ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008373
RECORD_TITLE: BENZYL PROPIONATE; 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$NAME: BENZYL PROPIONATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-054o-9300000000-a80032bb114fcc1ab469
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  26 2.2 22
  27 13.57 136
  28 2.06 21
  29 30.91 309
  38 1.26 13
  39 10.94 109
  41 2.25 23
  50 4.36 44
  51 12.31 123
  52 2.56 26
  57 40.82 408
  58 1.27 13
  62 1.34 13
  63 5.74 57
  64 1.75 18
  65 17.69 177
  77 14.3 143
  78 2.92 29
  79 14.25 143
  80 1.04 10
  89 8.18 82
  90 23.98 240
  91 99.99 999
  92 7.52 75
  105 3.21 32
  107 9.93 99
  108 79.65 797
  109 5.96 60
  164 24.75 248
  165 2.44 24
//