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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008669

BENZALDEHYDE DIETHYL ACETAL; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008669
RECORD_TITLE: BENZALDEHYDE DIETHYL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZALDEHYDE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O2
CH$EXACT_MASS: 180.11503
CH$SMILES: CCOC(OCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
CH$LINK: INCHIKEY MAQMEXSLUSZDQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061127

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$SPLASH: splash10-0550-6900000000-dfa47991c27d1a7e71c0
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 8.33 83
  29 14.25 143
  39 1.83 18
  43 1.77 18
  47 8.56 86
  50 3.29 33
  51 10.68 107
  52 2.68 27
  63 1.35 14
  75 5.93 59
  76 1.1 11
  77 30.84 308
  78 5.6 56
  79 44.65 447
  80 2.95 30
  89 1.82 18
  90 1.52 15
  91 2.06 21
  103 4.84 48
  105 17.9 179
  106 2.98 30
  107 63 630
  108 4.81 48
  123 1.36 14
  135 99.99 999
  136 10.29 103
//

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