ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007365
RECORD_TITLE: 1,4-DIMETHOXYBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1,4-DIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₂
CH$EXACT_MASS: 138.06808
CH$SMILES: COc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3
CH$LINK: CAS 150-78-7
CH$LINK: INCHIKEY OHBQPCCCRFSCAX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0022014

AC$INSTRUMENT: ESCO EMD-05A
AC$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$SPLASH: splash10-0079-5900000000-acbf1612453243f711e3
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  39 8.13 81
  41 8.54 85
  50 6.15 62
  51 4.24 42
  52 3.96 40
  53 3.55 36
  54 5.6 56
  55 2.67 27
  62 2.8 28
  63 4.51 45
  64 6.49 65
  65 3.55 36
  66 2.46 25
  67 1.98 20
  69 2.67 27
  77 1.44 14
  79 1.44 14
  80 3.35 34
  92 4.51 45
  94 2.32 23
  95 46.14 461
  96 3.28 33
  106 1.5 15
  108 4.1 41
  122 1.64 16
  123 99.99 999
  124 7.38 74
  137 2.6 26
  138 94.81 948
  139 12.99 130
//