MassBank Record: WA000051



 Clothianidin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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: Copyright 2007-2011 Nihon Waters K.K.

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$LINK: CAS 210880-92-5
AC$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 //