MassBank Record: JP008460



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

ACCESSION: JP008460
RECORD_TITLE: VALERALDEHYDE DIHEXYL 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$NAME: VALERALDEHYDE DIHEXYL ACETAL CH$NAME: PENTANAL DIHEXYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H36O2 CH$EXACT_MASS: 272.27153 CH$SMILES: CCCCCCOC(CCCC)OCCCCCC CH$IUPAC: InChI=1S/C17H36O2/c1-4-7-10-12-15-18-17(14-9-6-3)19-16-13-11-8-5-2/h17H,4-16H2,1-3H3 CH$LINK: INCHIKEY JQWXFZZZKPDRKK-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$SPLASH: splash10-052o-9000000000-1fe8af2abd8ec0c24c17 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 26 1.18 12 27 17.47 175 29 23.17 232 31 8.97 90 39 11.51 115 41 43.82 438 42 16.84 168 43 99.99 999 44 8.57 86 45 2.21 22 53 2.3 23 54 1.41 14 55 25.59 256 56 31.21 312 57 73.09 731 58 4.64 46 67 1.83 18 68 4.05 41 69 20.43 204 70 1.64 16 71 3.73 37 83 1.42 14 84 3.72 37 85 55.58 556 86 22.87 229 87 19.53 195 88 1.1 11 113 1.97 20 131 4.29 43 141 2.53 25 170 10.45 105 171 19.75 198 172 2.07 21 215 6.62 66 //