ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010433
RECORD_TITLE: PHOSPHORODITHIOIC ACID O,O-DIMETHYL S-(ALPHA-(ETHOXYCARBONYL)BENZYL) ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PHOSPHORODITHIOIC ACID O,O-DIMETHYL S-(ALPHA-(ETHOXYCARBONYL)BENZYL) ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₇O₄PS₂
CH$EXACT_MASS: 320.03059
CH$SMILES: CCOC(=O)C(c(c1)cccc1)SP(=S)(OC)OC
CH$IUPAC: InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
CH$LINK: INCHIKEY XAMUDJHXFNRLCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6042280

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$SPLASH: splash10-00di-5980000000-a41c1b6686eaa93e88cb
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  39 1.19 12
  45 1.29 13
  47 3.42 34
  51 1.55 16
  62 1.86 19
  63 6.02 60
  64 1.12 11
  65 1.13 11
  77 6.56 66
  78 2.15 22
  79 12.92 129
  89 5.9 59
  90 8.99 90
  91 19.53 195
  92 1.84 18
  93 34.14 341
  105 1.16 12
  107 19.58 196
  108 1.71 17
  118 9.96 100
  119 1.34 13
  121 38.67 387
  122 5.33 53
  123 3.11 31
  125 42.11 421
  126 2.24 22
  127 2.96 30
  135 20.9 209
  136 2.77 28
  137 1.22 12
  143 2.21 22
  157 13.99 140
  159 1.34 13
  163 13.74 137
  164 3.44 34
  178 1.02 10
  231 1.14 11
  246 24.95 250
  247 15.66 157
  248 3.93 39
  249 1.57 16
  258 1.49 15
  261 1.01 10
  274 99.99 999
  275 14.79 148
  276 12.08 121
  277 1.4 14
  320 10.55 106
  321 1.61 16
  322 1.24 12
//