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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006271

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-JP006271
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$NAME: 1,4-DIMETHOXYBENZENE
CH$NAME: HYDROXYQUINONE DIMETHYL ETHER
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00dr-9800000000-f7ee9b9c0cbc026ac7d9
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 14.17 142
  26 4.62 46
  27 1.6 16
  29 3.71 37
  30 1.08 11
  39 8.04 80
  41 15.26 153
  49 0.66 7
  50 5.2 52
  51 7.9 79
  52 10.91 109
  53 6.81 68
  54 6.85 69
  55 0.87 9
  61 1.94 19
  62 5.46 55
  63 14.28 143
  64 12.27 123
  65 7.48 75
  66 2.36 24
  67 1.84 18
  69 1.63 16
  74 2.28 23
  75 1.58 16
  76 1.14 11
  77 5.7 57
  78 0.9 9
  79 4.35 44
  80 7.01 70
  81 0.74 7
  82 1.89 19
  92 7.8 78
  93 0.87 9
  94 0.91 9
  95 41.25 413
  96 2.71 27
  107 1.92 19
  108 2.33 23
  109 1.05 11
  122 0.62 6
  123 99.99 999
  124 7.73 77
  125 0.67 7
  138 71.79 718
  139 6.4 64
//

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