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Name
Formula / Structure
ExactMass
ID
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
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: 20; R=17500; [M+H]+
AC000408
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
AC000409
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M+H]+
AC000410
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000411
LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+
AC000412
LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+
AC000413
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+
AC000414
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
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
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
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
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: 40; R=17500; [M+H]+
AC000822
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M+H]+
AC000823
LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H]-
AC000824
LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H]-
AC000825
LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H]-
AC000826
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
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
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
Azithromycin
5 spectra
C38H72N2O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
748.50848
LC-ESI-QTOF; MS2; CE: Ramp 30.8-46.2 eV; R=35000; [M+H]+
AU105202
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU105203
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU105204
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU105205
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU105206
Albendazole
3 spectra
C12H15N3O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
265.08850
LC-ESI-QTOF; MS2; CE: Ramp 20.4-30.6 eV; R=35000; [M+H]+
AU105801
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU105804
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU105805
Albendazole Sulfone
3 spectra
C12H15N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.07831
LC-ESI-QTOF; MS2; CE: Ramp 21.5-32.3 eV; R=35000; [M+H]+
AU105901
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU105904
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU105905
Albendazole Sulfoxide
5 spectra
C12H15N3O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
281.08340
LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
AU106001
LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
AU106002
LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+
AU106003
LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
AU106004
LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
AU106005
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