ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010490
RECORD_TITLE: 2,5-DIMETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-05fr-7900000000-836015716b2996224a2b
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 1.88 19
  26 1.8 18
  27 9.93 99
  29 2 20
  37 1.13 11
  38 3.49 35
  39 16.88 169
  40 2.43 24
  41 5.25 53
  43 3.09 31
  50 6.75 68
  51 13.54 135
  52 5.41 54
  53 9.75 98
  54 1.02 10
  55 2.74 27
  60 1.72 17
  61 2.1 21
  62 2.34 23
  63 5.91 59
  64 1.41 14
  65 8.05 81
  66 2.57 26
  67 2.01 20
  74 1.72 17
  75 1.5 15
  76 1.13 11
  77 27.71 277
  78 9.71 97
  79 16.42 164
  80 1.48 15
  89 1.44 14
  91 17.97 180
  92 2.69 27
  93 4.05 41
  94 3.54 35
  102 1.1 11
  103 5.62 56
  104 6.49 65
  105 3.84 38
  107 78.67 787
  108 6.34 63
  121 35.48 355
  122 99.99 999
  123 9.39 94
//