ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009275
RECORD_TITLE: BENZALDEHYDE DIISOPENTYL 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$NAME: BENZALDEHYDE DIISOPENTYL ACETAL
CH$NAME: BENZALDEHYDE DIISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈O₂
CH$EXACT_MASS: 264.20893
CH$SMILES: CC(C)CCOC(OCCC(C)C)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28O2/c1-14(2)10-12-18-17(19-13-11-15(3)4)16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
CH$LINK: INCHIKEY TVAMBUYNQKUINU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50241143

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$SPLASH: splash10-056r-9800000000-2a55d81be315a5e18138
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  27 9.4 94
  29 14.6 146
  39 5.1 51
  41 2.17 22
  42 3.8 38
  43 77.6 776
  44 2.7 27
  51 0.28 3
  53 1.3 13
  55 12.4 124
  56 1.4 14
  57 0.13 1
  69 1.4 14
  70 2.6 26
  71 67.4 674
  72 0.26 3
  77 13.5 135
  78 2.8 28
  79 15.5 155
  80 0.1 1
  89 1.2 12
  90 1.7 17
  91 4.6 46
  92 0.13 1
  105 18.3 183
  106 5.3 53
  107 91.5 915
  108 0.9 9
  177 99.99 999
  178 14.2 142
//