MassBank Record: JP004615



 (1E,7E,11E)-1-ACETYL-3,4-EPOXY-4,8,12-TRIMETHYLCYCLOTETRDECATRIENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004615
RECORD_TITLE: (1E,7E,11E)-1-ACETYL-3,4-EPOXY-4,8,12-TRIMETHYLCYCLOTETRDECATRIENE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KATO TDEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV., DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (1E,7E,11E)-1-ACETYL-3,4-EPOXY-4,8,12-TRIMETHYLCYCLOTETRDECATRIENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C19H28O2 CH$EXACT_MASS: 288.20893 CH$SMILES: [H]C(C2)=C(C)CCC(C(C)=O)=C([H])C(O1)C(C)(CCC([H])=C(C)C2)1 CH$IUPAC: InChI=1S/C19H28O2/c1-14-7-5-8-15(2)10-11-17(16(3)20)13-18-19(4,21-18)12-6-9-14/h8-9,13,18H,5-7,10-12H2,1-4H3/b14-9+,15-8+,17-13+ CH$LINK: INCHIKEY OOUAMFIGDJHZPY-FFHLZWFVSA-N
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0007-9300000000-965af636ae75fda52918 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 18 7.5 75 28 3.5 35 29 2.8 28 41 1.18 12 43 99.99 999 53 5.3 53 55 11 110 58 0.32 3 67 16.9 169 68 14.6 146 69 16.1 161 71 0.35 4 77 4.2 42 79 8.6 86 81 18.4 184 82 0.38 4 83 3.5 35 91 6.6 66 93 14.2 142 94 0.62 6 95 99.5 995 96 14.6 146 97 6.7 67 105 0.57 6 107 12.1 121 108 5.1 51 109 19.1 191 110 0.48 5 111 3.8 38 119 6.5 65 121 10 100 122 1.41 14 123 6.2 62 124 6.7 67 125 8.1 81 133 0.38 4 134 2.8 28 135 8.8 88 136 4 40 137 0.58 6 145 2.5 25 147 3.9 39 148 3.8 38 149 0.39 4 150 1.9 19 151 2 20 152 1.9 19 159 0.2 2 161 3.8 38 162 4.8 48 163 4.2 42 175 0.31 3 189 1.8 18 190 1.8 18 203 1.8 18 227 0.1 1 231 1 10 245 1.3 13 273 1 10 288 1.5 15 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)