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ACCESSION
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Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside; MS2; QqQ; positive; CE 40 V
2009.2.9 Copyright(C) 2008 Plant Science Center, RIKEN
Record Data
| Tag | Sub Tag | Data |
|---|---|---|
| ACCESSION | PS091704 | |
| RECORD_TITLE | Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside; MS2; QqQ; positive; CE 40 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 AnalytiCon, NP-002320. | |
| COMMENTS | PRIMe compound in-house ID T0149 | |
| 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 | Kaempferol-3-Glucoside-2''-Rhamnoside-7-Rhamnoside | |
| CH$ NAME | Kaem-3-Glc-2''-Rha-7-Rha | |
| CH$ COMPOUND_CLASS | CLASS1 | Flavonoid |
| CH$ COMPOUND_CLASS | CLASS2 | Flavonol |
| CH$ COMPOUND_CLASS | CLASS3 | Kaempferol glycoside |
| CH$ FORMULA | C33H40O19 | |
| CH$ EXACT_MASS | 740.216 | |
| CH$ LINK | CAS | 162062-89-7 |
| 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 | 40 |
| 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 | 741.71 |
| 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
71
6508
71
85
17986
197
129
16191
177
146
4540
49
147
15158
166
286
21101
231
287
90990
999
288
7153
78
432
14005
153
433
44483
488
434
15554
170
|
