MassBank Record: PN000059

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Luteolin 7-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: PN000059
RECORD_TITLE: Luteolin 7-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$NAME: Glucoluteolin
CH$NAME: Luteoloside
CH$NAME: luteolin-7-O-glucoside
CH$NAME: 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone
CH$NAME: Cynaroside
CH$NAME: Luteolin 7-O-glucoside
CH$COMPOUND_CLASS: Natural Product; flavone
CH$FORMULA: C21H20O11
CH$EXACT_MASS: 448.1005614599999944402952678501605987548828125
CH$SMILES: OCC4OC(OC1=CC(O)=C2C(=O)C=C(OC2(=C1))C=3C=CC(O)=C(O)C=3)C(O)C(O)C4(O)
CH$IUPAC: InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
CH$LINK: CAS 5373-11-5
CH$LINK: COMPTOX DTXSID50949617
CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N
CH$LINK: PUBCHEM CID:5280637

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 0.026
AC$CHROMATOGRAPHY: COLUMN_NAME Poroshell 120,EC-C18 2.1x100mm,2.7um
AC$CHROMATOGRAPHY: RETENTION_TIME 308.566

MS$FOCUSED_ION: BASE_PEAK 285.04
MS$FOCUSED_ION: PRECURSOR_M/Z 447.094
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: CHARGE_DECONVOLUTION 2

PK$SPLASH: splash10-000i-0090000000-46d449cdec05ae23c066
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  285.040 999 999
  286.044 159 159
  287.047 26 26
  412.830 70 70
//