ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000012
RECORD_TITLE: 2,6-DIMETHYLPHENOL; 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$NAME: 2,6-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: Cc(c1)c(O)c(C)cc1
CH$IUPAC: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
CH$LINK: INCHIKEY NXXYKOUNUYWIHA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024063
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$SPLASH: splash10-05i0-8900000000-6952903111c603d9229d
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  51 25.28 253
  52 9.97 100
  53 16.56 166
  54 2.27 23
  55 3.82 38
  59 1.85 19
  60 6.05 61
  61 5.01 50
  62 7.16 72
  63 10.36 104
  64 5.32 53
  65 14.27 143
  66 4.16 42
  67 2.07 21
  74 2.31 23
  75 1.95 20
  76 8.81 88
  77 46.18 462
  78 26.28 263
  79 31.17 312
  80 2.91 29
  89 2.31 23
  90 6.99 70
  91 29.44 294
  92 4.89 49
  93 7.36 74
  94 5.94 59
  102 3.98 40
  103 12.12 121
  104 9.2 92
  105 4.48 45
  106 18.66 187
  107 99.99 999
  108 7.81 78
  120 4.99 50
  121 46.7 467
  122 99.24 992
  123 8.76 88
//
