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Metabolon
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149 Hit.
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Name
Formula / Structure
ExactMass
ID
(des-arg9)-Bradykinin
1 spectrum
C44H61N11O10
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
903.46027
LC-ESI-IT; MS2; m/z: 453.0; [M+2H]2+
MSBNK-Metabolon-MT000132
1,5-Anhydroglucitol
1 spectrum
C6H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
164.06847
LC-ESI-IT; MS2; m/z: 163.2; [M-H]-
MSBNK-Metabolon-MT000011
1-Hexanoic acid
1 spectrum
C6H12O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
116.08373
LC-ESI-IT; MS2; m/z: 115.2; [M-H]-
MSBNK-Metabolon-MT000145
1-Linoleoylglycerol
1 spectrum
C21H38O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.27701
LC-ESI-IT; MS2; m/z: 279.2; [M-C3H7O2]-
MSBNK-Metabolon-MT000148
1-Methyladenosine
1 spectrum
C11H15N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.11240
LC-ESI-IT; MS2; m/z: 282.1; [M+H]+
MSBNK-Metabolon-MT000077
1-Oleoylglycerophosphocholine
1 spectrum
[C26H53NO7P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
522.35596
LC-ESI-IT; MS2; m/z: 522.4; [M]+
MSBNK-Metabolon-MT000088
1-Palmitoylglycerophosphocholine
1 spectrum
[C24H51NO7P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
496.34030
LC-ESI-IT; MS2; m/z: 496.4; [M]+
MSBNK-Metabolon-MT000099
1-Stearoylglycerophosphocholine
1 spectrum
[C26H55NO7P]+
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
524.37158
LC-ESI-IT; MS2; m/z: 524.4; [M]+
MSBNK-Metabolon-MT000126
10-Heptadecenoic acid (17:1(n-7))
1 spectrum
C17H32O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.24023
LC-ESI-IT; MS2; m/z: 267.3; [M-H]-
MSBNK-Metabolon-MT000118
10-Nonadecenoic acid (19:1(n-9))
1 spectrum
C19H36O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.27151
LC-ESI-IT; MS2; m/z: 295.4; [M-H]-
MSBNK-Metabolon-MT000050
10c-Undecenoic acid
1 spectrum
C11H20O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.14633
LC-ESI-IT; MS2; m/z: 183.3; [M-H]-
MSBNK-Metabolon-MT000097
2-Aminobutyric acid
1 spectrum
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-IT; MS2; m/z: 104.1; [M+H]+
MSBNK-Metabolon-MT000144
2-Arachidonoyl glycerol
1 spectrum
C23H38O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
378.27701
LC-ESI-IT; MS2; m/z: 377.1; [M-H]-
MSBNK-Metabolon-MT000017
2-Hydroxyhippuric acid
1 spectrum
C9H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.05316
LC-ESI-IT; MS2; m/z: 194.1; [M-H]-
MSBNK-Metabolon-MT000074
2-Hydroxyoctanoic acid
1 spectrum
C8H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.10994
LC-ESI-IT; MS2; m/z: 159.2; [M-H]-
MSBNK-Metabolon-MT000051
2-Linoleoyl-glycerol
1 spectrum
C21H38O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.27701
LC-ESI-IT; MS2; m/z: 279.3; [M-C3H7O2]-
MSBNK-Metabolon-MT000001
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
1 spectrum
C12H16O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.09978
LC-ESI-IT; MS2; m/z: 239.1; [M-H]-
MSBNK-Metabolon-MT000094
3-Hydroxydecanoic acid
1 spectrum
C10H20O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.14124
LC-ESI-IT; MS2; m/z: 187.2; [M-H]-
MSBNK-Metabolon-MT000041
3-Indolepropionic acid
1 spectrum
C11H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.07898
LC-ESI-IT; MS2; m/z: 190.1; [M+H]+
MSBNK-Metabolon-MT000130
3-methyl-2-oxovalerate
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-MT000121
3-Phenylpropionic acid
1 spectrum
C9H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.06808
LC-ESI-IT; MS2; m/z: 149.1; [M-H]-
MSBNK-Metabolon-MT000037
4-Pyridoxic acid
1 spectrum
C8H9NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.05316
LC-ESI-IT; MS2; m/z: 182.1; [M-H]-
MSBNK-Metabolon-MT000123
5-Dodecenoic acid (12:1(n-7))
1 spectrum
C12H22O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.16199
LC-ESI-IT; MS2; m/z: 197.2; [M-H]-
MSBNK-Metabolon-MT000085
7-Hydroxyoctanoic acid
1 spectrum
C8H16O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.10994
LC-ESI-IT; MS2; m/z: 161.0; [M+H]+
MSBNK-Metabolon-MT000066
Acetaminophen
1 spectrum
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06332
LC-ESI-IT; MS2; m/z: 152.1; [M+H]+
MSBNK-Metabolon-MT000047
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