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Name
Formula / Structure
ExactMass
ID
Mellein
5 spectra
C10H10O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.06299
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000001
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000002
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000003
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000004
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000005
AAL toxin TB
10 spectra
C25H47NO9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
505.32507
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000006
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000007
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000008
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000009
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000010
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000011
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000012
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000013
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000014
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000015
Aflatoxin B1
10 spectra
C17H12O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
312.06339
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000016
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000017
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000018
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000019
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000020
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000021
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000022
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000023
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000024
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000025
Aflatoxin B2
6 spectra
C17H14O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.07901
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000026
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000027
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000028
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000029
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000030
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000031
Aflatoxin G1
6 spectra
C17H12O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.05829
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000032
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000033
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000034
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000035
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000036
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000037
Aflatoxin G2
6 spectra
C17H14O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
330.07394
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000038
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000039
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000040
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000041
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000042
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000043
Aflatoxin M1
6 spectra
C17H12O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.05829
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000044
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000045
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000046
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000047
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000048
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000049
alpha-Cyclopiazonic acid
5 spectra
C20H20N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.14740
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000050
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000051
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000052
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000053
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000054
Altenuene
5 spectra
C15H16O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
292.09467
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000055
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000056
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000057
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000058
LC-ESI-ITFT; MS2; CE: 45; R=17500; [M+H]+
AC000059
Alternariol
3 spectra
C14H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.05280
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000060
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000061
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000062
Alternariol methyl ether
3 spectra
C15H12O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.06845
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000063
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000064
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000065
Altersolanol A
5 spectra
C16H16O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
336.08450
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000066
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000067
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000068
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000069
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000070
Averufin
5 spectra
C20H16O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.08960
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000071
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000072
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000073
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000074
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000075
Brevianamide A
5 spectra
C21H23N3O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
365.17395
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000076
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000077
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000078
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000079
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000080
Chaetoglobosin A
9 spectra
C32H36N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
528.26245
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000081
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000082
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000083
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000084
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000085
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000086
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000087
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000088
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000089
Chaetoglobosin C
5 spectra
C32H36N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
528.26245
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000090
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000091
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000092
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000093
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000094
Culmorin
5 spectra
C15H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.19330
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000095
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000096
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000097
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000098
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000099
5-hydroxyculmorin
10 spectra
C15H26O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.18822
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
AC000100
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
AC000101
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
AC000102
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M-H2O+H]+
AC000103
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+
AC000104
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-2H2O+H]+
AC000105
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-2H2O+H]+
AC000106
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-2H2O+H]+
AC000107
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M-2H2O+H]+
AC000108
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-2H2O+H]+
AC000109
Deoxynivalenol
5 spectra
C15H20O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.12598
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000110
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000111
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000112
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000113
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000114
3,15-Diacetyldeoxynivalenol
5 spectra
C19H24O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
380.14709
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000115
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000116
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000117
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000118
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000119
Diacetoxyscirpenol
10 spectra
C19H26O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
366.16785
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000120
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000121
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000122
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000123
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000124
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000125
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000126
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000127
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000128
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000129
Emodin
5 spectra
C15H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.05280
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000130
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000131
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000132
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000133
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000134
Frequentin
5 spectra
C14H20O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.13615
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000135
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000136
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000137
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000138
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000139
Fusarenone-X
10 spectra
C17H22O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
354.13144
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000140
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000141
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000142
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000143
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000144
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000145
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000146
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000147
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000148
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000149
HT-2 Toxin
10 spectra
C22H32O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
424.20972
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000150
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000151
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000152
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000153
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000154
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000155
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000156
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000157
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000158
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000159
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