ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005533
RECORD_TITLE: 2,6-DIMETHYL-3,5-DIPHENYL-4-PYRONE; 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$NAME: 2,6-DIMETHYL-3,5-DIPHENYL-4-PYRONE
CH$NAME: 2,6-DIMETHYL-3,5-DIPHENYL-GAMMA-PYRONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H16O2
CH$EXACT_MASS: 276.11503
CH$SMILES: c(c3)ccc(c3)C(=C(C)1)C(=O)C(c(c2)cccc2)=C(C)O1
CH$IUPAC: InChI=1S/C19H16O2/c1-13-17(15-9-5-3-6-10-15)19(20)18(14(2)21-13)16-11-7-4-8-12-16/h3-12H,1-2H3
CH$LINK: INCHIKEY YCMLUTKKOKKIMN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20288080
AC$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: splash10-004i-8790000000-60149ccb12c4ad8a9061
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  27 5.5 55
  28 19.5 195
  29 3.5 35
  31 1.5 15
  32 4.5 45
  38 1.5 15
  39 12.5 125
  40 2 20
  41 5.5 55
  42 2 20
  43 32 320
  44 3.5 35
  45 1 10
  50 3 30
  51 9.5 95
  52 2.5 25
  53 2.5 25
  55 15 150
  56 2.5 25
  57 2 20
  62 3 30
  63 14 140
  64 3.5 35
  65 7.5 75
  66 1.5 15
  67 2.5 25
  69 2 20
  74 2 20
  75 3 30
  76 3 30
  77 14 140
  78 6 60
  79 3 30
  81 2 20
  82 1 10
  83 2 20
  85 1.5 15
  87 2 20
  88 3.5 35
  89 20.5 205
  90 22 220
  91 8.5 85
  92 2.5 25
  93 2 20
  95 2 20
  101 3 30
  102 4 40
  103 10 100
  104 4.5 45
  105 4.5 45
  107 2 20
  109 2 20
  111 1.5 15
  113 2.5 25
  114 5 50
  115 49 490
  116 19 190
  117 3.5 35
  118 22.5 225
  119 3.5 35
  126 2 20
  127 5 50
  128 3.5 35
  129 2 20
  130 1 10
  131 3 30
  133 4 40
  136 2.5 25
  137 2 20
  138 5 50
  139 2 20
  141 2 20
  143 1.5 15
  145 2 20
  149 2 20
  150 1.5 15
  151 1.5 15
  152 2 20
  160 3 30
  161 5 50
  162 1.5 15
  163 1.5 15
  164 1.5 15
  165 3 30
  176 2 20
  177 1.5 15
  178 3 30
  179 2 20
  189 4 40
  190 3 30
  191 2 20
  197 2 20
  200 2 20
  201 2 20
  202 6 60
  203 6 60
  204 3.5 35
  205 7 70
  206 2 20
  215 4.5 45
  216 2 20
  218 2.5 25
  219 1.5 15
  230 1.5 15
  231 2 20
  233 3 30
  234 2 20
  235 4.5 45
  236 1.5 15
  247 2.5 25
  248 3 30
  257 1.5 15
  261 3 30
  262 2 20
  276 99.99 999
  277 84 840
  278 20 200
  279 3.5 35
//
