MassBank Record: JP000634



 FLAVANONE (3,3-D2); EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000634
RECORD_TITLE: FLAVANONE (3,3-D2); 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$NAME: FLAVANONE (3,3-D2) CH$NAME: 2-PHENYLCHROMAN-4-ONE (3,3-D2) CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H12O2 CH$EXACT_MASS: 224.08373 CH$SMILES: c(c3)ccc(c3)C(O1)C([2H])([2H])C(=O)c(c2)c(ccc2)1 CH$IUPAC: InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/i10D2
AC$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: splash10-05di-3940000000-73407d62df49d2e55b51 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 28 3.9 39 39 2.7 27 50 1 10 51 0.4 4 52 1.5 15 63 9.1 91 64 12.9 129 65 0.13 1 66 1.7 17 77 3.7 37 78 5.7 57 79 0.75 8 80 2.8 28 91 1.5 15 92 46 460 93 0.23 2 104 5.5 55 105 11 110 106 41.1 411 107 0.13 1 120 99.99 999 121 7.2 72 122 5.9 59 148 0.2 2 149 40.5 405 150 1.5 15 208 2.6 26 224 0.43 4 225 33.7 337 226 67.5 675 227 8.9 89 //