MassBank Record: JP002822



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

ACCESSION: JP002822
RECORD_TITLE: BETA-BISABOLENE; 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$NAME: BETA-BISABOLENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C)=CCCC(=C)C([H])(C1)CC([H])=C(C)C1 CH$IUPAC: InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9200000000-54f68555ef8db69e1af7 PK$NUM_PEAK: 76 PK$PEAK: m/z int. rel.int. 26 0.5 5 27 7.3 73 28 1.3 13 29 0.65 7 39 11 110 40 2.3 23 41 68.5 685 42 0.31 3 43 6.6 66 51 2.3 23 52 1.5 15 53 1.16 12 54 1.5 15 55 15 150 56 2 20 57 0.16 2 63 0.8 8 65 4.6 46 66 2.1 21 67 2.55 26 69 99.99 999 70 5.8 58 77 11.7 117 78 0.35 4 79 23.7 237 80 7.5 75 81 10.3 103 82 0.51 5 83 1.5 15 84 0.6 6 91 16.1 161 92 0.11 1 93 69 690 94 26.5 265 95 11 110 96 0.11 1 97 1 10 103 1 10 104 0.5 5 105 1.23 12 106 5.5 55 107 17.5 175 108 6.5 65 109 2.37 24 110 2.1 21 111 0.5 5 115 1.1 11 117 0.13 1 118 0.6 6 119 16.8 168 120 6.5 65 121 0.14 1 122 4.1 41 123 1.1 11 128 0.5 5 131 0.08 1 132 0.8 8 134 8.2 82 135 10.3 103 136 0.03 0 147 4 40 148 2 20 149 0.6 6 157 0.01 0 159 0.5 5 160 0.6 6 161 17.2 172 162 0.26 3 163 0.8 8 175 1 10 176 0.8 8 189 0.42 4 190 0.6 6 202 0.6 6 204 24.5 245 205 4.2 42 //