ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008430
RECORD_TITLE: 3,5-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$NAME: 3,5-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: Cc(c1)cc(O)cc(C)1
CH$IUPAC: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
CH$LINK: INCHIKEY TUAMRELNJMMDMT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1025148
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$SPLASH: splash10-05fr-6900000000-1505dd8557c9da377e0d
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  15 1.44 14
  26 1.24 12
  27 8.28 83
  29 1.8 18
  38 2.86 29
  39 18.86 189
  40 2.23 22
  41 4.43 44
  43 1.78 18
  50 4.33 43
  51 9.26 93
  52 4.46 45
  53 7.8 78
  55 3.04 30
  60 2.15 22
  61 1.52 15
  62 1.87 19
  63 4.19 42
  64 1.18 12
  65 6.72 67
  66 2.07 21
  67 2.2 22
  74 1.49 15
  75 1.08 11
  77 24.23 242
  78 5.79 58
  79 16.01 160
  80 1.39 14
  81 1.37 14
  91 14.78 148
  92 1.75 18
  93 3.51 35
  94 2.2 22
  95 1.13 11
  103 2.19 22
  104 1.51 15
  105 2.45 25
  107 78.72 787
  108 4.74 47
  121 30.51 305
  122 99.99 999
  123 7.52 75
//
