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MassBank Record: NGA03280

glucoluteolin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

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

ACCESSION: NGA03280
RECORD_TITLE: glucoluteolin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-000b-0070900000-539964178d1abb7241b8
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  286.2 0.83 0
  286.3 2.69 2
  286.4 6.12 6
  286.5 11.61 11
  286.6 19.87 19
  286.7 32.8 32
  286.8 50.79 50
  286.9 69.94 69
  287.0 83.53 83
  287.1 86.67 86
  287.2 78.25 78
  287.3 59.65 59
  287.4 35.2 35
  287.5 12.8 12
  287.6 0.46 0
  448.2 1.94 1
  448.3 3.82 3
  448.4 7.01 7
  448.5 12.69 12
  448.6 23.01 22
  448.7 39.48 39
  448.8 60.21 60
  448.9 79.97 79
  449.0 93.83 93
  449.1 100.0 99
  449.2 97.77 97
  449.3 84.75 84
  449.4 60.08 60
  449.5 30.15 30
  449.6 6.64 6
  449.7 0.0 0
//

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