ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009266
RECORD_TITLE: BUTANAL BUTYL ISOAMYL 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$NAME: BUTANAL BUTYL ISOAMYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O₂
CH$EXACT_MASS: 216.20893
CH$SMILES: CCCCOC(CCC)OCCC(C)C
CH$IUPAC: InChI=1S/C13H28O2/c1-5-7-10-14-13(8-6-2)15-11-9-12(3)4/h12-13H,5-11H2,1-4H3
CH$LINK: INCHIKEY BSNWVXDNGIOQGW-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$SPLASH: splash10-00di-9100000000-9cdc77b32764f8449160
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 12.6 126
  28 2.7 27
  29 23 230
  31 0.36 4
  39 5.9 59
  41 29.6 296
  42 3.1 31
  43 6.32 63
  44 3.2 32
  45 1.3 13
  53 1.3 13
  55 2.57 26
  56 4.8 48
  57 33.6 336
  69 1.1 11
  70 0.17 2
  71 99.99 999
  72 6.2 62
  73 32.9 329
  74 0.17 2
  103 2.8 28
  117 1.4 14
  129 21.4 214
  130 0.15 2
  143 12.7 127
  144 1 10
  173 11.2 112
//