ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009291
RECORD_TITLE: ACETALDEHYDE BUTYL ISOPROPYL 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$NAME: ACETALDEHYDE BUTYL ISOPROPYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀O₂
CH$EXACT_MASS: 160.14633
CH$SMILES: CCCCOC(C)OC(C)C
CH$IUPAC: InChI=1S/C9H20O2/c1-5-6-7-10-9(4)11-8(2)3/h8-9H,5-7H2,1-4H3
CH$LINK: INCHIKEY MDDRKDNGWLHURG-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$SPLASH: splash10-0002-9100000000-d0824f08143fcf25283e
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 1.5 15
  27 11.3 113
  28 3.1 31
  29 1.41 14
  31 2.6 26
  39 4.5 45
  41 22.5 225
  42 0.3 3
  43 29.3 293
  44 2.5 25
  45 99.99 999
  46 0.22 2
  55 3 30
  56 2.7 27
  57 53.3 533
  58 0.28 3
  61 2.9 29
  69 2.2 22
  73 1.1 11
  87 5.33 53
  88 2.9 29
  101 18.3 183
  102 1.4 14
  103 0.75 8
  145 11.5 115
//