ACCESSION: MSBNK-Waters-WA000231
RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 126535-15-7
CH$LINK: INCHIKEY IMEVJVISCHQJRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2032502

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 30 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$SPLASH: splash10-03di-0090000000-14dff84529a342b67989
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  71 8 8
  96 63 63
  149 12 12
  213 16 16
  238 47 47
  264 999 999
  265 24 24
//