MassBank Record: JP000123



 3,7-DIMETHYL-2,6-OCTADIENAL(CIS); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000123
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIENAL(CIS); 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$NAME: 3,7-DIMETHYL-2,6-OCTADIENAL(CIS) CH$NAME: NERAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16O CH$EXACT_MASS: 152.12012 CH$SMILES: O=CC=C(C)CCC=C(C)C CH$IUPAC: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
AC$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: splash10-00kf-9000000000-817e52a6a23988fc5b7b PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 27 21.9 219 28 13 130 29 12.2 122 38 1.3 13 39 31.4 314 40 4.9 49 41 99.99 999 42 4.7 47 43 12.1 121 44 3.6 36 50 1.3 13 51 4.4 44 52 1.7 17 53 13.3 133 54 3.5 35 55 10.1 101 56 4.6 46 57 1.3 13 59 11.2 112 65 3.1 31 66 1 10 67 13.3 133 68 4 40 69 83.9 839 70 5.9 59 71 2 20 77 4.2 42 79 5.5 55 80 3.9 39 81 12 120 82 11.6 116 83 11.5 115 84 25.4 254 85 1.4 14 91 4.8 48 92 1.4 14 93 3.3 33 94 18.1 181 95 10.3 103 96 3.3 33 97 2.7 27 109 6.2 62 110 1.2 12 119 1.6 16 123 4.2 42 137 3.8 38 152 6.4 64 //