ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000692
RECORD_TITLE: 6-IODOFLAVONOL; 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$NAME: 6-IODOFLAVONOL
CH$NAME: 3-HYDROXY-6-IODO-2-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₉IO₃
CH$EXACT_MASS: 363.95964
CH$SMILES: c(c3)ccc(c3)C(O1)=C(O)C(=O)c(c2)c(ccc(I)2)1
CH$IUPAC: InChI=1S/C15H9IO3/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,18H
CH$LINK: INCHIKEY TZKBZRSSMGARTJ-UHFFFAOYSA-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$SPLASH: splash10-03di-8309000000-128afa14a6c48f07486c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  39 4.3 43
  50 7 70
  51 10.9 109
  62 0.59 6
  63 19.3 193
  73 4.5 45
  74 30 300
  75 3.48 35
  76 20.7 207
  77 48.4 484
  78 4.5 45
  89 1.09 11
  104 5.7 57
  105 17 170
  118 9.5 95
  127 0.59 6
  128 5.5 55
  149 5.9 59
  151 3.6 36
  152 1.82 18
  153 6.8 68
  181 5.2 52
  182 4.1 41
  209 0.75 8
  236 5.9 59
  237 3.6 36
  363 52 520
  364 99.99 999
  365 15.9 159
//