ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010733
RECORD_TITLE: BENSULIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BENSULIDE
CH$NAME: O,O-DIISOPROPYL S-2-BENZENESULFONAMINOETHYLPHOSPHORODITHIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₄NO₄PS₃
CH$EXACT_MASS: 397.06051
CH$SMILES: CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3
CH$LINK: INCHIKEY RRNIZKPFKNDSRS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9032329

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00si-1930000000-bf0e986e543d9007232d
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  30 2.53 25
  39 1.94 19
  40 1.15 12
  41 5.7 57
  42 5.64 56
  43 10.41 104
  44 1.59 16
  45 1.16 12
  59 2.64 26
  60 2.81 28
  61 1.38 14
  65 2.6 26
  74 4.16 42
  75 3.11 31
  76 7.38 74
  77 25.85 259
  78 2.86 29
  92 13.88 139
  93 1.74 17
  97 4.17 42
  98 2.03 20
  106 1.59 16
  107 7.52 75
  118 10.44 104
  119 28.12 281
  120 2.61 26
  124 2.34 23
  125 8.65 87
  126 1.87 19
  129 4.69 47
  130 49.56 496
  131 72.08 721
  132 6.13 61
  133 6.03 60
  138 4.09 41
  139 12.84 128
  140 4.57 46
  141 44.21 442
  142 3.54 35
  143 3.94 39
  144 13.2 132
  145 1.72 17
  146 1.23 12
  155 1.52 15
  156 19.77 198
  157 6.43 64
  158 8.47 85
  159 1.11 11
  170 48.47 485
  171 5.43 54
  172 70.36 704
  173 8.91 89
  175 5.41 54
  183 20.97 210
  184 36.95 370
  185 4.49 45
  186 3.07 31
  198 2.25 23
  200 1.22 12
  214 64.84 648
  215 99.99 999
  216 14.78 148
  217 11.72 117
  218 3.97 40
  256 13.81 138
  258 1.45 15
  278 1.38 14
  296 5.64 56
  397 0.39 4
//