MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003298

BENZYL ALCOHOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003298
RECORD_TITLE: BENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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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

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AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-056r-9300000000-fb124b56257906cce9f1
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  49 2.9 29
  50 20 200
  51 50.5 505
  52 10.1 101
  53 8.3 83
  54 2.1 21
  60 2.7 27
  61 5.3 53
  62 12.3 123
  63 2 20
  65 9.1 91
  74 4.3 43
  75 3.1 31
  76 2.7 27
  77 67.1 671
  78 13.1 131
  79 99.99 999
  80 11.8 118
  89 7 70
  90 7.1 71
  91 75.3 753
  92 5.8 58
  105 3 30
  107 46.9 469
  108 98.7 987
  109 7.4 74
//