ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008193
RECORD_TITLE: DIETHYL CHLOROTHIOPHOSPHATE; 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$NAME: DIETHYL CHLOROTHIOPHOSPHATE
CH$NAME: DIETHYL PHOSPHOROCHLORIDOTHIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀ClO₂PS
CH$EXACT_MASS: 187.98276
CH$SMILES: CCOP(=S)(Cl)OCC
CH$IUPAC: InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3
CH$LINK: CAS 2524-04-1
CH$LINK: INCHIKEY KMJJJTCKNZYTEY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027487

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$SPLASH: splash10-00pv-5900000000-1cd2bdbed5b018a377e2
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  14 1.53 15
  15 4.72 47
  26 12.07 121
  27 55.46 555
  28 16.21 162
  29 58.11 581
  30 1.98 20
  31 1.44 14
  32 2.96 30
  34 1.57 16
  35 1.77 18
  42 1.89 19
  43 11.32 113
  44 1.84 18
  45 31.47 315
  47 19.97 200
  48 2.58 26
  49 1.13 11
  58 1.43 14
  59 2.63 26
  60 4.81 48
  61 3.34 33
  62 4.72 47
  63 8.01 80
  64 3.46 35
  65 14.34 143
  66 1.95 20
  67 2.14 21
  79 9.52 95
  80 5.72 57
  81 1.35 14
  83 17.45 175
  85 5.67 57
  91 1.45 15
  93 3.39 34
  96 5.52 55
  97 61.38 614
  98 2.35 24
  99 9.93 99
  100 5.9 59
  101 2.89 29
  102 1.81 18
  111 12.23 122
  113 4.23 42
  114 4.23 42
  115 32.14 321
  116 49.47 495
  117 13.86 139
  118 18.43 184
  119 1.4 14
  121 2.23 22
  122 1.4 14
  125 21.41 214
  126 1.43 14
  127 3.68 37
  128 1.33 13
  129 1.43 14
  131 6.12 61
  132 64.48 645
  133 37.34 373
  134 24.72 247
  135 13.27 133
  136 1.03 10
  143 7.54 75
  144 58.4 584
  145 7.66 77
  146 21.77 218
  147 1.88 19
  153 12.96 130
  154 1 10
  159 2.18 22
  160 6.83 68
  161 15.36 154
  162 2.89 29
  163 5.43 54
  188 99.99 999
  189 8.62 86
  190 36.32 363
  191 2.93 29
  192 1.63 16
//