MassBank Record: JP002851



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

ACCESSION: JP002851
RECORD_TITLE: EPSILON-MUUROLENE; 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$NAME: EPSILON-MUUROLENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: C=C(C2)CC([H])(C([H])(C(C)C)1)C([H])(C2)C(=C)CC1 CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h10,13-15H,3-9H2,1-2H3/t13-,14+,15-/m0/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: splash10-0006-9500000000-4c561af72076f5fd5a12 PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 15 0.8 8 17 1.3 13 18 6.2 62 26 0.13 1 27 26.2 262 28 4.7 47 29 20.7 207 31 0.13 1 39 29.6 296 40 6.8 68 41 90 900 42 0.46 5 43 34 340 44 1.2 12 50 1 10 51 0.61 6 52 3.8 38 53 25.1 251 54 3.6 36 55 4.05 41 56 3 30 57 8 80 59 1 10 63 0.02 0 64 1.1 11 65 15.3 153 66 5.2 52 67 5.25 53 68 4.5 45 69 35 350 70 2.3 23 71 0.26 3 75 1.5 15 77 43.8 438 78 11.7 117 79 6.91 69 80 26.3 263 81 99.99 999 82 11.3 113 83 0.55 6 89 1.3 13 90 0.8 8 91 81 810 92 0.23 2 93 76.8 768 94 16.3 163 95 22 220 96 0.21 2 97 1.2 12 102 0.8 8 103 4.3 43 104 0.05 1 105 72.2 722 106 18.5 185 107 29.6 296 108 0.53 5 109 6.5 65 110 1 10 115 4.6 46 116 0.02 0 117 8 80 118 2.8 28 119 48.2 482 120 0.22 2 121 12 120 122 4.5 45 123 10.7 107 124 0.16 2 127 1.1 11 128 1.8 18 129 1.7 17 130 0.08 1 131 4.3 43 132 2.1 21 133 32.8 328 134 0.85 9 135 32.8 328 136 11 110 137 27.3 273 138 0.26 3 145 2.5 25 146 0.8 8 147 8.8 88 148 2.51 25 149 6.1 61 150 2 20 159 1.2 12 160 0.56 6 161 14 140 162 34 340 163 2.6 26 175 0.31 3 176 4.7 47 189 7.5 75 190 1 10 204 4.61 46 205 7 70 //