Methyl tanshinonate; MS2; QIT; M+H; 45%

2006.5.19 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM002019
RECORD_TITLE Methyl tanshinonate; MS2; QIT; M+H; 45%
DATE 2006.5.19
PUBLICATION Yang M, Liu A, Guan S, Sun J, Xu M, Guo D.;Rapid Communications in Mass Spectrometry;2006;20(8):1266-80.
PUBLICATION PUBMED 16548051 LinkIcon
AUTHORS Yang M, et al.
COMMENTS interpretasion of fragment patterns, MSn spectra
COMMENTS 753
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Methyl tanshinonate
CH$ COMPOUND_CLASS Terpenoid
CH$ COMPOUND_CLASS Diterpenoid
CH$ COMPOUND_CLASS Tanshinonate
CH$ LINK CAS 18887-19-9
CH$ FORMULA C20H18O5
CH$ EXACT_MASS 338.12
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT CH3CN/H2O/HCOOH
AC$ ANALYTICAL_CONDITION MS_TYPE QIT
AC$ ANALYTICAL_CONDITION MODEL LCQ
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 45%
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE positive
SP$ SAMPLE Salvia miltiorrhiza
MS$ FOCUSED_ION ION_TYPE M+H
MS$ FOCUSED_ION PRECURSOR_M/Z 339
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
311
0
4
279
0
100
261
0
15

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