ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000644
RECORD_TITLE: 2'-HYDROXY-5,7-DIMETHYLFLAVONOL; 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$NAME: 2'-HYDROXY-5,7-DIMETHYLFLAVONOL
CH$NAME: 3-HYDROXY-2-(2-HYDROXYPHENYL)-5,7-DIMETHYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄O₄
CH$EXACT_MASS: 282.08921
CH$SMILES: Cc(c3)cc(O1)c(c(C)3)C(=O)C(O)=C1c(c2)c(O)ccc2
CH$IUPAC: InChI=1S/C17H14O4/c1-9-7-10(2)14-13(8-9)21-17(16(20)15(14)19)11-5-3-4-6-12(11)18/h3-8,18,20H,1-2H3
CH$LINK: INCHIKEY JKOTWEMYCDJUBR-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$SPLASH: splash10-00lr-1290000000-c1ca2c0b48d699b1a4e5
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  39 9.6 96
  41 2 20
  51 7.2 72
  53 0.24 2
  63 3.1 31
  65 9.8 98
  76 2.4 24
  77 1.57 16
  78 6.9 69
  91 13.3 133
  92 2.2 22
  93 0.35 4
  103 4.3 43
  104 5.9 59
  105 5.7 57
  119 0.21 2
  120 3.8 38
  121 8.7 87
  122 13.3 133
  132 0.39 4
  134 8.8 88
  141 9.4 94
  148 4.1 41
  149 4.98 50
  150 3.2 32
  165 3 30
  209 5.1 51
  211 0.45 5
  225 4.7 47
  253 7.9 79
  254 5.1 51
  264 0.21 2
  265 92.4 924
  266 19.3 193
  281 5.3 53
  282 99.99 999
  283 26.5 265
  284 2.4 24
//