Kaempferol-3-Rhamnoside-4''-Rhamnoside-7-Rhamnoside; MS2; QqQ; negative; CE 60 V

2009.2.9 Copyright(C) 2008 Plant Science Center, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PS092112
RECORD_TITLE Kaempferol-3-Rhamnoside-4''-Rhamnoside-7-Rhamnoside; MS2; QqQ; negative; CE 60 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-001934.
COMMENTS PRIMe compound in-house ID T0153
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-Rhamnoside-4''-Rhamnoside-7-Rhamnoside
CH$ NAME Kaem-3-Rha-4''-Rha-7-Rha
CH$ NAME Cassinopin
CH$ COMPOUND_CLASS CLASS1 Flavonoid
CH$ COMPOUND_CLASS CLASS2 Flavonol
CH$ COMPOUND_CLASS CLASS3 Kaempferol glycoside
CH$ FORMULA C33H40O18
CH$ EXACT_MASS 724.221
CH$ LINK CAS 129369-23-9
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 60
AC$ ANALYTICAL_CONDITION SPECTRUM_TYPE Q
AC$ ANALYTICAL_CONDITION DATAFORMAT CENTROID
AC$ ANALYTICAL_CONDITION MODE NEGATIVE
MS$ FOCUSED_ION ION_TYPE [M-H]-
MS$ FOCUSED_ION PRECURSOR_M/Z 723.73
PK$ NUM_PEAK 11
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
283
4034
50
284
35175
444
285
79035
999
286
6147
77
429
5033
63
430
20350
257
431
46717
590
432
16475
208
723
8071
102
724
3980
50
725
2841
35

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