6H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.06339
LC-ESI-IT; MS2; m/z: 179.2; [M-H]-
MSBNK-Metabolon-MT000112
Isoleucine
1 spectrum
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-ESI-IT; MS2; m/z: 132.1; [M+H]+
MSBNK-Metabolon-MT000039
Ketoleucine
1 spectrum
C6H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.06299
LC-ESI-IT; MS2; m/z: 129.2; [M-H]-
MSBNK-Metabolon-MT000061
Ketovaline
1 spectrum
C5H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.04734
LC-ESI-IT; MS2; m/z: 115.1; [M-H]-
MSBNK-Metabolon-MT000053
Kynurenine
1 spectrum
C10H12N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.08479
LC-ESI-IT; MS2; m/z: 209.1; [M+H]+
MSBNK-Metabolon-MT000014
L-3-Methylhistidine
1 spectrum
C7H11N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
169.08513
LC-ESI-IT; MS2; m/z: 168.1; [M-H]-
MSBNK-Metabolon-MT000090
L-5-Oxoproline
1 spectrum
C5H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.04259
LC-ESI-IT; MS2; m/z: 130.1; [M+H]+
MSBNK-Metabolon-MT000142
Lactic acid
1 spectrum
C3H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
90.03169
LC-ESI-IT; MS2; m/z: 179.0; [2M-H]-
MSBNK-Metabolon-MT000003
Leucine
1 spectrum
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-ESI-IT; MS2; m/z: 132.2; [M+H]+
MSBNK-Metabolon-MT000117
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