ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006149
RECORD_TITLE: BENZYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₂
CH$EXACT_MASS: 226.09938
CH$SMILES: O=C(OCc(c2)cccc2)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
CH$LINK: INCHIKEY MIYFJEKZLFWKLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024597

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-6831da3ba6ae0b8c0c19
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  65 4.33 43
  77 0.61 6
  91 99.99 999
  92 8.66 87
  108 1.97 20
  226 1.35 14
  227 0.21 2
//