ACCESSION: MSBNK-Univ_Toyama-TY000144
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 NEGATIVE
AC$MASS_SPECTROMETRY: CDL_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: INTERFACE_VOLTAGE -3.50 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 14.539117 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN
MS$FOCUSED_ION: BASE_PEAK 285.032900
PK$SPLASH: splash10-0079-0090080000-7141ab1d540bde706a98
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
285.032900 9583932.000000 999
285.195200 168052.000000 18
285.341200 203015.000000 21
285.552300 60845.000000 6
286.039700 1751701.000000 183
287.048200 169367.000000 18
399.031400 1049019.000000 109
400.030200 339412.000000 35
553.044600 95431.000000 10
569.068200 283217.000000 30
570.077300 132399.000000 14
571.087300 6955794.000000 725
571.317000 119556.000000 12
571.500700 132905.000000 14
571.822400 94364.000000 10
572.098200 2419145.000000 252
573.086900 441755.000000 46
574.076500 60845.000000 6
593.064700 60845.000000 6
623.997300 132399.000000 14
625.005900 71306.000000 7
791.350200 57643.000000 6
910.034200 60845.000000 6
//
