ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009264
RECORD_TITLE: BUTANAL DIBUTYL 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$NAME: BUTANAL DIBUTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₂
CH$EXACT_MASS: 202.19328
CH$SMILES: CCCCOC(CCC)OCCCC
CH$IUPAC: InChI=1S/C12H26O2/c1-4-7-10-13-12(9-6-3)14-11-8-5-2/h12H,4-11H2,1-3H3
CH$LINK: COMPTOX DTXSID60207957
CH$LINK: INCHIKEY WQRBJFZKPWPIJD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:22210

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$SPLASH: splash10-0a6r-9100000000-f9344d26549f52a6bd59
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 12.6 126
  28 2.7 27
  29 32.2 322
  31 0.39 4
  39 5.6 56
  41 35.1 351
  42 2 20
  43 1.14 11
  44 2.1 21
  47 1.6 16
  55 28.2 282
  56 0.59 6
  57 99.99 999
  58 3 30
  71 2.3 23
  72 0.21 2
  73 50.1 501
  74 2.1 21
  89 1.4 14
  103 1.24 12
  129 29.9 299
  130 2.1 21
  159 10.8 108
//