ACCESSION: MSBNK-RIKEN_ReSpect-PT204043
RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Flacitran
CH$NAME: Weld Lake
CH$NAME: Lutl
CH$NAME: Digitoflavone
CH$NAME: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
CH$NAME: 3',4',5,7-tetrahydroxyflavone
CH$NAME: Yama kariyasu
CH$NAME: Luteolin
CH$NAME: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
CH$NAME: Cyanidenon 1470
CH$NAME: Luteolol
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavone CLASS3 Luteolin
CH$FORMULA: C₁₅H₁₀O₆
CH$EXACT_MASS: 286.239
CH$SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
CH$IUPAC: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
CH$LINK: CAS 491-70-3
CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 285.03994

PK$SPLASH: splash10-001i-0900000000-4b5589ca157de0b5885b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  63.0246 27.69 20
  65.0044 87.17 63
  83.0138 75.82 55
  105.0345 40.25 29
  107.0139 199.2 145
  121.0287 63.59 46
  132.0204 83.7 61
  133.0282 1373.0 999
  143.0498 21.37 16
  145.0287 20.58 15
  147.0435 17.81 13
  149.0236 71.62 52
  151.0021 128.2 93
  171.0441 25.29 18
  174.03 15.1 11
  175.0391 99.27 72
  198.0315 24.37 18
  199.0384 53.52 39
  201.0176 38.05 28
  215.0341 18.58 14
  217.0483 17.57 13
  285.0399 29.92 22
//