ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010566
RECORD_TITLE: O,O-DIETHYL S-(6-CHLOROBENZOXZAOLON-3-YL)METHYL PHOSPHORODITHIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: O,O-DIETHYL S-(6-CHLOROBENZOXZAOLON-3-YL)METHYL PHOSPHORODITHIOATE
CH$NAME: PHOSALONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅ClNO₄PS₂
CH$EXACT_MASS: 366.98686
CH$SMILES: CCOP(=S)(OCC)SCN(C(=O)1)c(c2)c(cc(Cl)c2)O1
CH$IUPAC: InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
CH$LINK: INCHIKEY IOUNQDKNJZEDEP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024259

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-001i-3901000000-80a2a63054e8b0fc3477
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  39 1.72 17
  41 1.67 17
  45 5.02 50
  46 4.31 43
  47 4.56 46
  50 3.29 33
  51 4.21 42
  61 1.52 15
  62 1.72 17
  63 6.84 68
  64 2.53 25
  65 20.58 206
  74 1.01 10
  75 9.88 99
  76 7.91 79
  77 2.43 24
  78 2.48 25
  80 1.82 18
  85 1.06 11
  90 1.57 16
  91 1.62 16
  93 8.92 89
  95 1.17 12
  97 29.3 293
  99 5.07 51
  101 1.32 13
  102 9.38 94
  103 2.69 27
  108 1.72 17
  109 1.32 13
  111 20.28 203
  112 3.29 33
  113 8.36 84
  114 1.16 12
  121 49.88 499
  122 2.08 21
  125 16.52 165
  126 1.98 20
  127 2.74 27
  129 14.7 147
  131 1.47 15
  138 14.85 149
  139 1.28 13
  140 6.79 68
  141 1.93 19
  142 1.21 12
  143 1.67 17
  153 16.22 162
  154 28.08 281
  155 2.74 27
  156 1.62 16
  157 3.7 37
  169 6.03 60
  170 4.21 42
  171 3.9 39
  172 1.37 14
  182 99.99 999
  183 10.75 108
  184 33.15 332
  185 5.58 56
  199 5.93 59
  367 26.51 265
  368 4.46 45
  369 11.02 110
  370 1.77 18
//