MassBank Record: JP002827



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

ACCESSION: JP002827
RECORD_TITLE: ALPHA-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$NAME: ALPHA-CUBEBENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C)C([H])(C2)C([H])(C([H])31)C(CC([H])=C(C)3)(C([H])(C)C2)1 CH$IUPAC: InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/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: splash10-0bt9-5900000000-4ac14e723c5007dcc4c0 PK$NUM_PEAK: 92 PK$PEAK: m/z int. rel.int. 26 1 10 27 9.5 95 28 1 10 29 0.82 8 31 0.5 5 39 10.1 101 40 1.1 11 41 3.13 31 42 3 30 43 9.1 91 50 0.5 5 51 0.36 4 52 1.7 17 53 8.8 88 54 0.8 8 55 2.07 21 56 5.6 56 57 2.2 22 58 0.5 5 63 0.15 2 64 0.8 8 65 7.2 72 66 1.3 13 67 0.75 8 68 1.1 11 69 14.2 142 70 3.2 32 71 0.08 1 75 0.8 8 76 0.6 6 77 16.7 167 78 0.53 5 79 13.3 133 80 5.5 55 81 30 300 82 0.03 0 83 1.3 13 89 1.3 13 90 1.2 12 91 3.52 35 92 19.7 197 93 30 300 94 4.6 46 95 0.41 4 96 0.5 5 97 0.5 5 101 0.5 5 102 0.08 1 103 4.5 45 104 3.3 33 105 99.99 999 106 1.18 12 107 15.5 155 108 5.6 56 109 2 20 115 0.63 6 116 3 30 117 8.5 85 118 5.2 52 119 0.93 9 120 30 300 121 5.1 51 122 2.3 23 123 0.12 1 127 1.6 16 128 3.5 35 129 3.5 35 130 0.15 2 131 5 50 132 1.6 16 133 9.8 98 134 0.28 3 135 1.1 11 136 1.2 12 141 1 10 142 0.05 1 143 0.8 8 144 0.5 5 145 3 30 146 0.13 1 147 3.7 37 148 1.1 11 149 0.8 8 150 0.05 1 159 1.6 16 160 2 20 161 98.5 985 162 1.42 14 163 1.1 11 189 1.5 15 204 20.8 208 205 3.6 36 //