ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000018
RECORD_TITLE: 2,4-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$NAME: 2,4-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: Cc(c1)cc(C)c(O)c1
CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
CH$LINK: INCHIKEY KUFFULVDNCHOFZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021864

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$SPLASH: splash10-05fr-6900000000-a95cb4f62c467e4d09c0
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  51 21.03 210
  52 8.71 87
  53 14.16 142
  54 2.15 22
  55 4.69 47
  59 2.27 23
  60 5.94 59
  61 4.02 40
  62 4.9 49
  63 7.66 77
  64 3.83 38
  65 10.96 110
  66 3.37 34
  76 10.21 102
  77 36.06 361
  78 15.06 151
  79 20.19 202
  80 2.66 27
  90 4.91 49
  91 24 240
  92 4.01 40
  93 5.97 60
  94 4.7 47
  102 2.32 23
  103 5.51 55
  104 4.2 42
  105 2.97 30
  106 27.2 272
  107 99.99 999
  108 11.4 114
  120 13.14 131
  121 65.1 651
  122 80.71 807
  123 7.43 74
//