MassBank Record: JP000722



 3',4'-METHYLENDIOXYFLAVANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000722
RECORD_TITLE: 3',4'-METHYLENDIOXYFLAVANONE; 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$NAME: 3',4'-METHYLENDIOXYFLAVANONE CH$NAME: 2-(3,4-METHYLENEDIOXYPHENYL)CHROMAN-4-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H12O4 CH$EXACT_MASS: 268.07356 CH$SMILES: O=C(C1)c(c4)c(ccc4)OC1c(c2)cc(O3)c(OC3)c2 CH$IUPAC: InChI=1S/C16H12O4/c17-12-8-15(20-13-4-2-1-3-11(12)13)10-5-6-14-16(7-10)19-9-18-14/h1-7,15H,8-9H2
AC$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: splash10-00kb-3940000000-2db1aabc71133e640984 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 38 1.7 17 39 5.4 54 40 1 10 41 0.32 3 43 1.3 13 44 1.9 19 50 2.1 21 51 0.37 4 53 2 20 55 3 30 57 1.8 18 62 0.25 3 63 10.6 106 64 7.4 74 65 4.6 46 69 0.29 3 70 1.5 15 76 1.7 17 77 2.1 21 78 0.17 2 89 15.4 154 90 5 50 91 6.2 62 92 0.89 9 93 2 20 105 1.5 15 117 1.4 14 118 0.15 2 119 1.9 19 120 3.2 32 121 5.1 51 122 0.67 7 135 25 250 136 2 20 145 1.9 19 146 0.25 3 147 39.9 399 148 99.99 999 149 14.9 149 150 0.17 2 175 1.6 16 181 1.2 12 238 1.4 14 251 0.42 4 267 23.6 236 268 68.7 687 269 11.8 118 270 1.4 14 //