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CASMI_2016
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622 Hit.
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Name
Formula / Structure
ExactMass
ID
Prothioconazole-desthio
1 spectrum
C14H15Cl2N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
311.05923
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM843701
Purpurin
1 spectrum
C14H8O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
256.03717
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM837253
Pyraclostrobin
1 spectrum
C19H18ClN3O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.09857
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM846802
Pyrazol
1 spectrum
C3H4N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
68.03745
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM815402
Pyrazophos
1 spectrum
C14H20N3O5PS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
373.08612
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM847502
Pyridine
1 spectrum
C5H5N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
79.04220
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM813501
Pyrrol
1 spectrum
C4H5N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
67.04220
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM815506
quinmerac
1 spectrum
C11H8ClNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
221.02435
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM846901
Quinoxaline
1 spectrum
C8H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
130.05310
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM808501
Quinoxyfen
1 spectrum
C15H8Cl2FNO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
306.99670
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM843104
Raloxifene
2 spectra
C28H27NO4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
473.16608
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM853603
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM853653
Risperidone
1 spectrum
C23H27FN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.21179
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM851301
Saccharin
1 spectrum
C7H5NO3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.99899
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM867051
Secobarbital
1 spectrum
C12H18N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
238.13174
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM834653
Sertraline
1 spectrum
C17H17Cl2N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
305.07379
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM862703
Simazine
1 spectrum
C7H12ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.07813
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM840901
Simetryn
1 spectrum
C8H15N5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.10481
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM840401
Spiroxamine
1 spectrum
C18H35NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
297.26678
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM840301
Sulcotrione
3 spectra
C14H13ClO5S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
328.01721
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM865801
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM837451
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM865851
Sulfadimethoxine
2 spectra
C12H14N4O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.07358
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM854202
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM854253
Sulfamethazine
1 spectrum
C12H14N4O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.08374
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM850301
Sulfamethoxazole
1 spectrum
C10H11N3O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.05211
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM856302
Tamoxifen
1 spectrum
C26H29NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
371.22491
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM861203
TDCPP
1 spectrum
C9H15Cl6O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
427.88391
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM880902
Tebuconazole
1 spectrum
C16H22ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
307.14514
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM842302
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