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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)

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: 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 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
//

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