ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001320
RECORD_TITLE: BENZOIC ACID PHENYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BENZOIC ACID PHENYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-4900000000-09697e2a85fd3b637811
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  39 3.44 34
  50 2.58 26
  51 10.93 109
  65 1.72 17
  77 37.01 370
  78 1.98 20
  105 99.99 999
  106 7.06 71
  198 6.37 64
//