Glycyrrhizinic acid; MS2; QIT; M+H; 35%

2009.11.18 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM019126
RECORD_TITLE Glycyrrhizinic acid; MS2; QIT; M+H; 35%
DATE 2009.11.18
PUBLICATION Simons R, Vincken JP, Bakx EJ, Verbruggen MA, Gruppen H. Rapid Commun Mass Spectrom. 2009 Oct;23(19):3083-93.
PUBLICATION PUBMED 19711301 LinkIcon
AUTHORS F. Matsuda and M. Suzuki.
COMMENTS Obtained from extract mixture
COMMENTS N/D
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Glycyrrhizinic acid
CH$ NAME .alpha.-D-Glucopyranosiduronic acid, (3.beta.,20.beta.)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-.beta.-D-glucopyranuronosyl-
CH$ COMPOUND_CLASS Terpenoid
CH$ COMPOUND_CLASS Triterpenoid
CH$ COMPOUND_CLASS Glycyrrhizininc acid
CH$ LINK CAS 1405-86-3
CH$ FORMULA C42H62O16
CH$ EXACT_MASS 822.40
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3CN/CH3COOH
AC$ ANALYTICAL_CONDITION MS_TYPE QIT
AC$ ANALYTICAL_CONDITION MODEL LTQ-XL
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 35%
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE positive
SP$ SAMPLE Glycyrrhiza glabra
MS$ FOCUSED_ION ION_TYPE M+H
MS$ FOCUSED_ION PRECURSOR_M/Z 823
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
647
0
30
471
0
16
453
0
100

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