ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009272
RECORD_TITLE: PROPANAL 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$NAME: PROPANAL BENZYL ISOPENTYL ACETAL
CH$NAME: PROPANAL BENZYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄O₂
CH$EXACT_MASS: 236.17763
CH$SMILES: CC(C)CCOC(CC)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H24O2/c1-4-15(16-11-10-13(2)3)17-12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
CH$LINK: INCHIKEY LCIWBVUWLVMMOZ-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$SPLASH: splash10-0006-9000000000-399f49abf108602ec5fb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.1 31
  29 4.1 41
  39 3.6 36
  41 0.58 6
  42 1.1 11
  43 13.2 132
  51 1.2 12
  55 0.16 2
  57 1.4 14
  65 6.1 61
  71 11.9 119
  77 0.17 2
  79 1 10
  89 1.1 11
  90 1.5 15
  91 99.99 999
  92 10.8 108
  148 3.3 33
  149 1.8 18
  207 3.6 36
//