ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010488
RECORD_TITLE: 2,4-DIMETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0kor-9300000000-3a05618233448adccb69
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  15 13.48 135
  26 11.55 116
  27 38.44 384
  29 11.57 116
  31 1.66 17
  37 4.9 49
  38 16.1 161
  39 63.81 638
  40 10.77 108
  41 17.26 173
  42 3.33 33
  43 6.71 67
  49 2.31 23
  50 25.02 250
  51 43.83 438
  52 19.6 196
  53 28.93 289
  54 3.85 39
  55 9.22 92
  60 2.22 22
  61 5.58 56
  62 12.17 122
  63 27.74 277
  64 6.74 67
  65 25.66 257
  66 10.14 101
  67 4.98 50
  68 1.45 15
  73 1.37 14
  74 6.57 66
  75 5.02 50
  76 3.99 40
  77 56.09 561
  78 20.21 202
  79 27.54 275
  80 2.78 28
  81 3.05 31
  82 1.24 12
  86 1.74 17
  87 1.72 17
  89 4.39 44
  90 2 20
  91 38.57 386
  92 6.75 68
  93 6.25 63
  94 10.81 108
  95 3.33 33
  102 3.06 31
  103 6.63 66
  104 4.61 46
  105 4.8 48
  107 99.99 999
  108 8.65 87
  119 1.04 10
  120 1.51 15
  121 45.09 451
  122 91.49 915
  123 8.47 85
//