MassBank Record: MSBNK-Waters-WA000048

Clothianidin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000048
RECORD_TITLE: Clothianidin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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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

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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 10 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 249.96
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-014i-0920000000-5d130b8b978272611c5f
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  110 8 8
  112 20 20
  129 8 8
  131 486 486
  147 8 8
  167 94 94
  169 999 999
  170 16 16
  173 8 8
  175 8 8
  204 43 43
  206 47 47
  220 12 12
  250 321 321
  251 12 12
//