MassBank Record: JP008765



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

ACCESSION: JP008765
RECORD_TITLE: HEPTANAL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , UOEH
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$LINK: CAS 111-71-7 CH$LINK: INCHIKEY FXHGMKSSBGDXIY-UHFFFAOYSA-N
AC$INSTRUMENT: HP 5970 AC$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$SPLASH: splash10-0006-9000000000-a85809c1e2c6b7471781 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 37 1.4 14 38 4.51 45 39 51.08 511 40 9.34 93 41 99.99 999 42 55.55 556 43 87.81 878 44 90.95 910 45 18.93 189 46 0.59 6 50 2.09 21 51 3.22 32 52 1.38 14 53 6.93 69 54 8.33 83 55 57.23 572 56 7.81 78 57 50.52 505 58 5.24 52 63 0.59 6 65 1.12 11 66 1.33 13 67 9.07 91 68 14.87 149 70 71.86 719 71 21.74 217 72 9.07 91 73 0.71 7 76 0.91 9 77 0.49 5 79 0.81 8 81 19.88 199 82 1.61 16 83 0.73 7 85 3.44 34 86 12.6 126 87 0.75 8 95 1.42 14 96 9.19 92 114 0.76 8 //