ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000016
RECORD_TITLE: 2,3-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$NAME: 2,3-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: Cc(c1)c(C)c(O)cc1
CH$IUPAC: InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3
CH$LINK: INCHIKEY QWBBPBRQALCEIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025143

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$SPLASH: splash10-0adi-6900000000-3ac5300f3e71fb52e12d
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  51 12.91 129
  52 4.92 49
  53 8.31 83
  55 3.21 32
  60 4.8 48
  61 2.86 29
  62 3.03 30
  63 5.14 51
  64 2.25 23
  65 7.71 77
  66 2.24 22
  76 5.19 52
  77 33.89 339
  78 14.56 146
  79 22.68 227
  80 2.23 22
  90 2.31 23
  91 19.07 191
  92 2.93 29
  93 5.67 57
  94 4.88 49
  102 2.13 21
  103 6.96 70
  104 4.11 41
  105 2.52 25
  106 14.96 150
  107 99.99 999
  108 7.75 78
  120 35.03 350
  122 66.39 664
  123 6.35 64
//