title: Rapid screening and characterization of metabolites from a marine-derived actinomycete by high-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry.
abstract: A rapid and reliable method has been optimized and established for the analysis of the metabolites from a marine actinomycete by high-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (HPLC/QTOF MS/MS). From MS/MS spectra, the product ions of [M + H](+) were recorded to provide abundant structural information of the mother nucleus and peptide moieties. Using the QTOF MS/MS and in-source collision-induced dissociation (in-source CID) techniques, three main metabolites including actinomycin D, actinomycin V and actinomycin I were determined and characterized by elemental compositions of precursor and product ions (<7 ppm). Additionally, this method provided information about the compositions of the peptide residues and the sequences of the amino acid from a series of fragment ions. It proved useful for the identiﬁcation of the metabolites in marine samples which have similar structures especially when there were no reference compounds available.
authors.affiliation: School of Life Science and Technology, China Pharmaceutical University, Nanjing, Jiangsu 210009, China.
authors.forename: Cheng-Wei
authors.initials: CW
authors.lastname: Liu
authors.forename: Yuan-Yuan
authors.initials: YY
authors.lastname: Lu
authors.forename: Zhen-Zheng
authors.initials: ZZ
authors.lastname: Yang
authors.forename: Ying-Ying
authors.initials: YY
authors.lastname: Xing
authors.forename: Tao
authors.initials: T
authors.lastname: Xi
mesh_terms: D039903:Actinobacteria / Q000737:chemistry* / Q000302:isolation & purification / Q000378:metabolism*; D000903:Antibiotics, Antineoplastic / Q000737:chemistry* / Q000378:metabolism; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D003609:Dactinomycin / Q000031:analogs & derivatives / Q000737:chemistry* / Q000378:metabolism; D056945:Hep G2 Cells; D006801:Humans; D015394:Molecular Structure; D012623:Seawater / Q000382:microbiology*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D000903:Antibiotics, Antineoplastic; D003609:Dactinomycin