ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003997
RECORD_TITLE: 3,5-DIMETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-05fr-6900000000-52ec5a2dd18418c63eb9
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  38 6.5 65
  39 25.8 258
  40 2.5 25
  41 0.57 6
  42 1.2 12
  43 2.4 24
  49 1 10
  51 1.5 15
  52 6 60
  53 10.6 106
  54 3.8 38
  55 0.33 3
  59 1 10
  60 1.6 16
  61 2.5 25
  62 0.27 3
  63 6.3 63
  64 1 10
  65 6.6 66
  66 0.38 4
  67 2.3 23
  74 2.1 21
  75 1 10
  76 0.1 1
  77 23.4 234
  78 6.3 63
  79 13.6 136
  80 0.11 1
  81 1 10
  89 1.4 14
  91 14 140
  92 0.15 2
  93 4.2 42
  94 2.1 21
  95 1.4 14
  103 0.16 2
  104 1 10
  105 3 30
  107 80 800
  108 0.59 6
  120 1.3 13
  121 35.4 354
  122 99.99 999
  123 7.9 79
//