3-Demethoxy-9a-hydroxylpiperitol-O-diglucoside; MS2; QIT; M-H; 35%

2006.6.2 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM002601
RECORD_TITLE 3-Demethoxy-9a-hydroxylpiperitol-O-diglucoside; MS2; QIT; M-H; 35%
DATE 2006.6.2
PUBLICATION Ye M, Yan Y, Guo DA.;Rapid Communications in Mass Spectrometry;2005;19(11):1469-84.
PUBLICATION PUBMED 15880618 LinkIcon
AUTHORS Ye M, Yan Y, & Guo DA
COMMENTS interpretasion of fragment patterns, MSn spectra
COMMENTS 768
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME 3-Demethoxy-9a-hydroxylpiperitol-O-diglucoside
CH$ COMPOUND_CLASS Other
CH$ COMPOUND_CLASS Other
CH$ COMPOUND_CLASS Other
CH$ LINK CAS N/A
CH$ FORMULA C31H38O16
CH$ EXACT_MASS 666.22
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT CH3CN/H2O/CH3COOH
AC$ ANALYTICAL_CONDITION MS_TYPE QIT
AC$ ANALYTICAL_CONDITION MODEL LCQ
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 35%
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE negative
SP$ SAMPLE Cuscuta chinensis
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 665
PK$ NUM_PEAK 4
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
605
0
15
575
0
3
545
0
2
503
0
100

RIKEN Center for Sustainable Resource Science : Metabolomics Research Group, LC-MS Branch  |  Website policy  Creative Commons License   |   PRIMe