GNPSapplication/xmlftp://massive-ftp.ucsd.edu/v03/MSV000086394/primaryOK2001000MetabolomicsAkira KawamuraAgilent iFunnel 6550 Q-ToF LC/MS SystemAgropyron Cristatum (ncbitaxon:4593)Bacterial Community Associated With Wheatgrasshttps://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=dfa7335145df495182bf5ad968e26ae3akawamura@hunter.cuny.eduHunter CollegeGNPS886MS:1002864 - No post-translational-modifications are included in the identified peptides of this datasetMicrobes use signaling factors for intraspecies and interspecies communications. While many intraspecies signaling factors have been found and characterized, discovery of factors for interspecies communication is lagging behind. To facilitate the discovery of such factors, we explored the potential of a mixed microbial culture (MMC) derived from wheatgrass, in which heterogeneity of this microbial community might elicit signaling factors for interspecies communication. The stability of Wheatgrass MMC in terms of community structure and metabolic output was first characterized by 16S ribosomal RNA amplicon sequencing and liquid chromatography/mass spectrometry (LC/MS), respectively. In addition, detailed MS analyses led to the identification of 12-hydroxystearic acid (12-HSA) as one of the major metabolites produced by Wheatgrass MMC. Stereochemical analysis revealed that Wheatgrass MMC produces mostly the (R)-isomer, although a small amount of the (S)-isomer was also observed. Furthermore, 12-HSA was found to modulate planktonic growth and biofilm formation of various marine bacterial strains. The current study suggests that naturally derived MMCs could serve as a simple and reproducible platform to discover potential signaling factors for interspecies communication. In addition, the study indicates that hydroxylated long-chain fatty acids, such as 12-HSA, may constitute a new class of interspecies signaling factors.Uncovering potential interspecies signaling factors in plant-derived mixed microbial culture.Domzalski Alison A, Perez Susan D SD, Yoo Barney B, Velasquez Alexandria A, Vigo Valeria V, Pasolli Hilda Amalia HA, Oldham Athenia L AL, Henderson Douglas P DP, Kawamura Akira A1falseGNPS - Metabolic output from Wheatgrass Mixed Microbial CultureThis dataset contains .mzml and .d files from a time-course study to assess the metabolic stability of control and wheatgrass-associated mixed microbial cultures (MMCs). The metadata file is also included. Instrument settings: Agilent Eclipse C18 column, 1.8 um, 2.1 x 50 mm. Method: Solvent A, water with 0.1% formic acid, solvent B, acetonitrile with 0.1% formic acid; gradient of 2-98% acetonitrile in 18 min; flow rate of 0.4 mL/min; column temperature at 30C. MS/MS settings: MS scan range 100-1200 m/z, where two most abundant precursors selected for MS/MS (range 50-800); collision energy of 50 eV (positive mode).Sat Oct 31 15:32:00 GMT 2020MSV00008639434119697