MassBank Record: JP002852



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

ACCESSION: JP002852
RECORD_TITLE: BETA-CARYOPHYLLENE; 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$NAME: BETA-CARYOPHYLLENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: [H]C(C2)=C(C)CCC([H])(C(C)(C)1)C([H])(C(=C)C2)C1 CH$IUPAC: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6-/t13-,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: splash10-05mo-9600000000-f80b8edf5de465dffc71 PK$NUM_PEAK: 105 PK$PEAK: m/z int. rel.int. 18 0.6 6 26 0.6 6 27 18 180 29 1.75 18 38 1 10 39 29.7 297 40 7.7 77 41 8.85 89 42 4.5 45 43 14 140 44 0.5 5 50 0.16 2 51 6.5 65 52 5.5 55 53 28.1 281 54 0.45 5 55 38.5 385 56 5.5 55 57 5.6 56 58 0.05 1 63 2.2 22 64 1 10 65 14.1 141 66 0.57 6 67 33 330 68 10.5 105 69 84.8 848 70 0.55 6 71 4 40 75 1.2 12 76 0.8 8 77 3.25 33 78 11 110 79 59.7 597 80 20.2 202 81 0.4 4 82 14 140 83 5.1 51 84 0.5 5 85 0.02 0 89 1.5 15 90 1 10 91 62 620 92 2.53 25 93 99.99 999 94 24.5 245 95 24.3 243 96 0.03 0 97 1.5 15 98 0.1 1 102 0.8 8 103 0.04 0 104 2.1 21 105 47.3 473 106 29 290 107 4.35 44 108 12.1 121 109 21.3 213 110 3.2 32 111 0.35 4 112 0.6 6 115 3.5 35 116 1.5 15 117 0.48 5 118 1.7 17 119 34.8 348 120 41.5 415 121 0.33 3 122 10.1 101 123 7 70 124 1 10 128 0.16 2 129 1.2 12 130 1.5 15 131 3.3 33 132 0.01 0 133 63.5 635 134 24.1 241 135 18.3 183 136 0.87 9 137 2.8 28 138 0.2 2 145 1.2 12 146 0.08 1 147 30.2 302 148 29 290 149 10 100 150 0.11 1 159 0.5 5 160 1 10 161 34.5 345 162 0.1 1 163 3.5 35 164 0.4 4 170 0.1 1 173 0.05 1 175 10.7 107 176 4.7 47 177 1 10 189 1.96 20 190 3.2 32 191 0.4 4 204 21 210 205 0.35 4 206 0.5 5 //