MassBank Record: JP009267



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

ACCESSION: JP009267
RECORD_TITLE: HEPTANAL DIISOPENTYL 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$NAME: HEPTANAL DIISOPENTYL ACETAL CH$NAME: HEPTANAL DIISOAMYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H36O2 CH$EXACT_MASS: 272.27153 CH$SMILES: CCCCCCC(OCCC(C)C)OCCC(C)C CH$IUPAC: InChI=1S/C17H36O2/c1-6-7-8-9-10-17(18-13-11-15(2)3)19-14-12-16(4)5/h15-17H,6-14H2,1-5H3 CH$LINK: INCHIKEY FCNZGZQLIKHVGP-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$SPLASH: splash10-00dl-9000000000-406855ea92733611c414 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 27 4.8 48 29 8.9 89 31 1 10 39 0.26 3 41 13.2 132 42 3.8 38 43 56.2 562 44 0.24 2 55 11.7 117 56 1.4 14 57 2.6 26 69 0.26 3 70 4.2 42 71 99.99 999 72 5.3 53 97 0.16 2 117 2.3 23 185 14.2 142 186 1.6 16 187 1.28 13 188 1.2 12 //