ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010420
RECORD_TITLE: PHOSPHOROTHIOIC ACID O-(2,6-DICHLORO-PARA-TOLYL) O,O-DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PHOSPHOROTHIOIC ACID O-(2,6-DICHLORO-PARA-TOLYL) O,O-DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁Cl₂O₃PS
CH$EXACT_MASS: 299.95436
CH$SMILES: Cc(c1)cc(Cl)c(c(Cl)1)OP(=S)(OC)OC
CH$IUPAC: InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3
CH$LINK: INCHIKEY OBZIQQJJIKNWNO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0034776

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-014i-1290000000-427d0f0a69ae45c67115
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  47 2.96 30
  51 1.49 15
  62 1.54 15
  63 3.25 33
  75 2.07 21
  77 1.63 16
  79 5.15 52
  93 11.7 117
  109 4.96 50
  111 4.15 42
  112 1.94 19
  113 1.41 14
  125 19.27 193
  127 1.08 11
  141 1.39 14
  175 3.22 32
  176 1.32 13
  177 2.07 21
  187 1.47 15
  249 3.81 38
  250 10.08 101
  251 2.46 25
  252 3.83 38
  265 99.99 999
  266 11.84 118
  267 40.53 405
  268 4.91 49
  269 3.18 32
//