MassBank Record: JP008647



 VALERALDEHYDE DIBUTYL ACETAL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP008647
RECORD_TITLE: VALERALDEHYDE DIBUTYL ACETAL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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
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 //