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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003416

BENZALDEHYDE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003416
RECORD_TITLE: BENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
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$LINK: COMPTOX DTXSID8039241
CH$LINK: INCHIKEY HUMNYLRZRPPJDN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:240

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6r-9600000000-731755b6449c9d44f340
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  50 13.2 132
  51 31.8 318
  52 6.8 68
  74 5.3 53
  76 4 40
  77 84.6 846
  78 14.5 145
  105 9.89 99
  106 99.99 999
  107 11.1 111
//

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