ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004023
RECORD_TITLE: ORTHO-METHYLPHENETOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-METHYLPHENETOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.08882
CH$SMILES: CCOc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C9H12O/c1-3-10-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY JWMKUKRBNODZFA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80210327

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0a4i-3900000000-f1189aa25631dcde4f8f
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 7 70
  29 4.2 42
  39 6.2 62
  41 0.15 2
  50 1.9 19
  51 6 60
  52 3.5 35
  53 0.28 3
  63 2 20
  64 1.1 11
  65 5.9 59
  66 0.1 1
  77 14.3 143
  78 5 50
  79 13 130
  80 0.79 8
  89 3.2 32
  90 16.3 163
  91 11.1 111
  92 0.11 1
  107 55.6 556
  108 99.99 999
  109 7.2 72
  121 0.12 1
  136 63.6 636
  137 5.9 59
//