MassBank Record: JP008663

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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: JP008663
RECORD_TITLE: BENZALDEHYDE DIMETHYL 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$NAME: BENZALDEHYDE DIMETHYL ACETAL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00di-7900000000-8b224c0b098080453d7d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 2.86 29
  29 3.84 38
  31 1.27 13
  39 2.71 27
  47 2.73 27
  50 3.81 38
  51 10.25 103
  52 2.45 25
  59 2.64 26
  63 1.9 19
  65 1.45 15
  74 1.22 12
  75 11.16 112
  76 1.09 11
  77 31.13 311
  78 4.95 50
  89 2.02 20
  91 13.9 139
  92 1.13 11
  105 12.14 121
  106 1.28 13
  121 99.99 999
  122 9.31 93
  152 1.46 15
//