ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009489
RECORD_TITLE: 1,3-DIPHENYLACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DIPHENYLACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O
CH$EXACT_MASS: 210.10447
CH$SMILES: O=C(Cc(c2)cccc2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
CH$LINK: CAS 102-04-5
CH$LINK: INCHIKEY YFKBXYGUSOXJGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5059244

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$SPLASH: splash10-0006-9000000000-1a46c1ad4fe2dc9b7120
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  14 2.43 24
  15 3.96 40
  17 1.4 14
  18 3.14 31
  26 3.14 31
  27 9.42 94
  28 7.18 72
  29 9.31 93
  30 2.33 23
  31 38.56 386
  32 1.53 15
  39 5.38 54
  41 1.92 19
  42 1.54 15
  43 4.05 41
  45 16.77 168
  46 7.49 75
  50 1.44 14
  51 3.12 31
  63 3.68 37
  64 1.32 13
  65 15.58 156
  66 1.2 12
  77 2.81 28
  89 4.9 49
  90 3.55 36
  91 99.99 999
  92 8.82 88
  105 2.99 30
  106 1.26 13
  118 6.15 62
  119 9.38 94
  210 9.55 96
  211 1.75 18
//