ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001515
RECORD_TITLE: BENZYL ALCOHOL; 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$NAME: BENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O
CH$EXACT_MASS: 108.05751
CH$SMILES: OCc(c1)cccc1
CH$IUPAC: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
CH$LINK: INCHIKEY WVDDGKGOMKODPV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020152

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$SPLASH: splash10-056r-9400000000-f70e9531a9225476a41e
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  26 2.1 21
  27 8.55 86
  28 1.15 12
  29 5.21 52
  31 3.94 39
  37 2.32 23
  38 4.81 48
  39 14.59 146
  40 1.53 15
  41 1.83 18
  43 1.23 12
  44 1.18 12
  49 1.66 17
  50 13.59 136
  51 27.76 278
  52 8.12 81
  53 7.35 74
  53.5 2.73 27
  54 2.08 21
  55 1.15 12
  61 1.5 15
  62 3.25 33
  63 6.97 70
  64 1.86 19
  65 7.95 80
  66 1.01 10
  73 1.12 11
  74 3.99 40
  75 2.65 27
  76 2.32 23
  77 51.45 515
  78 12.16 122
  79 99.99 999
  80 10.85 109
  89 6.42 64
  90 9.04 90
  91 16.86 169
  92 1.75 18
  105 4.12 41
  106 1.15 12
  107 64.08 641
  108 83.32 833
  109 6.56 66
//