ACCESSION: MSBNK-Waters-WA000051
RECORD_TITLE: Clothianidin; 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$NAME: Clothianidin
CH$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 40 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$SPLASH: splash10-03di-0900000000-645ccf1bc7072f8845a7
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  101 16 16
  107 12 12
  108 63 63
  110 999 999
  111 71 71
  113 823 823
  114 12 12
  118 8 8
  119 114 114
  121 8 8
  124 16 16
  126 43 43
  128 12 12
  132 588 588
  133 59 59
  138 8 8
  142 16 16
  145 8 8
  147 59 59
  153 24 24
  167 16 16
  169 20 20
  172 16 16
  175 8 8
//