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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004667

BENZALDEHYDE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004667
RECORD_TITLE: BENZALDEHYDE; 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$NAME: BENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6O
CH$EXACT_MASS: 106.04186
CH$SMILES: O=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
CH$LINK: CAS 100-52-7
CH$LINK: INCHIKEY HUMNYLRZRPPJDN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8039241

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$SPLASH: splash10-0a6r-9700000000-af6ef18ad5441da71000
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  49 4.1 41
  50 19.79 198
  51 41.07 411
  52 18.47 185
  53 2.84 28
  56 1.01 10
  61 2.01 20
  62 2.56 26
  63 3.83 38
  73 2.97 30
  74 11.83 118
  75 6.16 62
  76 7.21 72
  77 99.99 999
  78 13.27 133
  79 1.52 15
  105 87.14 871
  106 94.64 946
  107 13.67 137
//

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