ACCESSION: MSBNK-RIKEN_ReSpect-PT204650
RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QTOF; MS2
DATE: 2008.09.26
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Quercetin 3-beta-D-galactopyranoside
CH$NAME: Hyperosid
CH$NAME: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CH$NAME: Hyperoside
CH$NAME: Quercetin-3-O-beta-D-galactoside
CH$NAME: Hyperozide
CH$NAME: 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
CH$NAME: Jyperin
CH$NAME: Quer-3-Gal
CH$NAME: quercetin-3-beta-O-galactoside
CH$NAME: Hyperin
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavonol CLASS3 Quercetin glycoside
CH$FORMULA: C₂₁H₂₀O₁₂
CH$EXACT_MASS: 464.379
CH$SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
CH$IUPAC: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2
CH$LINK: CAS 482-36-0
CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 463.08765

PK$SPLASH: splash10-0w29-0189500000-7ff049ba7cc9caedea63
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  151.0047 616.5 116
  178.9994 306.1 58
  227.0367 345.8 65
  243.0319 928.8 175
  255.032 1850.0 349
  271.0266 3683.0 694
  272.0327 378.6 71
  300.0288 5301.0 999
  301.0383 2721.0 513
  463.0876 4329.0 816
  464.0979 461.7 87
//