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Name
Formula / Structure
ExactMass
ID
GABA
3 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000001
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000002
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000003
Adenosine
5 spectra
C10H13N5O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
267.09674
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000009
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000010
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000011
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000012
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000013
Anthranilic acid
5 spectra
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.04768
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000014
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000015
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000016
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000017
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000018
D-Ala
2 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000019
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000020
L-Alanine
3 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000021
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000022
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000023
L-Asparagine
5 spectra
C4H8N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
132.05350
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000024
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000025
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000026
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000027
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000028
L-Aspartic acid
5 spectra
C4H7NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.03751
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000029
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000030
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000031
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000032
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000033
N-Acetylneuraminic acid
5 spectra
C11H19NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
309.10599
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000034
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000035
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000036
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000037
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000038
beta-Alanine
3 spectra
C3H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
89.04768
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000039
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000040
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000041
Acetate
5 spectra
C2H4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
60.02113
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000042
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000043
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000044
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000045
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000046
cis-Aconitic acid
5 spectra
C6H6O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.01643
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000047
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000048
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000049
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000050
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000051
N-Acetyl-L-glutamic acid
5 spectra
C7H11NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
189.06372
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000052
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000053
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000054
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000055
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000056
N-alpha-Acetyl-L-ornithine
5 spectra
C7H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
174.10043
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000057
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000058
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000059
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000060
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000061
Adenylosuccinic acid
10 spectra
C14H18N5O11P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
463.07404
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000062
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000063
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000064
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000065
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000066
LC-ESI-QQ; MS2; CE:10 V; [M-2H]--
KO000067
LC-ESI-QQ; MS2; CE:20 V; [M-2H]--
KO000068
LC-ESI-QQ; MS2; CE:30 V; [M-2H]--
KO000069
LC-ESI-QQ; MS2; CE:40 V; [M-2H]--
KO000070
LC-ESI-QQ; MS2; CE:50 V; [M-2H]--
KO000071
Argininosuccinic acid
5 spectra
C10H18N4O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.12262
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000072
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000073
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000074
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000075
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000076
Acrylic acid
2 spectra
C3H4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
72.02113
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000077
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000078
2-Aminobenzimidazole
5 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000079
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000080
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000081
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000082
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000083
4-Aminobenzoic acid
5 spectra
C7H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
137.04768
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000084
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000085
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000086
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000087
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000088
3-Amino-1,2,4-triazole
5 spectra
C2H4N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
84.04360
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000089
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000090
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000091
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000092
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000093
1-Aminocyclopropane-1-carboxylic acid
2 spectra
C4H7NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
101.04768
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000094
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000095
2-Aminoisobutyric acid
2 spectra
C4H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
103.06333
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000096
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000097
1-Amino-1-cyclopentanecarboxylic acid
5 spectra
C6H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
129.07898
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000098
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000099
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000100
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000101
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000102
6-Aminohexanoic acid
5 spectra
C6H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.09464
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000103
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000104
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000105
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000106
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000107
Ciliatine
5 spectra
C2H8NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.02418
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000108
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000109
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000110
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000111
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000112
1-Aminoethylphosphonic acid
5 spectra
C2H8NO3P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
125.02418
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
KO000113
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
KO000114
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
KO000115
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
KO000116
LC-ESI-QQ; MS2; CE:50 V; [M-H]-
KO000117
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