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MassBank Record: WA000146

Benzofenap; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000146
RECORD_TITLE: Benzofenap; LC-ESI-QQ; MS2; CE:20 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 20 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$SPLASH: splash10-067i-0900200000-42fa30c399bcc7f5dfda
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  105 529 529
  106 8 8
  118 999 999
  120 27 27
  133 337 337
  134 8 8
  139 357 357
  187 43 43
  247 8 8
  263 24 24
  299 141 141
  300 8 8
  395 78 78
  403 27 27
  431 627 627
  433 47 47
//

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