ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010430
RECORD_TITLE: PHOSPHORODITHIOIC ACID O,O-DIETHYL S-(2-(ETHYLTHIO)ETHYL) ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PHOSPHORODITHIOIC ACID O,O-DIETHYL S-(2-(ETHYLTHIO)ETHYL) ESTER
CH$NAME: DISULFOTON
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₉O₂PS₃
CH$EXACT_MASS: 274.02848
CH$SMILES: CCSCCSP(=S)(OCC)OCC
CH$IUPAC: InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
CH$LINK: INCHIKEY DOFZAZXDOSGAJZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022018

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$SPLASH: splash10-000i-9300000000-b8f166d101cbcb075e78
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  45 2.8 28
  46 1.14 11
  47 4.55 46
  55 1.09 11
  59 5.26 53
  60 20.85 209
  61 20 200
  62 1.74 17
  63 1.23 12
  64 1.16 12
  65 10.6 106
  73 1.18 12
  75 4.83 48
  88 99.99 999
  89 39.52 395
  90 6.19 62
  91 2.06 21
  93 8.91 89
  97 19.87 199
  99 1.11 11
  109 4.27 43
  112 1.39 14
  114 3.24 32
  121 3.48 35
  124 1.04 10
  125 13.31 133
  129 6.14 61
  130 1.55 16
  131 1.79 18
  142 16.15 162
  144 1.5 15
  153 14.75 148
  155 1.08 11
  157 3.31 33
  158 5.09 51
  159 2.05 21
  161 1.06 11
  185 1.36 14
  186 15.44 154
  187 4.3 43
  188 1.65 17
  189 2.84 28
  212 1.13 11
  213 1.52 15
  245 1.54 15
  274 12.83 128
  275 1.7 17
  276 1.81 18
//