MassBank Record: WA000232



 Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000232
RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Triflusulfuron-methyl CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H19F3N6O6S CH$EXACT_MASS: 492.10389 CH$SMILES: COC(=O)c(c2)c(c(C)cc2)S(=O)(=O)NC(=O)Nc(n1)nc(OCC(F)(F)F)nc(N(C)C)1 CH$IUPAC: InChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28) CH$LINK: CAS 126535-15-7
AC$INSTRUMENT: QuattroPremier XE, Waters AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$FOCUSED_ION: PRECURSOR_M/Z 493.2 MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03dj-5190000000-f2863b99f5c6600f38c2 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 71 110 110 91 16 16 96 556 556 134 8 8 138 16 16 149 39 39 151 35 35 153 8 8 164 8 8 176 27 27 213 8 8 221 24 24 238 43 43 244 20 20 264 999 999 265 24 24 //