ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009277
RECORD_TITLE: BENZALDEHYDE DIBUTYL 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$NAME: BENZALDEHYDE DIBUTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₂
CH$EXACT_MASS: 236.17763
CH$SMILES: CCCCOC(OCCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H24O2/c1-3-5-12-16-15(17-13-6-4-2)14-10-8-7-9-11-14/h7-11,15H,3-6,12-13H2,1-2H3
CH$LINK: INCHIKEY WSVMGQQPLZDDQN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30276958

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$SPLASH: splash10-0bt9-4900000000-2a8a45374211534418f4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  18 2.7 27
  27 7.9 79
  28 1.4 14
  29 2.56 26
  39 4.5 45
  41 22.2 222
  42 1.3 13
  43 0.28 3
  51 4.5 45
  52 1 10
  55 2.1 21
  56 0.18 2
  57 21.1 211
  77 14.8 148
  78 3.3 33
  79 2.32 23
  80 1.2 12
  89 1.1 11
  90 1.6 16
  91 0.22 2
  103 1 10
  105 12.8 128
  106 2.2 22
  107 99.99 999
  108 8 80
  123 1 10
  163 67.5 675
  164 8.5 85
//