ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003547
RECORD_TITLE: BENZALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: INCHIKEY HUMNYLRZRPPJDN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8039241

AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0a6r-7900000000-7d98ce9e964eb9bae123
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  39 3.1 31
  50 2.2 22
  51 22.5 225
  63 1.3 13
  76 2.9 29
  77 55.1 551
  78 14.1 141
  105 9.3 93
  106 99.99 999
  107 10.3 103
//