ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005538
RECORD_TITLE: 3,5-DIPHENYL-2,4,7-OCTANETRIONE; 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$NAME: 3,5-DIPHENYL-2,4,7-OCTANETRIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H20O3
CH$EXACT_MASS: 308.14124
CH$SMILES: CC(=O)CC(c(c2)cccc2)C(=O)C(C(C)=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C20H20O3/c1-14(21)13-18(16-9-5-3-6-10-16)20(23)19(15(2)22)17-11-7-4-8-12-17/h3-12,18-19H,13H2,1-2H3
CH$LINK: INCHIKEY XODLHHIXDHKQQO-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMU-6L
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: splash10-01ox-7960000000-382c197fe84c5e493032
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  27 6.6 66
  39 5 50
  41 9.5 95
  42 9.5 95
  43 62.8 628
  45 3.3 33
  50 1.5 15
  51 4.9 49
  55 27 270
  56 3.4 34
  57 8 80
  60 2.8 28
  63 2.3 23
  65 2.5 25
  69 2.3 23
  71 2.5 25
  72 1.8 18
  77 10.2 102
  78 3.4 34
  79 3.1 31
  89 3.7 37
  90 3.7 37
  91 9.5 95
  92 1.8 18
  94 1.5 15
  102 1.9 19
  103 7.3 73
  104 3.4 34
  105 11.7 117
  106 1.6 16
  115 7.3 73
  116 2 20
  117 4.6 46
  118 4.2 42
  119 4.2 42
  130 1.5 15
  131 4.7 47
  133 23.4 234
  134 10.2 102
  135 1.7 17
  145 1.9 19
  147 6.6 66
  148 2.8 28
  161 99.99 999
  162 18.2 182
  163 1.9 19
  174 3.2 32
  175 5.1 51
  176 1.5 15
  178 2.8 28
  179 2 20
  202 2.4 24
  203 2.4 24
  204 2.1 21
  205 4.8 48
  219 1.8 18
  223 2.6 26
  233 2.1 21
  246 2.1 21
  247 25.5 255
  248 17.5 175
  249 3.8 38
  250 1.7 17
  265 3.8 38
  266 3.3 33
  272 2 20
  273 1.8 18
  274 1.2 12
  275 1 10
  290 62.8 628
  291 14.6 146
  292 2 20
  308 13.1 131
  309 3.5 35
  310 0.4 4
//
