MassBank Record: JP002837



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

ACCESSION: JP002837
RECORD_TITLE: BETA-GURJUNENE; 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$NAME: BETA-GURJUNENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: C=C(C3)C([H])(C([H])(C3)2)C([H])(C(C)(C)1)C([H])(CCC([H])(C)2)1 CH$IUPAC: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-14H,2,5-8H2,1,3-4H3/t9-,11-,12-,13-,14-/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: splash10-03dl-6900000000-7f3f4782120076372a74 PK$NUM_PEAK: 86 PK$PEAK: m/z int. rel.int. 26 0.5 5 27 6.7 67 29 7.5 75 39 0.98 10 40 1.6 16 41 31.6 316 42 2.2 22 43 0.85 9 50 0.5 5 51 2.8 28 52 1.2 12 53 0.85 9 54 1 10 55 16.2 162 56 1 10 57 0.15 2 63 1 10 64 0.8 8 65 6.3 63 66 0.02 0 67 10 100 68 1 10 69 15.5 155 70 0.11 1 71 0.8 8 75 0.8 8 77 13.5 135 78 0.04 0 79 16.1 161 80 2.5 25 81 11.1 111 82 0.32 3 83 2.5 25 89 0.8 8 91 27.8 278 92 0.43 4 93 22.3 223 94 4 40 95 6 60 96 0.08 1 97 0.5 5 102 0.5 5 103 2.7 27 104 0.18 2 105 30.5 305 106 6.1 61 107 21.1 211 108 0.04 0 109 3.3 33 110 0.5 5 115 4 40 116 0.02 0 117 5.2 52 118 1.8 18 119 24.5 245 120 0.52 5 121 7.2 72 122 4 40 123 1.2 12 127 0.11 1 128 2.1 21 129 2.1 21 130 1.1 11 131 0.35 4 132 1.1 11 133 16.5 165 134 5.5 55 135 0.07 1 136 1.5 15 141 0.5 5 143 0.8 8 144 0.05 1 145 2.7 27 146 1.1 11 147 15.5 155 148 0.56 6 149 1 10 161 99.99 999 162 21.1 211 163 0.02 0 175 3.3 33 176 0.8 8 189 18.7 187 190 0.31 3 204 12.6 126 205 2.5 25 //