ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010800
RECORD_TITLE: 2,5-DIMETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 2,5-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: Cc(c1)cc(O)c(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
CH$LINK: INCHIKEY NKTOLZVEWDHZMU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6025145

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00di-3900000000-2d64127f5ece7e1ccc6f
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  41 2.77 28
  43 1.97 20
  44 4.81 48
  45 1.19 12
  46 1.22 12
  50 3 30
  51 7.95 80
  52 2.79 28
  53 4.41 44
  55 1.56 16
  59 1.25 13
  60 3.77 38
  61 3 30
  62 1.16 12
  63 2.37 24
  65 4.35 44
  66 1.13 11
  77 16.97 170
  78 5.88 59
  79 9.1 91
  80 1.08 11
  91 9.85 99
  92 1.53 15
  93 2.71 27
  94 1.56 16
  103 5.3 53
  104 6.1 61
  105 3.26 33
  107 68.14 681
  108 5.41 54
  121 40.51 405
  122 99.99 999
  123 8.5 85
//