ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008508
RECORD_TITLE: BENZYL PHENYLACETATE; 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$NAME: BENZYL PHENYLACETATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9000000000-43beb664c9482065b76e
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  39 4.86 49
  41 1.14 11
  51 3.5 35
  63 2.12 21
  65 11.75 118
  77 2.41 24
  89 2.18 22
  90 1.76 18
  91 99.99 999
  92 9.23 92
  108 1.92 19
  226 5.06 51
//