ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000014
RECORD_TITLE: 3,4-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$NAME: 3,4-DIMETHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: Oc(c1)cc(C)c(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
CH$LINK: COMPTOX DTXSID4024062
CH$LINK: INCHIKEY YCOXTKKNXUZSKD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7249
AC$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: splash10-0ab9-4900000000-fb3dd3acd7e4d6949270
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  51 10.42 104
  52 4.13 41
  53 7.66 77
  55 3.4 34
  59 2.34 23
  60 3.99 40
  61 2.28 23
  62 2.14 21
  63 3.16 32
  65 5.3 53
  76 4.9 49
  77 24.8 248
  78 6.4 64
  79 10.19 102
  90 3.23 32
  91 13.4 134
  92 2.08 21
  93 3.17 32
  103 2.8 28
  106 17.01 170
  107 99.99 999
  108 7.81 78
  120 7.82 78
  121 45.51 455
  122 64.9 649
  123 5.92 59
//
