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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004830

1,4-DIMETHOXYBENZENE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004830
RECORD_TITLE: 1,4-DIMETHOXYBENZENE; 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$NAME: 1,4-DIMETHOXYBENZENE
CH$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$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00dr-3900000000-83320534feed23b07657
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  50 2.78 28
  51 3.86 39
  52 5.23 52
  53 3.41 34
  54 3.46 35
  62 1.84 18
  63 5.93 59
  64 6.59 66
  65 3.95 40
  67 1.39 14
  69 1.57 16
  73 2.21 22
  74 1 10
  77 4.48 45
  79 1.88 19
  80 4.27 43
  82 1.02 10
  92 4.09 41
  95 21.31 213
  96 1.46 15
  107 1.83 18
  108 1.97 20
  123 99.99 999
  124 8.08 81
  138 87.8 878
  139 8.02 80
//

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