ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008429
RECORD_TITLE: 3,4-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$NAME: 3,4-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: Oc(c1)cc(C)c(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
CH$LINK: INCHIKEY YCOXTKKNXUZSKD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4024062
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$SPLASH: splash10-05fr-5900000000-208c80e9751e0ba311c2
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 1.26 13
  26 1.46 15
  27 8.82 88
  29 1.43 14
  38 3.03 30
  39 15.49 155
  41 4.63 46
  43 1.57 16
  50 6.44 64
  51 12.46 125
  52 5.61 56
  53 8.12 81
  55 2.95 30
  60 1.66 17
  61 1.53 15
  62 2.13 21
  63 5.8 58
  64 1.16 12
  65 7.63 76
  66 2.17 22
  67 1.56 16
  74 1.37 14
  75 1.29 13
  77 24.39 244
  78 6.02 60
  79 8.84 88
  81 1.18 12
  89 1.08 11
  91 14.97 150
  92 1.75 18
  93 2.3 23
  94 2.46 25
  103 2.13 21
  104 1.15 12
  105 1.9 19
  107 99.99 999
  108 8.53 85
  120 1.58 16
  121 45.66 457
  122 81.23 812
  123 6.8 68
//
