ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008583
RECORD_TITLE: CREOSOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CREOSOL
CH$NAME: 2-METHOXY-4-METHYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₂
CH$EXACT_MASS: 138.06808
CH$SMILES: COc(c1)c(O)ccc(C)1
CH$IUPAC: InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
CH$LINK: INCHIKEY PETRWTHZSKVLRE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047105

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0079-8900000000-c42e8911b7e5bb460b86
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 4.03 40
  26 1.07 11
  27 4.49 45
  28 2.28 23
  29 2.11 21
  32 1.46 15
  38 2.67 27
  39 16 160
  40 3.04 30
  41 10.18 102
  43 2.21 22
  50 4.53 45
  51 12.44 124
  52 3.8 38
  53 5.29 53
  55 18.23 182
  62 1.69 17
  63 3.28 33
  65 9.22 92
  66 8.95 90
  67 16.72 167
  68 1.42 14
  69 1.26 13
  77 16.34 163
  78 4.66 47
  79 2.55 26
  91 1.59 16
  94 5.02 50
  95 34.86 349
  96 2.25 23
  106 2.03 20
  107 3.12 31
  109 1.62 16
  122 1.97 20
  123 86.06 861
  124 6.26 63
  137 5.17 52
  138 99.99 999
  139 10.22 102
//