MassBank Record: JP000765



 3,7-BIS(BROMOMETHYL)-2-METHOXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000765
RECORD_TITLE: 3,7-BIS(BROMOMETHYL)-2-METHOXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3,7-BIS(BROMOMETHYL)-2-METHOXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H10Br2O2 CH$EXACT_MASS: 319.90475 CH$SMILES: COC(=C(CBr)1)C(=O)C(CBr)=CC=C1 CH$IUPAC: InChI=1S/C10H10Br2O2/c1-14-10-8(6-12)4-2-3-7(5-11)9(10)13/h2-4H,5-6H2,1H3
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$SPLASH: splash10-0006-5791000000-b28b35a89b3ae572eadc PK$NUM_PEAK: 61 PK$PEAK: m/z int. rel.int. 63 11 110 64 6 60 65 39.5 395 66 0.4 4 76 3 30 77 13 130 78 12 120 79 0.6 6 89 9 90 90 10 100 91 41 410 92 0.6 6 93 6 60 102 9 90 103 20 200 104 1.95 20 105 55 550 106 16 160 107 3.5 35 108 2.6 26 109 4 40 115 3 30 116 2.5 25 117 0.25 3 118 3 30 119 12.5 125 120 4.5 45 131 0.7 7 132 5 50 133 19 190 134 9 90 147 0.45 5 161 7 70 162 9 90 181 3 30 183 1.6 16 184 3.5 35 185 16 160 186 2.5 25 197 0.3 3 211 4.5 45 212 5.5 55 213 5.5 55 214 0.4 4 215 4.5 45 223 3.5 35 225 4 40 227 0.3 3 229 3.5 35 240 5 50 241 97 970 242 1.55 16 243 99.99 999 244 14.5 145 245 4.5 45 320 1.15 12 321 4 40 322 22.5 225 323 4.5 45 324 1.15 12 325 2 20 //