Kaempferol-7-O-neohesperidoside; MS2; QqQ; M-H; -40

2006.4.20 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM000417
RECORD_TITLE Kaempferol-7-O-neohesperidoside; MS2; QqQ; M-H; -40
DATE 2006.4.20
PUBLICATION Sanchez-Rabaneda F, Jauregui O, Casals I, Andres-Lacueva C, Izquierdo-Pulido M, Lamuela-Raventos RM.;Journal of Mass Spectrometry;2003 Jan;38(1):35-42.
PUBLICATION PUBMED 12526004 LinkIcon
AUTHORS Sanchez-Rabaneda F, et al.
COMMENTS N/A
COMMENTS 726
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Kaempferol-7-O-neohesperidoside
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Flavonol
CH$ COMPOUND_CLASS Kaempferol glycoside
CH$ LINK CAS 17353-03-6
CH$ FORMULA C27H30O15
CH$ EXACT_MASS 594.16
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/NH3CN/HCOOH
AC$ ANALYTICAL_CONDITION MS_TYPE QqQ
AC$ ANALYTICAL_CONDITION MODEL API 3000
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY -40
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE negative
SP$ SAMPLE Theobroma cacao
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 593
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
593
0
20
327
0
5
285
0
100

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