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MassBank Record: JP006584

O-DIETHOXYBENZENE; EI-B; MS

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

ACCESSION: JP006584
RECORD_TITLE: O-DIETHOXYBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: O-DIETHOXYBENZENE
CH$NAME: 1,2-DIETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O2
CH$EXACT_MASS: 166.09938
CH$SMILES: CCOc(c1)c(OCC)ccc1
CH$IUPAC: InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3
CH$LINK: INCHIKEY QZYDOKBVZJLQCK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6038798

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$SPLASH: splash10-03di-4900000000-5e654f9a6e2183b4c6d9
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 1.89 19
  27 11.94 119
  29 9.08 91
  39 3.06 31
  43 1.86 19
  45 1.16 12
  50 1.89 19
  51 4.21 42
  52 6.31 63
  53 5.27 53
  55 1.33 13
  63 3.37 34
  64 4.06 41
  65 5.68 57
  77 1.74 17
  79 1.1 11
  80 1.5 15
  81 20.27 203
  82 2.21 22
  91 1.25 13
  92 2.25 23
  93 1.7 17
  95 1.15 12
  109 26.07 261
  110 99.99 999
  111 5.95 60
  121 2.7 27
  137 1.02 10
  138 8.21 82
  166 39.23 392
  167 3.62 36
//

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