| ReSpect |
ACCESSION
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Quercetin-3-O-beta-D-galactoside; MS2; Q-Tof; [M-H]-
2008.9.26 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
| Tag | Sub Tag | Data |
|---|---|---|
| ACCESSION | PT204650 | |
| RECORD_TITLE | Quercetin-3-O-beta-D-galactoside; MS2; Q-Tof; [M-H]- | |
| DATE | 2008.9.26 | |
| AUTHORS | Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
| COPYRIGHT | Copyright(C) 2009 Plant Science Center, RIKEN | |
| COMMENTS | Build 1 2009/06/24 | |
| COMMENTS | Acquisition and generation of the data is financially supported in part by CREST/JST. | |
| STRUCTURE_FILE_NAME | N/A | |
| CH$ NAME | Quercetin-3-O-beta-D-galactoside | |
| CH$ NAME | Quer-3-Gal | |
| CH$ NAME | Hyperoside | |
| CH$ NAME | Hyperin | |
| CH$ NAME | quercetin-3-beta-O-galactoside | |
| CH$ NAME | Hyperozide | |
| CH$ NAME | Hyperosid | |
| CH$ NAME | Jyperin | |
| CH$ NAME | Quercetin 3-beta-D-galactopyranoside | |
| CH$ NAME | 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one | |
| 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$ COMPOUND_CLASS | CLASS1 | Flavonoid |
| CH$ COMPOUND_CLASS | CLASS2 | Flavonol |
| CH$ COMPOUND_CLASS | CLASS3 | Quercetin glycoside |
| CH$ FORMULA | C21H20O12 | |
| CH$ EXACT_MASS | 464.38 | |
| CH$ LINK | CAS | 482-36-0 |
| 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=1/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/t13-,15+,17+,18-,21+/m1/s1 | |
| AC$ INSTRUMENT | Q-Tof Premier, Waters | |
| AC$ INSTRUMENT_TYPE | N/A | |
| AC$ ANALYTICAL_CONDITION | MS_TYPE | LC-Q-TOF/MS |
| AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
| AC$ ANALYTICAL_CONDITION | SOURCE_TEMPERATURE | 120 C |
| AC$ ANALYTICAL_CONDITION | PRECURSOR_SELECTION | Q |
| AC$ ANALYTICAL_CONDITION | FRAGMENTATION_EQUIPMENT | Q |
| AC$ ANALYTICAL_CONDITION | FRAGMENTATION_METHOD | LOW-ENERGY CID |
| AC$ ANALYTICAL_CONDITION | COLLISION_ENERGY | Ramp 5-45 V |
| AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | TOF |
| AC$ ANALYTICAL_CONDITION | DATAFORMAT | Continuum |
| AC$ ANALYTICAL_CONDITION | SOLVENT | CH3CN/H2O |
| AC$ ANALYTICAL_CONDITION | MODE | NEGATIVE |
| AC$ ANALYTICAL_CONDITION | CAPILLARY_VOLTAGE | 3.0 kV |
| AC$ ANALYTICAL_CONDITION | SAMPLING_CONE | 35.0 V |
| MS$ FOCUSED_ION | ION_TYPE | [M-H]- |
| MS$ FOCUSED_ION | PRECURSOR_M/Z | 463.08765 |
| PK$ NUM_PEAK | 11 | |
| PK$ PEAK |
m/z int. rel.int. ![[-]](/menta.cgi/static/respect/images/iconMinus.gif){kind=small} m/z
Intensity
Relative intensity
151.0047
616.5
116
178.9994
306.1
57
227.0367
345.8
65
243.0319
928.8
175
255.032
1850
348
271.0266
3683
694
272.0327
378.6
71
300.0288
5301
999
301.0383
2721
512
463.0876
4329
815
464.0979
461.7
87
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