MassBank Record: JP008680



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

ACCESSION: JP008680
RECORD_TITLE: HEPTANAL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CCCCCCC=O CH$IUPAC: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 CH$LINK: INCHIKEY FXHGMKSSBGDXIY-UHFFFAOYSA-N
AC$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: splash10-0006-9000000000-aedf02ade0aa5bd82d71 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 15 4.06 41 26 4.64 46 27 61.85 619 28 6.16 62 29 61.41 614 30 1.74 17 31 2.18 22 38 2.07 21 39 38.34 383 40 4.26 43 41 89.16 892 42 53.62 536 43 79.7 797 44 99.99 999 45 21.66 217 50 1.3 13 51 2.49 25 52 1.09 11 53 5.14 51 54 5.91 59 55 53.57 536 56 6.01 60 57 46.36 464 58 4.38 44 67 6.73 67 68 15.54 155 69 4.11 41 70 78.96 790 71 22.56 226 72 6.78 68 81 16.64 166 82 1.14 11 85 2.94 29 86 13.28 133 95 1.3 13 96 8.84 88 114 1.1 11 //