ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006562
RECORD_TITLE: BENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL ALCOHOL
CH$NAME: PHENYLMETHANOL
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-056r-9400000000-dd0878988e7c2d9a5431
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  26 1.41 14
  27 6.11 61
  29 5.04 50
  31 3.6 36
  37 1.67 17
  38 3.41 34
  39 12.11 121
  49 1.29 13
  50 14.23 142
  51 26.12 261
  52 7.46 75
  53 5.5 55
  54 1 10
  61 1.3 13
  62 2.77 28
  63 6.88 69
  64 1.55 16
  65 7.4 74
  74 3.45 35
  75 2.25 23
  76 1.6 16
  77 56.72 567
  78 12.43 124
  79 99.99 999
  80 10.1 101
  89 6.21 62
  90 8.2 82
  91 16.19 162
  92 1.04 10
  105 3.29 33
  107 66.2 662
  108 94.91 949
  109 7.36 74
//