ACCESSION: MSBNK-Univ_Toyama-TY000146
RECORD_TITLE: Luteolin-7-O-glucoside; LC-ESI-ITTOF; MS2; [M+H]+
DATE: 2016.01.19 (Created 2010.10.14, modified 2011.05.06)
AUTHORS: Toshimitsu HAYASHI, Ken TANAKA
LICENSE: CC BY-SA

CH$NAME: Luteolin 7-glucoside
CH$NAME: Cynaroside
CH$NAME: 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
CH$NAME: Luteolin 7-beta-D-glucopyranoside
CH$NAME: 7-Glucoluteolin
CH$NAME: 7-beta-D-Glucosylluteolin
CH$NAME: 7-beta-Glucosylluteolin
CH$NAME: Cinaroside
CH$NAME: Glucoluteolin
CH$NAME: Luteolin 7-O-glucopyranoside
CH$NAME: Luteolin 7-O-glucoside
CH$NAME: Luteolin 7-O-monoglucoside
CH$NAME: Luteolin 7-O-beta-D-glucopyranoside
CH$NAME: Luteolin 7-O-beta-D-glucoside
CH$NAME: Luteolin 7-O-beta-glucopyranoside
CH$NAME: Luteolin 7-O-beta-glucoside
CH$NAME: Luteolin 7-monoglucoside
CH$NAME: Luteolin 7-beta-D-glucoside
CH$NAME: Luteolin 7-beta-glucoside
CH$NAME: Luteolin 7-beta-monoglucoside
CH$NAME: Luteolin-7-D-glucopyranoside
CH$NAME: Luteoloside
CH$NAME: Nephrocizin
CH$NAME: Nephrocizine
CH$NAME: Luteolin-7-O-glucoside
CH$COMPOUND_CLASS: Natural Product; Flavonoid
CH$FORMULA: C₂₁H₂₀O₁₁
CH$EXACT_MASS: 448.10056
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc(c4)cc(O2)c(c(O)4)C(=O)C=C2c(c3)cc(O)c(O)c3
CH$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: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N
CH$LINK: COMPTOX DTXSID50949617

AC$INSTRUMENT: LCMS-IT-TOF
AC$INSTRUMENT_TYPE: LC-ESI-ITTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$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 11.188617 min
AC$CHROMATOGRAPHY: SOLVENT A 5 mM ammonium acetate
AC$CHROMATOGRAPHY: SOLVENT B CH3CN

MS$FOCUSED_ION: BASE_PEAK 287.053900
MS$FOCUSED_ION: PRECURSOR_M/Z 449.105600

PK$SPLASH: splash10-000i-0090000000-31bb8bd03bfd2eff538b
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  153.016200 250781.000000 14
  245.048400 72668.000000 4
  287.053900 18421259.000000 999
  287.200400 351645.000000 19
  287.395900 474430.000000 26
  287.575100 304384.000000 17
  287.787000 120067.000000 7
  288.047900 1880170.000000 102
//