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MassBank Record: TY000143

Luteolin; LC-ESI-ITTOF; MS; [M+H]+

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

ACCESSION: TY000143
RECORD_TITLE: Luteolin; LC-ESI-ITTOF; MS; [M+H]+
DATE: 2016.01.19 (Created 2010.10.14, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Luteolin
CH$NAME: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
CH$NAME: 3',4',5,7-Tetrahydroxy-flavone
CH$NAME: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-benzopyran-4-one
CH$NAME: 3',4',5,7-Tetrahydroxyflavone
CH$NAME: 5,7,3',4'-Tetrahydroxyflavone
CH$NAME: Cyanidenon
CH$NAME: Digitoflavone
CH$NAME: Flacitran
CH$NAME: Luteoline
CH$NAME: Luteolol
CH$NAME: Salifazide
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C15H10O6
CH$EXACT_MASS: 286.04774
CH$SMILES: Oc(c3)c(O)cc(c3)C(=C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
CH$IUPAC: InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
CH$LINK: CAS 491-70-3
CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4074988

AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE +4.50 kV
AC$MASS_SPECTROMETRY: SCANNING 0.1 sec/scan (m/z = 200-2000)
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Atlantis T3 (2.1 x 150 mm, 5 um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 10 % B to 100 % B/40 min
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 14.685000 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: BASE_PEAK 287.053900

PK$SPLASH: splash10-000i-0090000000-7b507d1551bc27fa6952
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  267.188800 16616.000000 3
  287.053900 5300824.000000 999
  287.216700 97871.000000 18
  287.395900 102931.000000 19
  287.575100 54062.000000 10
  288.064200 848382.000000 160
  289.059900 121124.000000 23
  391.263600 17385.000000 3
  571.098100 72151.000000 14
  597.061300 17385.000000 3
  623.985700 17385.000000 3
  625.018300 22062.000000 4
  626.027700 217962.000000 41
  627.013900 79867.000000 15
  628.000900 49782.000000 9
  879.636400 17385.000000 3
  1733.656700 16616.000000 3
//

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