ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004013
RECORD_TITLE: PHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O
CH$EXACT_MASS: 94.04186
CH$SMILES: Oc(c1)cccc1
CH$IUPAC: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
CH$LINK: INCHIKEY ISWSIDIOOBJBQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021124

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0006-9000000000-89b0c430b8924ee2afde
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  39 53 530
  40 21 210
  41 1.1 11
  42 0.18 2
  43 1.1 11
  46 1.4 14
  47 8 80
  49 0.24 2
  50 10.5 105
  51 10 100
  52 2 20
  53 0.64 6
  54 1.3 13
  55 15.3 153
  61 5.1 51
  62 0.7 7
  63 10.9 109
  64 3.5 35
  65 39 390
  66 4.6 46
  67 3.1 31
  68 2.2 22
  73 1 10
  74 0.3 3
  75 1.6 16
  76 1.5 15
  77 1.3 13
  79 0.18 2
  93 2.3 23
  94 99.99 999
  95 10.1 101
//