ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005967
RECORD_TITLE: BENZYL PROPIONATE; CI-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$NAME: BENZYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: INCHIKEY VHOMAPWVLKRQAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4044791

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a4l-9700000000-01d3d763e4951c304848
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  77 9.8 98
  78 2.97 30
  79 18.43 184
  80 1.97 20
  89 42.25 423
  90 18.46 185
  91 91.9 919
  92 8.42 84
  105 3.71 37
  106 1.22 12
  107 47.39 474
  108 99.99 999
  109 6.07 61
  164 5.61 56
//