MassBank Record: JP001559



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

ACCESSION: JP001559
RECORD_TITLE: 1.5.9-CYCLODODECATRIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 1.5.9-CYCLODODECATRIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H18 CH$EXACT_MASS: 162.14085 CH$SMILES: C(C1)C=CCCC=CCCC=C1 CH$IUPAC: InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7+,10-8+
AC$INSTRUMENT: HITACHI RMU-6M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f6x-9100000000-8f14a0290404c1565291 PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 27 16.35 164 28 7.13 71 29 5.4 54 38 1.24 12 39 37.47 375 40 4.39 44 41 33.49 335 42 2.04 20 43 1.26 13 50 1.59 16 51 5.21 52 52 3.77 38 53 14.07 141 54 99.99 999 55 9.23 92 63 1.78 18 65 8.5 85 66 13.95 140 67 50.5 505 68 4.17 42 77 11.28 113 78 9.22 92 79 51.44 514 80 38.23 382 81 8.01 80 82 1.24 12 91 99.11 991 92 9.23 92 93 34.04 340 94 9.64 96 95 6.21 62 96 1.42 14 105 7.98 80 106 6.47 65 107 6.37 64 108 7.32 73 109 1.05 11 119 14.41 144 120 8.81 88 121 1.09 11 133 14.26 143 134 12.7 127 135 1.66 17 147 3.03 30 161 1.26 13 162 16.72 167 163 2.42 24 //