Glabrol; MS2; QIT; M+H; 35%

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

Record Data

Tag Sub Tag Data
ACCESSION PM019130
RECORD_TITLE Glabrol; 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 Glabrol
CH$ NAME 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-8-(3-methyl-2-buten-1-yl)-, (2S)-
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Isoflavane
CH$ LINK CAS 59870-65-4
CH$ FORMULA C25H28O4
CH$ EXACT_MASS 392.20
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 393
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
337
0
100
205
0
15
203
0
10

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