MassBank Record: JP002821



 ALPHA-BERGAM0TENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002821
RECORD_TITLE: ALPHA-BERGAM0TENE; 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$NAME: ALPHA-BERGAM0TENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C)=CCCC(C)(C21)C(C(C)=CC2)C1 CH$IUPAC: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
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-9400000000-cd44c66388e104386c96 PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 26 0.8 8 27 7.5 75 29 8.5 85 31 0.1 1 39 10.5 105 41 50.5 505 42 2.7 27 43 1.25 13 44 0.6 6 45 1.6 16 51 2.6 26 52 0.12 1 53 9.3 93 54 1 10 55 28.5 285 56 1.15 12 57 4.8 48 59 0.8 8 65 4.7 47 66 0.15 2 67 7.7 77 68 2 20 69 46 460 70 0.58 6 71 0.8 8 73 0.5 5 74 0.5 5 75 0.06 1 77 18.2 182 78 4 40 79 22.7 227 80 0.71 7 81 8.7 87 82 3.6 36 83 2.5 25 84 0.13 1 89 1 10 91 22.5 225 92 13 130 93 99.99 999 94 13.7 137 95 5.8 58 96 0.8 8 97 0.15 2 103 1.1 11 104 0.6 6 105 16.7 167 106 0.38 4 107 25.3 253 108 3.7 37 109 7.7 77 110 0.01 0 111 1 10 112 0.6 6 115 1 10 118 0.11 1 119 86.1 861 120 13.5 135 121 9.7 97 122 0.31 3 123 2.7 27 124 0.5 5 133 5.1 51 134 0.27 3 135 7.1 71 136 2.6 26 147 2.6 26 148 0.02 0 149 1.2 12 161 5.7 57 162 1 10 163 0.05 1 189 2.5 25 204 4.3 43 205 0.6 6 //