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ACCESSION
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Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside; MS2; QqQ; positive; CE 30 V
2009.2.9 Copyright(C) 2008 Plant Science Center, RIKEN
Record Data
| Tag | Sub Tag | Data |
|---|---|---|
| ACCESSION | PS117503 | |
| RECORD_TITLE | Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside; MS2; QqQ; positive; CE 30 V | |
| DATE | 2009.2.9 | |
| AUTHORS | Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN | |
| COPYRIGHT | Copyright(C) 2008 Plant Science Center, RIKEN | |
| COMMENTS | Build 5 | |
| COMMENTS | Data acquisition and generation is financially supported in part by CREST/JST. | |
| COMMENTS | Source compound Nakabayashi_Chiba_Univ, -. | |
| COMMENTS | PRIMe compound in-house ID R0022 | |
| COMMENTS | This spectra was automatically generated from the raw data without manual curation of data quality. | |
| COMMENTS | The spectral data and services are available to the research and academic community only. | |
| COMMENTS | All users must cite follwing literature in publication(s). | |
| PUBLICATION | Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183 | |
| STRUCTURE_FILE_NAME | N/A | |
| CH$ NAME | Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside | |
| CH$ NAME | Quer-3-Glc-7-Rha | |
| CH$ NAME | SPECIES | |
| CH$ NAME | quercetin-3-glucoside-7-rhamnoside | |
| CH$ COMPOUND_CLASS | CLASS1 | Flavonoid |
| CH$ COMPOUND_CLASS | CLASS2 | Flavonol |
| CH$ COMPOUND_CLASS | CLASS3 | Quercetin glycoside |
| CH$ FORMULA | C27H30O16 | |
| CH$ EXACT_MASS | 610.153 | |
| CH$ LINK | CAS | 18016-58-5 |
| CH$ LINK | KEGG | - |
| CH$ LINK | PUBCHEM | CID - |
| CH$ SMILES | no data | |
| CH$ INCHI | no data | |
| CH$ IUPAC | no data | |
| AC$ INSTRUMENT | TQD, Waters | |
| AC$ INSTRUMENT_TYPE | N/A | |
| AC$ ANALYTICAL_CONDITION | MS_TYPE | Flow-injection QqQ/MS |
| AC$ ANALYTICAL_CONDITION | IONIZATION | ESI |
| 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 | 30 |
| AC$ ANALYTICAL_CONDITION | SPECTRUM_TYPE | Q |
| AC$ ANALYTICAL_CONDITION | DATAFORMAT | CENTROID |
| AC$ ANALYTICAL_CONDITION | MODE | POSITIVE |
| MS$ FOCUSED_ION | ION_TYPE | [M+H]+ |
| MS$ FOCUSED_ION | PRECURSOR_M/Z | 611.52 |
| PK$ NUM_PEAK | 9 | |
| PK$ PEAK |
m/z int. rel.int. ![[-]](/menta.cgi/static/respect/images/iconMinus.gif){kind=small} m/z
Intensity
Relative intensity
84
5956
43
85
6038
44
145
8254
60
302
38558
282
303
136247
999
304
25127
184
448
25285
185
449
40249
295
450
21926
160
|
