WA000091.txt

ACCESSION: WA000091
RECORD_TITLE: Thiamethoxam; 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$NAME: Thiamethoxam
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 292.06
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0930000000-6f7828f366242966edc6
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  101 8 8
  122 94 94
  123 8 8
  125 12 12
  129 27 27
  131 999 999
  133 16 16
  138 31 31
  144 8 8
  147 12 12
  151 63 63
  155 8 8
  161 16 16
  173 8 8
  175 55 55
  179 39 39
  181 787 787
  182 16 16
  185 8 8
  187 12 12
  209 20 20
  211 748 748
  212 24 24
  215 8 8
  245 8 8
//