ACCESSION: MSBNK-RIKEN_ReSpect-PT103930
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 Ramp 5-45 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$SPLASH: splash10-00di-0290000000-3406e459293197b27907
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  91.0555 56.75 63
  119.0497 68.55 76
  153.0195 155.9 174
  271.0606 896.7 999
//