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1,002 Hit.
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Name
Formula / Structure
ExactMass
ID
Amantadine
4 spectra
C10H17N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.13609
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF414703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF414702
Ametryn
4 spectra
C9H17N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
227.12050
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF404803
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF404801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF404804
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF404802
Androsterone
2 spectra
C19H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
290.22461
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF416603
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF416604
Atenolol
4 spectra
C14H22N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.16299
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF407603
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407601
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF407604
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF407602
Atrazine
6 spectra
C8H14ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
215.09380
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002903
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002901
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF403303
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403301
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF403304
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF403302
Azoxystrobin
4 spectra
C22H17N3O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
403.11679
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF402203
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF402201
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF402204
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF402202
Benalaxyl
2 spectra
C20H23NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
325.16779
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA003203
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA003201
Bendiocarb
4 spectra
C11H13NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
223.08450
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF402403
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF402401
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF402404
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF402402
Benz[c]acridine
2 spectra
C17H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
229.08910
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001003
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001001
Benzanthrone
2 spectra
C17H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
230.07320
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001203
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001201
Benzo[h]quinoline
2 spectra
C13H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.07350
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000403
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000401
Benzophenone
2 spectra
C13H10O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.07320
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001503
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001501
Benzophenone-4
4 spectra
C14H12O6S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.03549
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF418353
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF418351
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF418354
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF418352
Benzothiazole
3 spectra
C7H5NS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.01430
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF420803
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF420801
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF420802
Benzotriazole
3 spectra
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04830
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000203
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000201
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA000202
Bezafibrate
4 spectra
C19H20ClNO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
361.10809
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF406953
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF406951
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF406954
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF406952
Bisphenol S
8 spectra
C12H10O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.03000
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF424003
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF424053
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF424001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF424004
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF424051
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF424054
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF424002
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF424052
Boscalid
7 spectra
C18H12Cl2N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
342.03271
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF406003
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF406053
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF406004
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF406051
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF406054
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF406002
Butylparaben
16 spectra
C11H14O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.09430
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF415803
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF423403
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF415853
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF423453
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF415801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF415804
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF423401
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF423404
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF415851
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF415854
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF423451
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF423454
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF415802
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF423402
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF415852
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF423452
Caffeine
6 spectra
C8H10N4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
194.08040
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA005003
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA005001
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF408903
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF408901
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF408904
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF408902
Candesartan
2 spectra
C24H20N6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
440.15970
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA007901
LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+
UA007902
Canrenone
4 spectra
C22H28O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
340.20380
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF416403
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF416401
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF416404
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF416402
Capecitabine
4 spectra
C15H22FN3O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
359.14929
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF412953
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF412951
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF412954
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF412952
Carbamazepine
2 spectra
C15H12N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.09500
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA003003
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA003001
Carbazole
2 spectra
C12H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.07350
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000103
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA000101
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mass calculator
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mass calculator
user manual