ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2/i10D2
CH$LINK: INCHIKEY ZONYXWQDUYMKFB-KBMKNGFXSA-N

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
//