ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008428
RECORD_TITLE: 2,4-DIMETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05fr-7900000000-22dd63ee8c11ac7a03ae
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 1.99 20
  26 2.18 22
  27 12.52 125
  28 4.97 50
  29 1.44 14
  37 1.25 13
  38 3.63 36
  39 19.21 192
  41 5.72 57
  43 2.43 24
  45 1.14 11
  50 5.85 59
  51 15.48 155
  52 5.4 54
  53 10.46 105
  55 3.23 32
  60 2.34 23
  61 1.96 20
  62 3.37 34
  63 6.4 64
  64 2 20
  65 10.46 105
  66 2.71 27
  67 1.52 15
  74 1.73 17
  75 1.56 16
  76 1.25 13
  77 30 300
  78 10.14 101
  79 15.9 159
  80 1.33 13
  81 1.06 11
  89 1.43 14
  91 20.42 204
  92 2.44 24
  93 3.5 35
  94 3.06 31
  102 1.1 11
  103 3.96 40
  104 3.23 32
  105 3.09 31
  107 93.98 940
  108 6.36 64
  120 1.14 11
  121 51.05 511
  122 99.99 999
  123 6.97 70
//