ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008494
RECORD_TITLE: PHENYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4i-7900000000-d3233245afe6c2f74b31
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  27 1.04 10
  38 1.44 14
  39 8.74 87
  50 5.83 58
  51 17.53 175
  63 1.65 17
  65 6.26 63
  74 1.12 11
  76 1.68 17
  77 44.93 449
  78 2.32 23
  105 99.99 999
  106 7.32 73
  198 5.32 53
//