MassBank Record: MSBNK-Waters-WA000051
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
//