ACCESSION: MSBNK-Waters-WA000147
RECORD_TITLE: Benzofenap; 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$NAME: Benzofenap
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₀Cl₂N₂O₃
CH$EXACT_MASS: 430.08510
CH$SMILES: Cc(c3)ccc(c3)C(=O)COc(n(C)2)c(c(C)n2)C(=O)c(c1)c(Cl)c(C)c(Cl)c1
CH$IUPAC: InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3
CH$LINK: CAS 82692-44-2
CH$LINK: INCHIKEY JDWQITFHZOBBFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5058193

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 431.24
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0900000000-8be20c2869621956c051
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  71 16 16
  78 8 8
  91 16 16
  103 8 8
  105 999 999
  106 20 20
  118 215 215
  133 78 78
  139 235 235
  187 27 27
  263 8 8
//