MetaboLights

application/xml

ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13613/m_MTBLS13613_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13613/m_MTBLS13613_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13613/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13613/a_MTBLS13613_LC-MS_negative_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13613/s_MTBLS13613.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13613/a_MTBLS13613_LC-MS_positive_reverse-phase_metabolite_profiling.txtprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13613The substance identification process involves spectral library searching using databases such as the Human Metabolome Database (HMDB) (http://www.hmdb.ca), MassBank (http://www.massbank.jp/), LipidMaps (http://www.lipidmaps.org), mzCloud (https://www.mzcloud.org), KEGG (https://www.genome.jp/kegg/), and the in-house standard metabolite database developed by Nuomi Metabolomics.First, the molecular weight and adduct ions of metabolites are predicted based on the mass-to-charge ratio (m/z) of precursor ions in primary mass spectrometry (MS1). These predictions are then compared and matched against the databases.Simultaneously, metabolites with secondary mass spectrometry (MS2) spectra in the quantitative list are compared and matched with the fragment ion information of each MS2 spectrum in the databases. This two-step approach enables the secondary qualitative identification of metabolites.MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phaseThe LC analysis was performed on a Vanquish UHPLC System (Thermo Fisher Scientific, USA). Chromatography was carried out with an ACQUITY UPLC ® HSS T3 (2.1×100 mm, 1.8 µm) (Waters, Milford, MA, USA). The column maintained at 40 ℃. The flow rate and injection volume were set at 0.3 mL/min and 2 μL, respectively. For LC-ESI (+)-MS analysis, the mobile phases consisted of (B2) 0.1% formic acid in acetonitrile (v/v) and (A2) 0.1% formic acid in water (v/v). Separation was conducted under the following gradient: 0~1 min,10% B2;1~5 min,10%~98% B2;5~6.5 min,98% B2;6.5~6.6 min,98%~10% B2;6.6~8 min,10% B2. For LC-ESI (-)-MS analysis, the analytes was carried out with (B3) acetonitrile and (A3) ammonium formate (5mM). Separation was conducted under the following gradient: 0~1 min,10% B3;1~5 min,10%~98% B3;5~6.5 min,98% B3;6.5~6.6 min,98%~10% B3;6.6~8 min,10% B3.Metabolome analysis reveals the involvement of oxylipins in regulating the maturation of conchosporangia in Pyropia haitanensis. 10.1016/j.algal.2025.103933.Ningbo UniversityYujie Wangcell culturemass spectrometry assay1. Accurately weigh an appropriate amount of sample into a 2 mL centrifuge tube,add 100 mg glass bead; 2. Add 1000 µL 50% methanol water, vortex for 30 s; 3. Put the centrifuge tube containing the sample into the 2 mL adapter matched with the instrument, immerse it in liquid nitrogen for rapid freezing for 5 min, take out the centrifuge tube and thaw at room temperature, put the centrifuge tube into the 2 mL adapter again, install it into the tissue grinder and grind it at 55 Hz for 2 min; 4. Repeat step 3 twice; 5. Take out the centrifuge tube, centrifuge for 10 min at 12,000 rpm and 4℃, take all the supernatant, transfer it to a new 2 mL centrifuge tube, concentrate and dry it; 6. Accurately add 300 µL of 2-Amino-3-(2-chloro-phenyl)-propionic acid (4 ppm) solution prepared with 50% methanol water to redissolve the sample, filter the supernatant by 0.22 μm membrane and transfer into the detection bottle for LC-MS detection.  SulfitobacterAlteromonashttps://www.ebi.ac.uk/metabolights/MTBLS13613haimin Chen. Ningbo University. chenhaimin@nbu.edu.cn.Yujie Wang. Ningbo University. wyj06081005@163.com.The raw data were ffrstly converted to mzXML by MSConvert in ProteoWizard soffware package (v3.0.8789) [1] and processed using R XCMS(v3.12.0) [2] for feature detectton, retentton ttme correctton and alignment. Key parameters setttngs were set as follows: ppm=15, peakwidth=c(5, 30), mzdiff=0.01, method=centWave. Then, the data is corrected by the area normalizatton method to eliminate systemattc errors. The metabolites were identtffed by accuracy mass and MS/MS data which were matched with HMDB (http://www.hmdb.ca) [3] , massbank (http://www.massbank.jp/) [4] , LipidMaps (http://www.lipidmaps.org) [5] , mzcloud (https://www.mzcloud.org) [6] , KEGG (https://www.genome.jp/kegg/) [7] and the metabolite database bulid by Panomix Biomedical Tech Co., Ltd. (Shuzhou, China). The molecular weight of metabolites was determined according to the m/z (mass-to-charge ratto) of parent ions in MS data. Molecular formula was predicted by adduct ion, and then matched with the database. At the same ttme, the MS/MS data from quantttattve table of MS/MS data, were matched with the fragment ions and other informatton of each metabolite in the database, so as to realize the MS/MS identtffcatton of metabolites. Environment service typewyj06081005@163.comTwo bacterial strains, designated as ph and ms, were isolated from the surface of Porphyra (laver). Both strains were cultured in a shaker until they reached the logarithmic growth phase.For sample preparation:Centrifugation for cell pellets: A portion of the cultured bacterial broth was centrifuged to collect the cell pellets (precipitates).Filtration and filter membrane collection: Another portion of the cultured broth was filtered through a 0.22 μm cellulose membrane. The filter membrane was then placed in a plastic food container for drying, and the dried membrane was collected afterward.MetabolomicsMetabolomicsDesiccationmicrobiomeMetabolomicsDesiccationmicrobiomeMass spectrometric detection of metabolites was performed on Orbitrap Exploris 120 (Thermo Fisher Scientific, USA) with ESI ion source. Simultaneous MS1 and MS/MS (Full MS-ddMS2 mode, data-dependent MS/MS) acquisition was used. The parameters were as follows: sheath gas pressure, 40 arb; aux gas flow, 10 arb; spray voltage, 3.50 kV and -2.50 kV for ESI(+) and ESI(-), respectively; capillary temperature, 325 ℃; MS1 range, m/z 100-1000; MS1 resolving power, 60000 FWHM; number of data dependant scans per cycle, 4; MS/MS resolving power, 15000 FWHM; normalized collision energy, 30%; dynamic exclusion time, automatic.falseTidal filtering drives microbiome assembly and metabolic coupling in desiccation-tolerant red algae This study investigates how the intertidal red alga Pyropia haitanensis (Bangiophyceae) achieves rapid desiccation-rehydration tolerance through coordinated interactions between the host, its associated microbiome, and key metabolites. By integrating 16S rRNA amplicon sequencing, metagenomics, and physiological assays across natural tidal cycles, the research reveals dynamic restructuring of the algal microbiome during dehydration and rehydration. References:[1] Yi Liu , Haike Qian , Shanshan Zhu , Tingting Niu , Qijun Luo , Juanjuan Chen , Rui Yang , Peng Zhang , Tiegan Wang , Haimin Chen.Metabolome analysis reveals the involvement of oxylipins in regulating the maturation of conchosporangia in Pyropia haitanensis.Algal Research.86,2025,2025,103933,https://doi.org/10.1016/j.algal.2025.103933. 2026-05-072026-01-06MTBLS13613