ACCESSION: MSBNK-RIKEN_ReSpect-PT104090
RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; 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$NAME: Meletin
CH$NAME: Quercitin
CH$NAME: Quertine
CH$NAME: Quercetol
CH$NAME: Quercetin
CH$NAME: Kvercetin
CH$NAME: Quer
CH$NAME: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CH$NAME: Flavin meletin
CH$NAME: 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
CH$NAME: 3,3',4',5,7-pentahydroxyflavone
CH$NAME: Quercetine
CH$NAME: Xanthaurine
CH$NAME: Sophoretin
CH$NAME: 3',4',5,7-Tetrahydroxyflavan-3-ol
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavonol CLASS3 Quercetin
CH$FORMULA: C₁₅H₁₀O₇
CH$EXACT_MASS: 302.238
CH$SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
CH$IUPAC: InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
CH$LINK: CAS 117-39-5
CH$LINK: INCHIKEY REFJWTPEDVJJIY-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 303.05045

PK$SPLASH: splash10-0udi-0219000000-547c83bb70e7da007d6c
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  137.0241 9.99 96
  153.0195 14.62 141
  229.0485 12.37 119
  303.0504 103.6 999
//