MassBank Record: MSBNK-Waters-WA000093
ACCESSION: MSBNK-Waters-WA000093
RECORD_TITLE: Thiamethoxam; 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$NAME: Thiamethoxam
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 292.06
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-053r-0900000000-3561fe43a82b46ff6679
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
106 12 12
108 509 509
109 31 31
112 63 63
113 12 12
118 27 27
120 8 8
122 149 149
123 31 31
124 145 145
126 8 8
131 999 999
133 20 20
138 55 55
139 12 12
146 16 16
150 20 20
152 298 298
153 12 12
165 16 16
175 8 8
181 43 43
//