ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005714
RECORD_TITLE: BENZYL PHENYL KETONE; 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$NAME: BENZYL PHENYL KETONE
CH$NAME: DESOXYBENZOIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₂O
CH$EXACT_MASS: 196.08882
CH$SMILES: O=C(Cc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
CH$LINK: INCHIKEY OTKCEEWUXHVZQI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044430

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$SPLASH: splash10-0a4i-4900000000-59224caa5c9874ac58ea
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 0.44 4
  38 0.5 5
  39 2.06 21
  41 0.39 4
  50 2.41 24
  51 7.63 76
  52 0.72 7
  62 0.54 5
  63 1.56 16
  64 0.45 5
  65 4.08 41
  66 0.33 3
  74 0.89 9
  75 0.7 7
  76 1.18 12
  77 25.56 256
  78 2.03 20
  89 1.23 12
  90 0.71 7
  91 6.47 65
  92 0.56 6
  94 0.23 2
  104 0.28 3
  105 99.99 999
  106 7.86 79
  107 0.48 5
  122 6.94 69
  123 0.57 6
  165 0.95 10
  166 0.24 2
  167 0.2 2
  196 4.9 49
  197 0.95 10
  198 0.1 1
//