MassBank Record: JP002831



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

ACCESSION: JP002831
RECORD_TITLE: DELTA-ELEMENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: SASAKI STOYOHASHI UNIV. OF TECH., TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DELTA-ELEMENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C)C(C1)=CC([H])(C(C)=C)C(C)(C=C)C1 CH$IUPAC: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1 CH$LINK: INCHIKEY MXDMETWAEGIFOE-CABCVRRESA-N
AC$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$SPLASH: splash10-00du-6900000000-45f0aaceb4efe9a71730 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 27 8.6 86 39 11 110 41 31.1 311 42 0.1 1 43 21.1 211 51 2.5 25 52 1.5 15 53 1.21 12 54 1 10 55 12.7 127 57 0.8 8 64 0.05 1 65 6.1 61 66 2 20 67 7.6 76 68 0.22 2 69 4 40 77 20.6 206 78 2.3 23 79 1.98 20 80 5.5 55 81 7.3 73 82 0.5 5 89 0.08 1 90 0.8 8 91 22.5 225 92 10.1 101 93 8.58 86 94 15.5 155 95 3.2 32 103 1 10 104 0.06 1 105 16.1 161 106 3 30 107 15 150 108 0.52 5 109 1.5 15 119 7.5 75 120 2.2 22 121 99.99 999 122 11.6 116 123 1.3 13 127 0.8 8 128 0.13 1 129 1.1 11 130 0.8 8 131 0.5 5 133 0.11 1 134 1.5 15 135 2.1 21 136 74 740 137 0.08 1 138 0.5 5 145 1 10 147 1.6 16 148 0.17 2 160 1.3 13 161 30 300 162 5.5 55 175 0.08 1 176 0.5 5 189 3.1 31 190 0.5 5 204 0.61 6 205 1 10 //