title: Combined LC-MS/MS and Molecular Networking Approach Reveals New Cyanotoxins from the 2014 Cyanobacterial Bloom in Green Lake, Seattle.
abstract: Cyanotoxins obtained from a freshwater cyanobacterial collection at Green Lake, Seattle during a cyanobacterial harmful algal bloom in the summer of 2014 were studied using a new approach based on molecular networking analysis of liquid chromatography tandem mass spectrometry (LC-MS/MS) data. This MS networking approach is particularly well-suited for the detection of new cyanotoxin variants and resulted in the discovery of three new cyclic peptides, namely microcystin-MhtyR (6), which comprised about half of the total microcystin content in the bloom, and ferintoic acids C (12) and D (13). Structure elucidation of 6 was aided by a new microscale methylation procedure. Metagenomic analysis of the bloom using the 16S-ITS rRNA region identified Microcystis aeruginosa as the predominant cyanobacterium in the sample. Fragments of the putative biosynthetic genes for the new cyanotoxins were also identified, and their sequences correlated to the structure of the isolated cyanotoxins.
authors.affiliation: The NeaNat Group, Dipartimento di Farmacia, Università degli Studi di Napoli Federico II , via D. Montesano 49, 80131 Napoli, Italy.
authors.forename: Roberta
authors.initials: R
authors.lastname: Teta
authors.affiliation: The NeaNat Group, Dipartimento di Farmacia, Università degli Studi di Napoli Federico II , via D. Montesano 49, 80131 Napoli, Italy.
authors.forename: Gerardo
authors.initials: G
authors.lastname: Della Sala
authors.affiliation: Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, and Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego , 9500 Gilman Drive, MC 0212, La Jolla, California 92093-0212, United States.
authors.forename: Evgenia
authors.initials: E
authors.lastname: Glukhov
authors.affiliation: Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, and Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego , 9500 Gilman Drive, MC 0212, La Jolla, California 92093-0212, United States.
authors.forename: Lena
authors.initials: L
authors.lastname: Gerwick
authors.affiliation: Center for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, and Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego , 9500 Gilman Drive, MC 0212, La Jolla, California 92093-0212, United States.
authors.forename: William H
authors.initials: WH
authors.lastname: Gerwick
authors.affiliation: The NeaNat Group, Dipartimento di Farmacia, Università degli Studi di Napoli Federico II , via D. Montesano 49, 80131 Napoli, Italy.
authors.forename: Alfonso
authors.initials: A
authors.lastname: Mangoni
authors.affiliation: The NeaNat Group, Dipartimento di Farmacia, Università degli Studi di Napoli Federico II , via D. Montesano 49, 80131 Napoli, Italy.
authors.forename: Valeria
authors.initials: V
authors.lastname: Costantino
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D000458:Cyanobacteria / Q000737:chemistry*; D057097:Harmful Algal Bloom; D060106:Lakes / Q000032:analysis / Q000737:chemistry*; D054892:Metagenome; D008745:Methylation; D052998:Microcystins / Q000032:analysis* / Q000737:chemistry; D046931:Microcystis / Q000737:chemistry*; D012335:RNA, Ribosomal / Q000235:genetics; D012015:Reference Standards; D013438:Sulfhydryl Compounds / Q000737:chemistry; D053719:Tandem Mass Spectrometry / Q000379:methods*; D014861:Washington
chemical_list: D052998:Microcystins; D012335:RNA, Ribosomal; D013438:Sulfhydryl Compounds; C078588:microcystin