ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000019
RECORD_TITLE: 2-METHYLPHENOL; 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

CH$NAME: 2-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O
CH$EXACT_MASS: 108.05751
CH$SMILES: Cc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
CH$LINK: INCHIKEY QWVGKYWNOKOFNN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021808

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-0a6r-9600000000-5a01d451557a1b35332a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  51 28.49 285
  52 13.74 137
  53 22.18 222
  54 7.3 73
  55 4.23 42
  61 3.07 31
  62 6.36 64
  63 12.41 124
  64 3.51 35
  65 5.21 52
  66 2.95 30
  74 3.3 33
  76 7.54 75
  77 47.19 472
  78 17.08 171
  79 50.2 502
  80 21.26 213
  81 3.51 35
  89 16.51 165
  90 26.06 261
  91 7.94 79
  106 11.4 114
  107 93.86 939
  108 99.99 999
  109 7.79 78
//