MassBank Record: JP002828



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

ACCESSION: JP002828
RECORD_TITLE: BETA-CUBEBENE; 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$NAME: BETA-CUBEBENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C)C([H])(C2)C([H])(C([H])31)C(CCC(=C)3)(C([H])(C)C2)1 CH$IUPAC: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15?/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: splash10-08fr-7900000000-22195359a65fe82f1605 PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 26 0.5 5 27 7 70 29 5.7 57 39 0.81 8 40 0.8 8 41 24.3 243 42 1.3 13 43 0.75 8 51 2.2 22 52 1.1 11 53 6.7 67 54 0.08 1 55 16 160 56 1.5 15 57 3.3 33 58 0.05 1 63 1.1 11 64 0.8 8 65 5.5 55 66 0.01 0 67 9 90 68 0.8 8 69 10 100 70 0.01 0 71 2 20 75 0.6 6 77 13 130 78 0.43 4 79 17.5 175 80 4.1 41 81 18.8 188 82 0.27 3 83 1.1 11 89 0.8 8 90 0.6 6 91 3.03 30 92 6.7 67 93 16.5 165 94 2.1 21 95 0.04 0 96 0.6 6 97 0.8 8 102 0.8 8 103 0.25 3 104 2.5 25 105 34.2 342 106 6.2 62 107 0.95 10 108 2 20 109 1.6 16 110 0.5 5 115 0.35 4 116 1.7 17 117 5.5 55 118 1.7 17 119 0.21 2 120 25.7 257 121 5.3 53 122 0.8 8 123 0.08 1 127 1 10 128 1.7 17 129 1.6 16 130 0.08 1 131 2.5 25 132 1.1 11 133 9.7 97 134 0.21 2 135 0.6 6 141 0.5 5 145 1.5 15 146 0.08 1 147 5 50 148 1.6 16 149 0.8 8 159 0.08 1 160 3.5 35 161 99.99 999 162 10.8 108 163 0.13 1 189 0.6 6 204 13.2 132 205 2.5 25 //