MassBank Record: JP009113



 ACETALDEHYDE 2E-HEXENYL 3Z-HEXENYL ACETAL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009113
RECORD_TITLE: ACETALDEHYDE 2E-HEXENYL 3Z-HEXENYL 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$NAME: ACETALDEHYDE 2E-HEXENYL 3Z-HEXENYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H26O2 CH$EXACT_MASS: 226.19328 CH$SMILES: CCCC([H])=C([H])COC(C)OCCC([H])=C([H])CC CH$IUPAC: InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h6,8-9,11,14H,4-5,7,10,12-13H2,1-3H3/b8-6-,11-9+ CH$LINK: INCHIKEY LNXYMQIPQAMVLK-ZOEDNYEGSA-N
AC$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: splash10-053r-9000000000-75b23ff8c2fc0e1f6aea PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 5.94 59 29 6.62 66 31 1.03 10 39 7.5 75 41 31.35 314 42 2.91 29 43 5.71 57 45 3.49 35 53 3.63 36 54 5.46 55 55 54.38 544 56 4.79 48 57 3.08 31 67 8.31 83 68 1.61 16 69 3.83 38 81 1.85 19 82 8.54 85 83 99.99 999 84 7.03 70 113 1.07 11 127 8.18 82 //