ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009265
RECORD_TITLE: BUTANAL 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$NAME: BUTANAL DIISOPENTYL ACETAL
CH$NAME: BUTANAL DIISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₃₀O₂
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCC(OCCC(C)C)OCCC(C)C
CH$IUPAC: InChI=1S/C14H30O2/c1-6-7-14(15-10-8-12(2)3)16-11-9-13(4)5/h12-14H,6-11H2,1-5H3
CH$LINK: INCHIKEY KWZAGPSMWWHQMR-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$SPLASH: splash10-00dl-9100000000-c676e8d768c4f12290c3
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 7 70
  29 8.3 83
  31 1.8 18
  39 0.27 3
  41 13.7 137
  42 2.4 24
  43 57.9 579
  44 0.26 3
  55 12.4 124
  56 1.5 15
  57 1.3 13
  69 0.11 1
  70 2 20
  71 99.99 999
  72 5.6 56
  73 0.19 2
  117 1.5 15
  143 20.2 202
  144 1.6 16
  187 6.9 69
//