MassBank Record: PN000061

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Luteolin 4'-O-glucoside; ESI-TOF; MS2; CE:25 eV; [M-H]-

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

ACCESSION: PN000061
RECORD_TITLE: Luteolin 4'-O-glucoside; ESI-TOF; MS2; CE:25 eV; [M-H]-
DATE: 2011.03.19
AUTHORS: Institute of Bioorganic Chemistry, Polish Academy of Sciences,Poland/Anna Staszków
LICENSE: CC BY-SA
COPYRIGHT: Copyright(C) 2011
COMMENT: lupinus_mexico

CH$NAME: 3',4',5,7-Tetrahydroxyflavone-4'-glucoside
CH$NAME: luteolin-4'-O-glucoside
CH$NAME: Luteolin 4'-O-glucoside
CH$NAME: 4',5,7-TetrahydroxyFLAVone-4'-GLUCOSide
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C21H20O11
CH$EXACT_MASS: 448.1005614599999944402952678501605987548828125
CH$SMILES: OCC4OC(OC=1C=CC(=CC=1(O))C2=CC(=O)C3=C(O)C=C(O)C=C3(O2))C(O)C(O)C4(O)
CH$IUPAC: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
CH$LINK: CAS 6920-38-3
CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N
CH$LINK: PUBCHEM CID:5319116

AC$INSTRUMENT: micrOTOF-Q
AC$INSTRUMENT_TYPE: ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: COLLISION_GAS argon
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 7
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 49.999-1200
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.024
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 330.714

MS$FOCUSED_ION: BASE_PEAK 412.828
MS$FOCUSED_ION: PRECURSOR_M/Z 447.093
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-03di-0030900000-5ff80f584049812dd369
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  285.041 520 520
  412.828 999 999
  413.815 241 241
  414.817 242 242
//