ACCESSION: MSBNK-RIKEN_NPDepo-CB000316
RECORD_TITLE: glucoluteolin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant,
COMMENT: PRIME Parent Name:Luteolin-6-C-glucoside / Luteolin-7-O-glucoside / Luteolin-8-C-glucoside
COMMENT: Synonyms : Lutl-6-C-Glc; Homoorientin; Isoorientin; luteolin-6-C-glucoside; luteolin- 6-C-beta-D-glucopyranoside / Lutl-7-Glc; Cynaroside; Cinaroside; Glucoluteolin; 7-Glucosylluteolin; Luteoloside; Luteolin 7-O-beta-D-glucoside; Luteolin 7-O-glucopyranoside; 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone; 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one / Lutl-8-C-Glc; Orientin; Lutexin; 8-beta-D-glucosylluteolin; luteolin-8-c-beta-d-glucopyranoside
COMMENT: PRIME in-house No.:?H0033 H0034 S0306, Pyrans (?H0033: Luteolin-6-C-glucoside, ?H0034: Luteolin-7-O-glucoside, ?S0306: Luteolin-8-C-glucoside)

CH$NAME: glucoluteolin
CH$NAME: Homoorientin
CH$NAME: luteolin-7-O-glucoside
CH$NAME: Orientin
CH$COMPOUND_CLASS: Flavonoids
CH$FORMULA: C₂₁H₂₀O₁₁
CH$EXACT_MASS: 448.387
CH$SMILES: O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
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 4261-42-1 26811-41-6 28608-75-5
CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N
CH$LINK: COMPTOX DTXSID50949617
CH$LINK: PUBCHEM CID:5280637

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000j-0490800010-9e8b5e44b8e517cad1df
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  100.7000 206245.5156 151
  100.8000 479803.4063 354
  100.9000 720243.7500 531
  101.0000 886909.4375 655
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  101.4000 445339.5000 328
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  1344.8000 34733.2500 24
  1345.4000 55734.7500 40
//