ACCESSION: MSBNK-Waters-WA000049
RECORD_TITLE: Clothianidin; 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$NAME: Clothianidin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈ClN₅O₂S
CH$EXACT_MASS: 249.00872
CH$SMILES: CNC(NCc(c1)sc(Cl)n1)=N[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
CH$LINK: CAS 210880-92-5
CH$LINK: INCHIKEY PGOOBECODWQEAB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2034465

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 249.96
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-02u0-0900000000-c422082c73e9f46c2713
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  110 282 282
  111 16 16
  113 423 423
  119 16 16
  126 12 12
  129 12 12
  132 940 940
  133 12 12
  142 27 27
  147 59 59
  148 20 20
  153 16 16
  167 47 47
  169 999 999
  170 16 16
  172 20 20
  175 43 43
//