ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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: 152.08373
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$LINK: INCHIKEY HEVMDQBCAHEHDY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5061538

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
//