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LC-Q-TOF-MS/MS data of phyllobilins in apples cv. 'Gala'
<p>The data contains:</p> <p>- Data-dependent Inclusion List (ex professo) and Figures</p> <p>- Tables containing base peak chromatograms (BPCs) and All MS data, tables containing extracted ion chromatograms (EICs)</p> <p>- Chromatograms BPC + All MS and EIC (Bruker mass spectrometer files)</p>
LC-Q-TOF-MS/MS data of phyllobilins in apple peels cv. 'Gala'
<p>The data contains:</p> <p><strong>(1) Table DR1:</strong> data-dependent inclusion list (IL) <em>ex professo</em></p> <p><strong>(2) Figures DR1 + DR2:</strong> generalized constitutional PB formula and constitutional formula of a specific PB example (NCC-1002)</p> <p><strong>(3) Tables DR2 to DR16:</strong> base peak chromatograms (BPCs) of all peaks detected</p> <p>(<strong>4) Tables DR17 to DR31</strong>: extracted ion chromatograms (EICs) of all PBs detected</p> <p><strong>(5) Chromatograms BPC + All MS and EIC of PBs</strong> (15 Bruker mass spectrometer files)</p>
Lactobacillus johnsonii N6.2 total lipid and fractionated lipids profiling by qualitative lipidomic LC-MS/MS analysis
<p>Table presents both MS-1 (precursor mass-matched) and MS-2 (precursor mass- and spectral-matched) annotations. The values in the table represent the peak area. The column labels, RT: retention time; m/z: mass-to-charge ratio; SL (simple lipids), GL (glycolipids), and PL (phospholipids) represent lipid fractions and TL: total lipids. Table is provided as an xlsx file.</p>
Datasets for: Inactivation mechanisms of Influenza A virus under pH conditions encountered in aerosol particles as revealed by whole-virus HDX-MS.
<p>Datasets associated with the publication '<strong>Inactivation mechanisms of Influenza A virus under pH conditions encountered in aerosol particles as revealed by whole-virus HDX-MS</strong>', published by mSphere [DOI: <a href="http://dx.doi.org/10.1128/msphere.00226-23">10.1128/msphere.00226-23</a>]</p> <p>Data included here encompasses infectivity (IAV and VSV), RT-qPCR , and HDX-MS datasets. </p> <p>The raw mass spectrometry proteomics data have been deposited to the ProteomeXchange Consortium via the PRIDE partner repository with the dataset identifier PXD037176.</p>
Aligned peaks for the FT-ICR MS spectra of SRNOM and ELDOM
<p>These spreadsheets contain the aligned peaks for the FT-ICR MS spectra of SRNOM and ELDOM, which are attached to the manuscript submitted to Journal of the American Society for Mass Spectrometry (Manuscript ID: js-2023-002084).</p>
LC-MS results for unconjugated antibody (Atezolizumab (AtZ)) , pemetrexed-PEG-Atezolizumab (PemPEG-AtZ conjugate), and pemetrexed-GABA-Atezolizumab (PemGABA-AtZ conjugate)
<p>This data represent the figures of LC-MS results for unconjugated antibody (Atezolizumab (AtZ)) , pemetrexed-PEG-Atezolizumab (PemPEG-AtZ conjugate), and pemetrexed-GABA-Atezolizumab (PemGABA-AtZ conjugate)</p>
Fig. 7 in The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
Fig. 7. Multivariate data analysis (MVDA) of fresh and dried Peruvian ginger samples. A. Principal component analysis (PCA) showed clear separation of fresh and dried ginger samples. B. Orthogonal projections to latent structures discriminant analysis (OPLS-DA) showed clear separation of fresh and dried ginger samples. C. Splot of OPLS-DA. D. VIP scores based on the metabolite data from fresh and dry ginger extracts.
Fig. 9 in The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
Fig. 9. [6]-Gingerol (A) and [6]-shogaol (B) contents in μg/g fresh weight (μg/ g FW) among the tested fresh ginger samples using different extraction solvents. Error bars indicate mean ± SE for five replicates. Black asterisks indicate significance difference from the Peruvian samples (*P <0.05, Student's t-test).
Fig. 5 in The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
Fig. 5. The influence of geographical distribution of ginger on the gingerols and gingerol-related metabolites. The figure also describes the biosynthetic pathway of [6]-gingerol and hexahydrocurcumin and subsequent transformations. The opposed abundances of the precursors (i.e., phenylalanine and cinnamic acid) and end products (i.e., [6]-gingerol, hexahydrocurcumin, and gingerenone A and B) hypothesize that they have the same biosynthetic pathway.
Fig. 3 in The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
Fig. 3. The use of retention time, accurate mass, and co-elution pattern for compound validation. A. Total ion chromatogram (TIC) and extracted ion chromatograms (EIC) of [6]-gingerol measured by UPLC/MS in positive and negative ionization modes. B. Different gingerols within the same class show a retention time pattern according to their chain length. Intra-class variability is shown by XIC in positive ionization mode for the 6, 8 and 10-gingerol. C. Scatter plot representation of different gingerols annotated from the tested samples. The m/z of the loss of water from the protonated adducts is given on the x-axis and the observed RT (min) is given in the y-axis. The plot illustrates how the correlation between elution (RT) and chain length in the annotated gingerols can be used for the prediction of other compounds within the same class.
Fig. 4 in The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
Fig. 4. Multivariate data analysis (MVDA) of fresh Ginger samples collected from different localities. A. Principal component analysis (PCA) showed clear separation of geographically different fresh ginger samples. B. VIP scores showing the top 25 metabolites discriminating ginger samples C. Dendrogram of the investigated fresh ginger samples based on the metabolites obtained after MS data analysis.
Fig. 2 in The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
Fig. 2. Schematic diagram showing the steps for confident compound identification. The feature with the retention time of 12.94 min and 295.191 m/z, representing 6-gingerol was selected. Total ion chromatogram (TIC) and extracted ion chromatograms (EIC) were measured by UPLC/MS in the positive ionization mode.
Fig. 1 in The integration of MS-based metabolomics and multivariate data analysis allows for improved quality assessment of Zingiber officinale Roscoe
Fig. 1. Experimental design for metabolic profiling of fresh ginger rhizomes collected from different geographical sources and the effect of drying.
Tooth enamel nLC-MS dataset for: Unbalanced sex-ratio in the Neolithic individuals from the Escoural Cave (Montemor-o-Novo, Portugal) revealed by peptide analysis
<p>nLC-MS .raw data of tooth enamel samples from archaeological human remains. </p> <p>The dataset is related to the publication of Granja et al. </p>
Supplementary Table 1. Identification of protein bands content by LC-MS/MS from fractions obtained from B. arietans venom after size exclusion chromatography.
<p>FG1 to FG6 were cut from the gel and subjected to in-gel digestion with trypsin. Analysis was performed using an Easy-nLC Proxeon nanoHPLC system coupled to an LTQ-Orbitrap Velos. The results obtained were compared with the “<em>Bitis</em>” and “Snakes” database downloaded from Uniprot (Taxid: 8570).</p>
Repackaged Full ITIS Data Set (MS SQL Server)
<p>Retrieved 07 August 2023, from the Integrated Taxonomic Information System (ITIS) (http://www.itis.gov). via https://www.itis.gov/downloads/itisMSSql.zip</p> <p>The original zip file is included in this data publication.</p> <p>itisMSSql.zip - file downloaded from https://www.itis.gov/downloads/itisMSSql.zip on 07 August 2023</p>
Fig. 3 in Metabolic fingerprinting of Ganoderma spp. using UHPLC-ESI-QTOF-MS and its chemometric analysis
Fig. 3. Structures of five isomeric compounds with the molecular formula C30H42O7 and molecular mass 514.2931 found in the G44 sample.
Fig. 2 in Metabolic fingerprinting of Ganoderma spp. using UHPLC-ESI-QTOF-MS and its chemometric analysis
Fig. 2. General chemical structure of a typical triterpene showing the position of various side chains and list of side chains typically found in Ganoderma.
Fig. 1 in Metabolic fingerprinting of Ganoderma spp. using UHPLC-ESI-QTOF-MS and its chemometric analysis
Fig. 1. (a) Total ion chromatogram of G44 mushroom extract in ESI negative mode (b) Extracted ion chromatogram (EIC) of G44 mushroom extract in ESI negative mode.
Isolation, identification, and structure elucidation of Beta-sitosterol from Iraqi Plantago major using GC-MS, HPTLC, NMR, and FTIR
<p><strong>Isolation, identification, and structure elucidation of Beta-sitosterol from Iraqi <em>Plantago major</em></strong> <strong>using GC-MS, HPTLC, NMR, and FTIR</strong></p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.