ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005534
RECORD_TITLE: 2,6-DIMETHYL-3,5-DIPHENYL-4-PYRAN-4-THIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 2,6-DIMETHYL-3,5-DIPHENYL-4-PYRAN-4-THIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H16OS
CH$EXACT_MASS: 292.09219
CH$SMILES: c(c3)ccc(c3)C(=C(C)1)C(=S)C(c(c2)cccc2)=C(C)O1
CH$IUPAC: InChI=1S/C19H16OS/c1-13-17(15-9-5-3-6-10-15)19(21)18(14(2)20-13)16-11-7-4-8-12-16/h3-12H,1-2H3
CH$LINK: INCHIKEY RJPSKYMOAGEJKT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40323806
AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0006-2190000000-ae654c58b183d01fbeef
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  28 1.2 12
  29 0.7 7
  31 1.4 14
  32 1.1 11
  39 1.6 16
  41 1 10
  43 20.3 203
  44 0.7 7
  45 1 10
  51 1.7 17
  55 1.2 12
  57 1.6 16
  63 1.7 17
  65 1.2 12
  69 1 10
  71 0.9 9
  75 0.7 7
  77 3.3 33
  78 0.7 7
  81 0.7 7
  83 0.7 7
  85 0.7 7
  87 0.7 7
  88 0.7 7
  89 2.2 22
  90 0.6 6
  91 2.9 29
  92 0.5 5
  93 0.7 7
  95 0.7 7
  97 0.7 7
  101 1.1 11
  102 0.7 7
  103 1.2 12
  105 1.8 18
  113 0.7 7
  114 0.7 7
  115 5.9 59
  116 0.9 9
  117 1.1 11
  121 1.1 11
  122.5 0.7 7
  123 0.6 6
  123.5 0.7 7
  124 0.6 6
  125 0.4 4
  126 0.7 7
  127 1.1 11
  128 0.9 9
  129 1.4 14
  129.5 0.9 9
  132 1.1 11
  134 0.7 7
  135.5 0.6 6
  136 0.7 7
  137 0.7 7
  138 0.6 6
  138.5 0.6 6
  139 1.1 11
  145 1 10
  146 4 40
  146.5 0.9 9
  147 1.7 17
  171 1.7 17
  184 0.7 7
  185 0.7 7
  186 0.6 6
  187 0.6 6
  189 1.6 16
  199 0.4 4
  200 0.6 6
  201 0.4 4
  202 2 20
  203 0.9 9
  213 1.2 12
  214 0.6 6
  215 4.3 43
  216 1.4 14
  221 1.2 12
  232 0.7 7
  233 0.5 5
  234 2.2 22
  235 0.5 5
  245 1.7 17
  246 0.7 7
  247 5.3 53
  248 2.8 28
  249 0.9 9
  258 0.7 7
  259 0.7 7
  261 0.7 7
  275 0.9 9
  276 0.7 7
  277 0.7 7
  289 0.4 4
  290 1.2 12
  291 99.99 999
  292 48.5 485
  293 13.8 138
  294 3.6 36
  295 0.6 6
//
