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CASMI_2016
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622 Hit.
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Name
Formula / Structure
ExactMass
ID
Triamcinolone
1 spectrum
C21H27FO6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
394.17917
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM873501
Tribenzylamine
1 spectrum
C21H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.16739
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM837601
Triclocarban
3 spectra
C13H9Cl3N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
313.97806
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM880703
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM824552
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM880751
Triclosan
2 spectra
C12H7Cl3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
287.95117
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM824651
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM863253
Tricresylphosphate
1 spectrum
C21H21O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
368.11774
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM883201
Triethylcitrate
1 spectrum
C12H20O7
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
276.12091
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM878101
Triethylphosphate
1 spectrum
C6H15O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
182.07080
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM883101
Trifloxystrobin
1 spectrum
C20H19F3N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
408.12970
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM838602
Triglyme
1 spectrum
C8H18O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
178.12051
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM867901
Triphenylphosphate
2 spectra
C18H15O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.07080
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM824902
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM879502
Triphenylphosphine oxide
2 spectra
C18H15OP
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.08606
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM825001
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM881301
Tris(1,3-dichlorisopropyl)phosphate (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]+
SM819401
Tris(1-chloro-2-propyl)phosphate
1 spectrum
C9H18Cl3O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
326.00082
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM881002
Tris(2-chloroethyl)phosphate
2 spectra
C6H12Cl3O4P
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.95389
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM825201
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM879001
Valsartan
2 spectra
C24H29N5O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
435.22705
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM860801
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM860851
Vardenafil
1 spectrum
C23H32N6O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
488.22061
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM852853
Venlafaxine
1 spectrum
C17H27NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
277.20419
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM832201
Verapamil
1 spectrum
C27H38N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
454.28317
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM855703
Warfarin
2 spectra
C19H16O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.10486
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM834702
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
SM834752
Ziprasidone
1 spectrum
C21H21ClN4OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
412.11246
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
SM852903
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