MassBank Record: JP002824



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

ACCESSION: JP002824
RECORD_TITLE: DELTA-CADINENE; 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$NAME: DELTA-CADINENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H24 CH$EXACT_MASS: 204.18780 CH$SMILES: CC(C2)=CC([H])(C(C2)=1)C([H])(C(C)C)CCC(C)1 CH$IUPAC: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,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: splash10-03e9-4910000000-d866d006ef5edc06b50d PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 27 3.8 38 29 3.2 32 39 5 50 40 0.05 1 41 16.6 166 42 1 10 43 3.8 38 51 0.16 2 52 0.6 6 53 4.5 45 55 9 90 56 0.06 1 57 0.5 5 63 0.8 8 64 0.6 6 65 0.38 4 66 0.8 8 67 3.6 36 69 7.5 75 70 0.06 1 77 9 90 78 2.5 25 79 6.8 68 80 0.11 1 81 17.8 178 82 1.2 12 83 0.8 8 89 0.06 1 91 19 190 92 6.1 61 93 10.6 106 94 0.13 1 95 2.7 27 103 2.2 22 104 1.3 13 105 0.35 4 106 6.8 68 107 4.3 43 108 0.5 5 109 0.01 0 115 4.7 47 116 2 20 117 6.2 62 118 0.03 0 119 38.5 385 121 3.1 31 122 0.5 5 127 0.15 2 128 3.5 35 129 3.8 38 130 2 20 131 0.48 5 132 2 20 133 10.6 106 134 54.3 543 135 0.62 6 136 0.5 5 141 1.1 11 142 1 10 143 0.11 1 144 1 10 145 4.8 48 146 2.1 21 147 0.55 6 148 1 10 157 0.8 8 159 3.1 31 160 0.27 3 161 99.99 999 162 19 190 163 1.5 15 175 0.01 0 176 1.1 11 189 17.3 173 190 2.7 27 203 0.08 1 204 51 510 205 8.5 85 206 0.6 6 //