MassBank Record: JP000676



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

ACCESSION: JP000676
RECORD_TITLE: 6-BROMOFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6-BROMOFLAVANONE CH$NAME: 6-BROMO-2-PHENYLCHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H11BrO2 CH$EXACT_MASS: 301.99424 CH$SMILES: c(c3)ccc(c3)C(C1)Oc(c2)c(cc(Br)c2)C(=O)1 CH$IUPAC: InChI=1S/C15H11BrO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
AC$INSTRUMENT: JEOL JMS-06-H AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-5913000000-2e9740ae0e0c93a9c98e PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 31 2 20 32 5.9 59 38 2.6 26 39 1.07 11 43 2.3 23 45 2.2 22 50 9.9 99 51 2.4 24 52 6.2 62 53 4.8 48 61 3.1 31 62 1.49 15 63 65.4 654 64 6.7 67 65 4.7 47 69 0.54 5 74 6.3 63 75 8.6 86 76 7.4 74 77 3.58 36 78 33.3 333 79 2.3 23 89 6.5 65 91 1.14 11 92 2.2 22 102 8.5 85 103 44.4 444 104 99.99 999 105 9.5 95 119 2.8 28 131 9.4 94 142 0.53 5 143 2.7 27 144 5.1 51 149 4.8 48 152 0.27 3 165 4 40 170 25.7 257 171 2.7 27 172 2.56 26 173 2.5 25 198 81.5 815 199 9.5 95 200 7.78 78 201 9.9 99 223 5.4 54 224 2.7 27 225 2.48 25 226 4.6 46 227 23.3 233 285 3.3 33 287 0.27 3 301 26.3 263 302 50.6 506 303 34.6 346 304 4.81 48 305 7.2 72 //