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Name
Formula / Structure
ExactMass
ID
15-Acetyldeoxynivalenol
10 spectra
C17H22O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.13654
LC-APCI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000372
LC-APCI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
AC000377
LC-APCI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000373
LC-APCI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
AC000378
LC-APCI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000374
LC-APCI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
AC000379
LC-APCI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000375
LC-APCI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+
AC000380
LC-APCI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000376
LC-APCI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+
AC000381
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
3-Acetyldeoxynivalenol
10 spectra
C17H22O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
338.13654
LC-APCI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000382
LC-APCI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
AC000387
LC-APCI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000383
LC-APCI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
AC000388
LC-APCI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000384
LC-APCI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
AC000389
LC-APCI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000385
LC-APCI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+
AC000390
LC-APCI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000386
LC-APCI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+
AC000391
4',5-bisdeoxy-dothistromin
5 spectra
C18H12O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.05829
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000921
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000922
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000923
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000924
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000925
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-2H2O+H]+
AC000105
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
AC000100
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-2H2O+H]+
AC000106
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
AC000101
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-2H2O+H]+
AC000107
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
AC000102
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M-2H2O+H]+
AC000108
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M-H2O+H]+
AC000103
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-2H2O+H]+
AC000109
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+
AC000104
7,8-Dihydroxy calonectrin
5 spectra
C19H26O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
382.16275
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+
AC000402
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+
AC000403
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+
AC000404
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+
AC000405
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+
AC000406
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: 10; R=17500; [M+Na]+
AC000011
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000007
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000012
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000008
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000013
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000009
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000014
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000010
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: 10; R=17500; [M+Na]+
AC000021
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000017
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000022
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000018
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000023
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000019
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000024
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000020
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: 35; R=17500; [M+Na]+
AC000030
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000029
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: 30; R=17500; [M+Na]+
AC000035
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000033
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000036
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000034
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: 30; R=17500; [M+Na]+
AC000041
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000039
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000042
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000040
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: 30; R=17500; [M+Na]+
AC000047
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000045
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+
AC000048
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000046
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+
AC000049
Alantrypinone
8 spectra
C21H16N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
372.12222
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000407
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000412
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000408
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000413
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000409
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000414
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000410
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000411
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
Alternaric acid
3 spectra
C21H30O8
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.19406
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000647
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000648
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000649
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
Andrastin C
4 spectra
C27H38O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
458.26685
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H]-
AC000893
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H]-
AC000894
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H]-
AC000895
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H]-
AC000896
Andrastin D
8 spectra
C26H36O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.25629
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000819
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000820
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000821
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H]-
AC000824
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000822
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H]-
AC000825
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000823
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H]-
AC000826
Atranone B
5 spectra
C25H34O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
446.23044
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000916
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000917
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000918
LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
AC000919
LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
AC000920
Aurantiamide
5 spectra
C25H26N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
402.19434
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000714
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000715
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000716
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000717
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000718
Aurantiamide acetate
5 spectra
C27H28N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
444.20490
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000709
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000710
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000711
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000712
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000713
Aurofusarin
5 spectra
C30H18O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
570.07977
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000700
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000701
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000702
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000703
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000704
Austin
5 spectra
C27H32O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
500.20462
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
AC000827
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
AC000828
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000829
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000830
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000831
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Copyright © since 2017
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Responsible: Dr. Tobias Schulze
(tobias.schulze@ufz.de)
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