ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011500
RECORD_TITLE: BENZYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
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$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0006-9200000000-25dd8e6faa7ec0169f6b
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 2.56 26
  27 7.06 71
  28 4.93 49
  29 7.82 78
  30 1.2 12
  31 2.1 21
  37 1.26 13
  38 5.06 51
  39 26.67 267
  40 2.03 20
  41 4.36 44
  42 7.21 72
  43 82.86 829
  44 3.42 34
  45 1.53 15
  50 16.04 160
  51 39.05 391
  52 10.25 103
  53 3.83 38
  61 1.17 12
  62 5.32 53
  63 16.04 160
  64 4.59 46
  65 31.15 312
  66 1.95 20
  74 3.26 33
  75 2.65 27
  76 3.53 35
  77 49.86 499
  78 12.37 124
  79 44.88 449
  80 4.71 47
  89 18.72 187
  90 40.69 407
  91 89.67 897
  92 7.55 76
  105 9.61 96
  106 1.54 15
  107 23.8 238
  108 99.99 999
  109 7.61 76
  150 39.12 391
  151 4.33 43
//