ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001513
RECORD_TITLE: PHENYL BENZOATE; 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$NAME: PHENYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀O₂
CH$EXACT_MASS: 198.06808
CH$SMILES: O=C(Oc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY FCJSHPDYVMKCHI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0048210

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-7900000000-c4339fd58280cab5aaf0
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 1.72 17
  28 1.69 17
  38 1.65 17
  39 8.99 90
  50 5.64 56
  51 18.56 186
  52 1.02 10
  63 1.71 17
  65 4.6 46
  74 1.24 12
  75 1.26 13
  76 2.44 24
  77 48.28 483
  78 3.5 35
  105 99.99 999
  106 7.93 79
  198 8.89 89
  199 1.31 13
//