ACCESSION: MSBNK-RIKEN_ReSpect-PT103933
RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, Chamomile, Apig; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: Apigenol
CH$NAME: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone
CH$NAME: 4',5,7-trihydroxyflavone
CH$NAME: Apigenin
CH$NAME: Naringenin Chalcone
CH$NAME: 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CH$NAME: Chamomile
CH$NAME: Apig
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavone CLASS3 Apigenin
CH$FORMULA: C₁₅H₁₀O₅
CH$EXACT_MASS: 270.24
CH$SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
CH$IUPAC: InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
CH$LINK: CAS 520-36-5
CH$LINK: INCHIKEY KZNIFHPLKGYRTM-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 POSITIVE
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 271.06062

PK$SPLASH: splash10-0v4i-3910000000-3572b48dde802358120c
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  67.0186 61.32 180
  68.9985 54.83 161
  91.0549 109.9 323
  119.0501 159.2 468
  121.0305 56.76 167
  141.0732 20.44 60
  145.0296 69.38 204
  153.0198 339.9 999
  163.0419 24.36 72
  243.0659 22.34 66
  271.0606 125.8 370
//