MassBank Record: MSBNK-Waters-WA000049
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
//
system version 2.2.6-SNAPSHOT