ACCESSION: MSBNK-Waters-WA000003
RECORD_TITLE: Azamethiphos; 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$NAME: Azamethiphos
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀ClN₂O₅PS
CH$EXACT_MASS: 323.97366
CH$SMILES: COP(=O)(OC)SCN(C(=O)1)c(n2)c(cc(Cl)c2)O1
CH$IUPAC: InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3
CH$LINK: CAS 35575-96-3
CH$LINK: INCHIKEY VNKBTWQZTQIWDV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9034818

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 325.03
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001r-0900000000-85828b8e7936558317d4
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  111 176 176
  124 16 16
  138 12 12
  139 740 740
  140 12 12
  183 999 999
  184 27 27
//