MassBank Record: JP009263



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

ACCESSION: JP009263
RECORD_TITLE: HEPTANAL ETHYL ISOPENTYL 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$NAME: HEPTANAL ETHYL ISOPENTYL ACETAL CH$NAME: HEPTANAL ETHYL ISOAMYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H30O2 CH$EXACT_MASS: 230.22458 CH$SMILES: CCCCCCC(OCC)OCCC(C)C CH$IUPAC: InChI=1S/C14H30O2/c1-5-7-8-9-10-14(15-6-2)16-12-11-13(3)4/h13-14H,5-12H2,1-4H3 CH$LINK: INCHIKEY ZBRSUNZCGCABAB-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$SPLASH: splash10-00dl-9200000000-935412047c9dde0768c8 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 27 10.6 106 28 2.2 22 29 21.4 214 31 0.38 4 39 4.8 48 41 22.5 225 42 5.1 51 43 6.82 68 44 6 60 45 2.3 23 47 8.4 84 53 0.12 1 55 29.4 294 56 2.2 22 57 7.9 79 58 0.1 1 59 2 20 69 5.6 56 70 2.7 27 71 99.99 999 72 6.8 68 75 14.1 141 85 3.3 33 97 1.14 11 143 29.9 299 144 2.6 26 145 29.2 292 146 0.21 2 185 4.7 47 //