MassBank Record: JP003507

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O,O,O-TRIMETHYLPHOSPHOROTHIOATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003507
RECORD_TITLE: O,O,O-TRIMETHYLPHOSPHOROTHIOATE; 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$NAME: O,O,O-TRIMETHYLPHOSPHOROTHIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H9O3PS
CH$EXACT_MASS: 156.001000000000004774847184307873249053955078125
CH$SMILES: COP(=S)(OC)OC
CH$IUPAC: InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3
CH$LINK: COMPTOX DTXSID30164927
CH$LINK: INCHIKEY XWSLYQXUTWUIKM-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08i0-3900000000-183d52dcc8c1df5ba8e1
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43 3.33 33
  45 11.75 118
  46 4.78 48
  59 6.39 64
  72 2.24 22
  79 40.11 401
  80 15.58 156
  93 3.46 35
  95 8.83 88
  109 54.54 545
  110 99.99 999
  111 4.02 40
  125 5.27 53
  126 13.07 131
  141 6.76 68
  152 1.37 14
  156 40.27 403
  157 1.16 12
  158 1.17 12
//