MassBank Record: JP004902

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BENZALDEHYDE DIMETHYL ACETAL; EI-B; MS

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

ACCESSION: JP004902
RECORD_TITLE: BENZALDEHYDE DIMETHYL ACETAL; 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$NAME: BENZALDEHYDE DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O2
CH$EXACT_MASS: 152.08373000000000274667399935424327850341796875
CH$SMILES: COC(OC)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
CH$LINK: COMPTOX DTXSID5061538
CH$LINK: INCHIKEY HEVMDQBCAHEHDY-UHFFFAOYSA-N

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$SPLASH: splash10-05i0-6900000000-55139b3f0df693da0a3f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43 3.62 36
  44 3.23 32
  47 3.23 32
  50 10.48 105
  51 23.66 237
  52 4.11 41
  75 12.05 121
  76 3.38 34
  77 67.66 677
  78 8.77 88
  91 15.87 159
  105 58.94 589
  106 22.78 228
  121 99.99 999
  122 8.91 89
  136 12.78 128
  152 3.52 35
//