ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006899
RECORD_TITLE: BENZYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: INCHIKEY QUKGYYKBILRGFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020151

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$SPLASH: splash10-052f-9400000000-623c61f61fdb6da2b8d5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  14 1.01 10
  15 6.75 68
  27 2.17 22
  29 1.93 19
  38 2.15 22
  39 12.48 125
  41 2.42 24
  42 1.91 19
  43 56.38 564
  44 1.39 14
  45 1.07 11
  50 7.2 72
  51 18.17 182
  52 3.67 37
  53 1.48 15
  62 2.28 23
  63 7.68 77
  64 1.98 20
  65 17.12 171
  74 1.33 13
  75 1.05 11
  76 1.27 13
  77 22.42 224
  78 5.72 57
  79 25.08 251
  80 1.97 20
  89 12.87 129
  90 42.15 422
  91 71.02 710
  92 5.26 53
  105 4.5 45
  107 17.88 179
  108 99.99 999
  109 7.58 76
  150 32.69 327
  151 2.59 26
//