MassBank Record: MSBNK-Waters-WA000092
ACCESSION: MSBNK-Waters-WA000092
RECORD_TITLE: Thiamethoxam; LC-ESI-QQ; MS2; CE:30 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$NAME: Thiamethoxam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10ClN5O3S
CH$EXACT_MASS: 291.01929
CH$SMILES: O=N(=O)N=C(N(C)2)N(COC2)Cc(c1)sc(Cl)n1
CH$IUPAC: InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8-
CH$LINK: CAS
153719-23-4
CH$LINK: INCHIKEY
NWWZPOKUUAIXIW-FLIBITNWSA-N
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 292.06
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0900000000-aa0eb498dbbc05ade04e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
108 102 102
112 35 35
118 8 8
122 188 188
123 20 20
125 86 86
126 8 8
129 12 12
132 999 999
133 27 27
137 12 12
138 43 43
145 8 8
146 24 24
150 16 16
152 298 298
153 20 20
161 8 8
165 8 8
172 8 8
175 24 24
179 12 12
181 360 360
182 12 12
211 24 24
//