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MassBank Record: WA000084

Thiacloprid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: WA000084
RECORD_TITLE: Thiacloprid; 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$NAME: Thiacloprid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9ClN4S
CH$EXACT_MASS: 252.02364
CH$SMILES: N#CN=C(S2)N(CC2)Cc(c1)cnc(Cl)c1
CH$IUPAC: InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-
CH$LINK: CAS 111988-49-9
CH$LINK: INCHIKEY HOKKPVIRMVDYPB-UVTDQMKNSA-N
CH$LINK: COMPTOX DTXSID7034961

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 253
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004m-9400000000-ad42693e2f71278991b0
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  63 74 74
  64 39 39
  72 180 180
  90 991 991
  91 74 74
  98 721 721
  100 8 8
  126 999 999
  127 20 20
//

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