ACCESSION: MSBNK-Waters-WA000264
RECORD_TITLE: Fomesafen; 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$NAME: Fomesafen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀ClF₃N₂O₆S
CH$EXACT_MASS: 437.99002
CH$SMILES: O=N(=O)c(c2)c(cc(c2)Oc(c1)c(Cl)cc(c1)C(F)(F)F)C(=O)NS(C)(=O)=O
CH$IUPAC: InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
CH$LINK: CAS 72178-02-0
CH$LINK: INCHIKEY BGZZWXTVIYUUEY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7024112

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 437
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0002-0930000000-f6c1e3c00e9dacd3547b
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  107 35 35
  120 8 8
  137 67 67
  138 8 8
  175 47 47
  182 12 12
  189 8 8
  195 999 999
  202 8 8
  207 12 12
  222 454 454
  286 12 12
//