ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000687
RECORD_TITLE: 4',5,7-TRIHYDROXYFLAVONOL; 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$NAME: 4',5,7-TRIHYDROXYFLAVONOL
CH$NAME: 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMENE-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₀O₆
CH$EXACT_MASS: 286.04774
CH$SMILES: Oc(c3)ccc(c3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
CH$IUPAC: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020768

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$SPLASH: splash10-000i-4290000000-ccb984ce16e32c25d878
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  32 5 50
  39 5.9 59
  41 2 20
  43 0.11 1
  44 1.6 16
  50 2.4 24
  51 5.9 59
  52 0.13 1
  53 2.3 23
  55 1.8 18
  62 1.1 11
  63 0.3 3
  64 1 10
  65 8.3 83
  66 1.1 11
  67 0.15 2
  69 17.3 173
  77 4 40
  78 3.5 35
  79 0.17 2
  91 0.9 9
  92 1.4 14
  93 6.1 61
  94 0.15 2
  96 0.9 9
  105 4 40
  106 1.6 16
  108 0.33 3
  115 1 10
  119 1.3 13
  120 1.6 16
  121 1.98 20
  122 1.4 14
  123 1.9 19
  124 1.9 19
  129 0.4 4
  131 1.8 18
  134 3.9 39
  136 4.2 42
  137 0.28 3
  143 6.8 68
  149 6.6 66
  150 0.8 8
  153 0.62 6
  155 1 10
  184 1.7 17
  212 0.8 8
  213 0.47 5
  229 8.2 82
  230 0.9 9
  257 8.3 83
  258 0.95 10
  259 0.8 8
  285 21.8 218
  286 99.99 999
  287 1.68 17
  288 2.2 22
//