ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003249
RECORD_TITLE: DIMETHOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂NO₃PS₂
CH$EXACT_MASS: 228.99962
CH$SMILES: CNC(=O)CSP(=S)(OC)OC
CH$IUPAC: InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
CH$LINK: INCHIKEY MCWXGJITAZMZEV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020479

AC$INSTRUMENT: HITACHI RMU-6E
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004u-9300000000-683772124d452cc04e64
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  47 43 430
  56 21 210
  58 47 470
  63 34 340
  79 34 340
  87 99.99 999
  88 22 220
  93 81 810
  104 17 170
  105 15 150
  125 80 800
  126 22 220
  143 29 290
  229 38 380
//