ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007536
RECORD_TITLE: O-ETHYL S,S-DIPHENYL PHOSPHORODITHIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: O-ETHYL S,S-DIPHENYL PHOSPHORODITHIOATE
CH$NAME: EDIFENPHOS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₅O₂PS₂
CH$EXACT_MASS: 310.02511
CH$SMILES: CCOP(=O)(Sc(c2)cccc2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
CH$LINK: CAS 17109-49-8
CH$LINK: INCHIKEY AWZOLILCOUMRDG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7041910

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-02t9-9831000000-97556cafe393a91f33cc
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  45 22.4 224
  47 12.3 123
  50 7.1 71
  51 3.39 34
  58 4.6 46
  59 4.3 43
  62 2.7 27
  63 0.65 7
  64 2.7 27
  65 99.99 999
  66 29.3 293
  67 0.27 3
  69 36.4 364
  70 3 30
  71 3 30
  74 0.35 4
  75 3.5 35
  76 3.2 32
  77 32 320
  78 0.49 5
  82 10.4 104
  83 4.9 49
  84 7.6 76
  94 0.49 5
  96 3.5 35
  97 3.5 35
  105 2.7 27
  108 2.79 28
  109 20.8 208
  110 89 890
  111 33.9 339
  112 0.6 6
  123 6.5 65
  125 2.7 27
  137 3.2 32
  138 0.71 7
  139 4.6 46
  140 3 30
  141 8.2 82
  153 0.32 3
  154 9.3 93
  155 9.8 98
  156 3 30
  157 0.27 3
  169 3.8 38
  172 4.3 43
  173 7.9 79
  174 2.35 24
  175 16.9 169
  183 4.1 41
  184 10.4 104
  185 1.26 13
  186 30.9 309
  187 5.2 52
  189 4.1 41
  201 6.38 64
  202 17.5 175
  203 9 90
  207 4.9 49
  217 0.54 5
  218 44.9 449
  219 7.6 76
  220 5.7 57
  265 0.54 5
  281 3 30
  282 2.7 27
  310 41.3 413
  311 3.36 34
  312 18.6 186
  313 3.2 32
//