ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001517
RECORD_TITLE: BENZYL PROPIONATE; EI-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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4l-9400000000-f4b445308e65b99d86be
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  26 2.27 23
  27 10.67 107
  28 3.53 35
  29 34.11 341
  30 1.26 13
  38 1.64 16
  39 11.43 114
  40 1.04 10
  41 2.96 30
  50 4.19 42
  51 12.11 121
  52 3.34 33
  53 1.29 13
  55 1.17 12
  56 1.32 13
  57 48.43 484
  58 1.98 20
  62 1.61 16
  63 5.86 59
  64 2.02 20
  65 18.35 184
  66 1.27 13
  74 1.2 12
  75 1.11 11
  76 1.7 17
  77 13.97 140
  78 3.87 39
  79 18.35 184
  80 1.83 18
  89 8.75 88
  90 29.55 296
  91 99.99 999
  92 7.77 78
  105 4.94 49
  106 1.14 11
  107 12.65 127
  108 98.65 987
  109 8.22 82
  164 34.62 346
  165 4.06 41
//