MassBank Record: JP001212



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

ACCESSION: JP001212
RECORD_TITLE: 3,7-DIMETHYL-2,6-OCTADIENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3,7-DIMETHYL-2,6-OCTADIENYL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H20O2 CH$EXACT_MASS: 196.14633 CH$SMILES: CC(C)=CCCC(C)=CCOC(C)=O CH$IUPAC: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
AC$INSTRUMENT: HITACHI RMU-6D AC$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$SPLASH: splash10-014r-9000000000-b468aa66dfd65ee6f636 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 13 3.5 35 15 2 20 16 9 90 27 0.8 8 28 6 60 29 4 40 35 9 90 36 0.2 2 37 56.5 565 38 3 30 39 60 600 40 0.1 1 51 1.5 15 52 0.5 5 53 8 80 54 0.05 1 55 4 40 56 1 10 57 1 10 62 0.2 2 63 1 10 64 12.5 125 65 43 430 66 99.99 999 67 5 50 68 1 10 76 2 20 78 0.25 3 79 10 100 80 4 40 81 1 10 82 0.05 1 83 2 20 84 6 60 85 1 10 91 0.15 2 92 4 40 93 11.5 115 94 4 40 95 0.1 1 105 1 10 107 4 40 108 1 10 109 0.1 1 119 10.5 105 120 1 10 121 2.5 25 125 0.1 1 133 15 150 134 2 20 155 1.5 15 //