ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011094
RECORD_TITLE: 1,3-DIPHENYL-1,3-PROPANEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DIPHENYL-1,3-PROPANEDIONE
CH$NAME: DIBENZOYLMETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂O₂
CH$EXACT_MASS: 224.08373
CH$SMILES: O=C(CC(=O)c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
CH$LINK: CAS 120-46-7
CH$LINK: INCHIKEY NZZIMKJIVMHWJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3041247

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$SPLASH: splash10-00di-9580000000-1f78aae39096171fa750
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  27 1.75 18
  39 5.83 58
  41 1.04 10
  50 8.35 84
  51 25.95 260
  52 2.54 25
  62 1.51 15
  63 4.92 49
  64 1.44 14
  65 8.15 82
  69 55.77 558
  70 1.8 18
  74 3.01 30
  75 3.64 36
  76 5.47 55
  77 62.72 627
  78 11.04 110
  79 1.5 15
  89 6.44 64
  90 4.38 44
  91 7.75 78
  98 1.68 17
  102 4.08 41
  103 3.02 30
  105 60.65 607
  106 4.8 48
  118 3.6 36
  146 1.33 13
  147 52.93 529
  148 5.16 52
  152 1.24 12
  165 2.05 21
  167 1.47 15
  178 1.86 19
  195 1.27 13
  196 1.9 19
  207 1.09 11
  223 82.93 829
  224 99.99 999
  225 16.52 165
  226 1.66 17
//