ACCESSION: MSBNK-RIKEN_NPDepo-NGA03279
RECORD_TITLE: glucoluteolin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C21H20O11
COMMENT: Bottle Name:Homoorientin / luteolin-7-O-glucoside / Orientin
COMMENT: PRIME Parent Name:Luteolin-6-C-glucoside / Luteolin-7-O-glucoside / Luteolin-8-C-glucoside
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$NAME: Lutl-6-C-Glc
CH$NAME: Homoorientin
CH$NAME: Isoorientin
CH$NAME: luteolin-6-C-glucoside
CH$NAME: luteolin- 6-C-beta-D-glucopyranoside / Lutl-7-Glc
CH$NAME: Cynaroside
CH$NAME: Cinaroside
CH$NAME: Glucoluteolin
CH$NAME: 7-Glucosylluteolin
CH$NAME: Luteoloside
CH$NAME: Luteolin 7-O-beta-D-glucoside
CH$NAME: Luteolin 7-O-glucopyranoside
CH$NAME: 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone
CH$NAME: 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one / Lutl-8-C-Glc
CH$NAME: Orientin
CH$NAME: Lutexin
CH$NAME: 8-beta-D-glucosylluteolin
CH$NAME: luteolin-8-c-beta-d-glucopyranoside
CH$NAME: glucoluteolin
CH$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$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0090100000-95b0f7e94fe3d6908a11
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  286.2 0.98 0
  286.3 1.98 1
  286.4 5.44 5
  286.5 12.39 12
  286.6 23.9 23
  286.7 40.38 40
  286.8 60.57 60
  286.9 80.73 80
  287.0 95.5 95
  287.1 100.0 99
  287.2 91.48 91
  287.3 70.51 70
  287.4 42.44 42
  287.5 16.64 16
  287.6 1.05 1
  448.5 2.05 2
  448.6 3.78 3
  448.7 6.43 6
  448.8 9.99 9
  448.9 13.57 13
  449.0 15.87 15
  449.1 16.24 16
  449.2 14.96 14
  449.3 12.27 12
  449.4 8.27 8
  449.5 3.86 3
//