MassBank Record: JP001482



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

ACCESSION: JP001482
RECORD_TITLE: HEPTYLALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYLALDEHYDE CH$NAME: HEPTANAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CCCCCCC=O CH$IUPAC: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
AC$INSTRUMENT: HITACHI RMU-6M 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: splash10-0006-9000000000-183283cb2427145b7678 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 15 4.49 45 26 3.98 40 27 54.59 546 28 13.19 132 29 57.34 573 30 2.09 21 31 2.97 30 38 1.97 20 39 32.4 324 40 5.11 51 41 84.57 846 42 56.03 560 43 88.21 882 44 99.99 999 45 23.79 238 50 1.41 14 51 2.33 23 53 5.65 57 54 7.45 75 55 56.94 569 56 7.93 79 57 43.41 434 58 6.75 68 65 1.08 11 66 1.17 12 67 8.37 84 68 15.91 159 69 5.56 56 70 85.22 852 71 19.28 193 72 9.53 95 81 17.78 178 82 1.71 17 83 1.38 14 85 3.41 34 86 14.32 143 87 1.08 11 95 2.04 20 96 14.08 141 97 1.88 19 114 2.13 21 //