MassBank Record: JP002513



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

ACCESSION: JP002513
RECORD_TITLE: ISOBISABOLENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ISOBISABOLENE CH$NAME: 6-METHYL-2-(4-METHYLENECYCLOHEXYL)-1,5-HEPTADIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C)=CCCC(=C)C(C1)CCC(=C)C1 CH$IUPAC: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,15H,3-5,7-11H2,1-2H3
AC$INSTRUMENT: JEOL JMS-D-3000 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: splash10-014l-9200000000-3bc1c00936795e4c77e5 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 41 58.85 589 43 3.81 38 53 6.44 64 55 9.75 98 67 21.43 214 68 4.51 45 69 99.99 999 70 5.86 59 77 6.13 61 79 14.79 148 80 3.94 39 81 10.26 103 82 5.67 57 91 9.23 92 92 4.79 48 93 25.66 257 94 7.89 79 95 6.39 64 105 5.96 60 107 7.46 75 108 3.1 31 109 26.64 266 119 4.4 44 120 3.72 37 121 3.81 38 133 4.23 42 134 3.25 33 135 5.03 50 161 19.65 197 204 12.26 123 //