ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009282
RECORD_TITLE: BENZALDEHYDE BENZYL ISOPENTYL 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$NAME: BENZALDEHYDE BENZYL ISOPENTYL ACETAL
CH$NAME: BENZALDEHYDE BENZYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₄O₂
CH$EXACT_MASS: 284.17763
CH$SMILES: CC(C)CCOC(OCc(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H24O2/c1-16(2)13-14-20-19(18-11-7-4-8-12-18)21-15-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3
CH$LINK: INCHIKEY XFGJYOYWFTXAFO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101588413

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$SPLASH: splash10-0006-9200000000-9454d19949afa439e406
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 2.6 26
  28 1.6 16
  29 3.6 36
  39 0.36 4
  41 7.1 71
  42 1.1 11
  43 22 220
  50 0.12 1
  51 3.8 38
  52 1 10
  55 2.5 25
  63 0.13 1
  65 6.2 62
  71 15.8 158
  77 11.9 119
  78 0.2 2
  79 5 50
  89 1.7 17
  90 2.1 21
  91 99.99 999
  92 12.8 128
  105 10.4 104
  106 2 20
  107 2.6 26
  108 3 30
  167 1.1 11
  177 22.6 226
  178 0.56 6
  193 1.4 14
  196 1.8 18
  197 12.7 127
  198 1.8 18
//