ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000015
RECORD_TITLE: 2,5-DIMETHYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-05i0-5900000000-0b63ea14970dee15cedb
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  51 14.5 145
  52 5.42 54
  53 9.5 95
  55 3.07 31
  59 2.13 21
  60 4.85 49
  61 2.95 30
  62 2.76 28
  63 4.05 41
  64 2.68 27
  65 6.8 68
  66 2.25 23
  76 6.74 67
  77 34.37 344
  78 14.29 143
  79 21.66 217
  80 2.04 20
  90 4.62 46
  91 19.75 198
  92 3.48 35
  93 6.39 64
  94 4.21 42
  102 2.24 22
  103 7.47 75
  104 6.31 63
  105 3.24 32
  106 17.69 177
  107 99.99 999
  108 7.95 80
  120 4.36 44
  121 45.58 456
  122 92.34 923
  123 8 80
//