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MassBank Record: JP008647

VALERALDEHYDE DIBUTYL ACETAL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP008647
RECORD_TITLE: VALERALDEHYDE 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$NAME: VALERALDEHYDE DIBUTYL ACETAL
CH$NAME: PENTANAL DIBUTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O2
CH$EXACT_MASS: 216.20893
CH$SMILES: CCCCOC(CCCC)OCCCC
CH$IUPAC: InChI=1S/C13H28O2/c1-4-7-10-13(14-11-8-5-2)15-12-9-6-3/h13H,4-12H2,1-3H3
CH$LINK: INCHIKEY LDJYPEMHNQONGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50156905

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$SPLASH: splash10-0a4l-9200000000-ff04dd88736c97af0a14
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 8.26 83
  29 28.07 281
  31 2.76 28
  39 3.68 37
  41 30.69 307
  42 2.33 23
  43 5.55 56
  44 2.15 22
  45 2.04 20
  47 1.34 13
  55 4.16 42
  56 5.9 59
  57 99.99 999
  58 5.07 51
  69 29.43 294
  70 1.58 16
  85 1.48 15
  87 34.6 346
  88 1.8 18
  103 18.09 181
  143 31.36 314
  144 2.74 27
  159 15.8 158
  160 1.42 14
//

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