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ACCESSION
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cyanidin-3-O-rhamnoside chloride; MS2; Q-Tof; [M-2H]-
2008.7.29 Copyright(C) 2009 Plant Science Center, RIKEN
Record Data
Tag | Sub Tag | Data |
---|---|---|
ACCESSION | PT211280 | |
RECORD_TITLE | cyanidin-3-O-rhamnoside chloride; MS2; Q-Tof; [M-2H]- | |
DATE | 2008.7.29 | |
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 | cyanidin-3-O-rhamnoside chloride | |
CH$ NAME | Cynd-3-Rha | |
CH$ NAME | Cyanidin 3-rhamnoside | |
CH$ COMPOUND_CLASS | CLASS1 | Flavonoid |
CH$ COMPOUND_CLASS | CLASS2 | Anthocyanin |
CH$ COMPOUND_CLASS | CLASS3 | Cyanidin glycoside |
CH$ FORMULA | C21H21O10 | |
CH$ EXACT_MASS | 433.39 | |
CH$ LINK | CAS | 38533-30-1 |
CH$ SMILES | c | |
CH$ IUPAC | 1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/f/h6H | |
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-2H]- |
MS$ FOCUSED_ION | PRECURSOR_M/Z | 431.09784 |
PK$ NUM_PEAK | 6 | |
PK$ PEAK |
m/z int. rel.int. ![]() ![]() ![]()
147.0089
144
185
211.0405
93.29
120
255.0306
126.4
162
284.0336
708.9
913
285.0417
774.9
999
431.0978
559.9
721
|