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MassBank Record: MSBNK-RIKEN_ReSpect-PT104030

Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol, 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT104030
RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol, 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one; 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$NAME: Kaempferol 4'-methyl ether
CH$NAME: 3,5,7-trihydroxy-4'-methoxyflavone
CH$NAME: 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-
CH$NAME: Kaempferid
CH$NAME: Kaer
CH$NAME: Kaempferide
CH$NAME: 4'-O-Methylkaempferol
CH$NAME: 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavonol CLASS3 Kaempferol
CH$FORMULA: C16H12O6
CH$EXACT_MASS: 300.266
CH$SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
CH$IUPAC: InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
CH$LINK: CAS 491-54-3
CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-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 301.07119

PK$SPLASH: splash10-0udi-0149000000-1df74514de686b6f8d9c
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  153.0201 139.3 118
  201.0568 64.25 54
  229.0518 188.0 159
  230.0592 140.3 119
  258.0548 134.5 114
  286.0504 88.7 75
  301.0712 1182.0 999
//

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