ACCESSION: MSBNK-Waters-WA000005
RECORD_TITLE: Methylazinphos; LC-ESI-QQ; MS2; CE:10 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$NAME: Methylazinphos
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂N₃O₃PS₂
CH$EXACT_MASS: 317.00577
CH$SMILES: COP(=S)(OC)SCN(N=1)C(=O)c(c2)c(ccc2)N1
CH$IUPAC: InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3
CH$LINK: CAS 86-50-0
CH$LINK: INCHIKEY CJJOSEISRRTUQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020122

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 10 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 318.05
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0920000000-e8be7b1a3b12414ccb9f
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  124 8 8
  125 82 82
  131 39 39
  132 157 157
  148 12 12
  154 8 8
  159 27 27
  160 999 999
  161 27 27
  167 8 8
  170 24 24
  171 165 165
  183 8 8
  261 411 411
  262 12 12
  317 12 12
  318 114 114
  319 20 20
//