ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009256
RECORD_TITLE: ISOVALERALDEHYDE BENZYL 3-METHYLBUTYL 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$NAME: ISOVALERALDEHYDE BENZYL 3-METHYLBUTYL ACETAL
CH$NAME: ISOPENTANAL ISOAMYL BENZYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈O₂
CH$EXACT_MASS: 264.20893
CH$SMILES: CC(C)CCOC(CC(C)C)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C17H28O2/c1-14(2)10-11-18-17(12-15(3)4)19-13-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3
CH$LINK: INCHIKEY GLRXEEABVKURPO-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$SPLASH: splash10-0006-9000000000-285c836e8513204494b4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 2.1 21
  29 4.1 41
  39 2.2 22
  41 0.73 7
  42 1.1 11
  43 13.4 134
  55 1.7 17
  57 0.13 1
  65 4.8 48
  69 1.4 14
  71 11.9 119
  77 0.14 1
  79 1.1 11
  90 1.3 13
  91 99.99 999
  92 1.04 10
  133 1 10
  176 1 10
  177 1.3 13
  207 4.4 44
//