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43 results for “LC-MS/MS”
Fig. 4 in Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS/MS data analysis workflow
Fig. 4. Discrimination of the analyzed Alnus extracts into chemogroups. The analyzed extracts can be discriminated into three chemogroups by visualizing the CSCS distance metric between samples as PCoA plot (A) and chemical dendrogram (B). On the other hand, conventional methods such as PCA score plot (C) or hierarchical clustering analysis (HCA) using the Euclidean distance (D; chemogroups 1–3 are visualized with same colors used in B to make it easy to be compared) could not discriminate the samples into the same chemotypes. By mapping the chemogrouping of samples on the molecular network, it could be visualized that the three chemogroups were rich in diarylheptanoid, flavonoid, and tannins, respectively (E). (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Fig. 3 in Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS/MS data analysis workflow
Fig. 3. MS2LDA-driven substructural annotation of diarylheptanoids of Alnus species. Integrated with GNPS library matching and NAP in silico annotation, diarylheptanoid-related Mass2Motifs 41, 49, 72, and 81 could be characterized and correlated with specific substructures of diarylheptanoid aglycones. Scaffold diversity within diarylheptanoid molecular families A, D, and I were revealed by mapping these Mass2Motifs on the molecular network with different colors. (For interpretation of the references to color in this figure legend, the reader is referred to the Web version of this article.)
Fig. 1 in Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS/MS data analysis workflow
Fig. 1. LC–MS base peak ion (BPI) chromatograms of 15 Alnus extracts. Gaps between chromatogram were added to visualize their difference, so y-axis values do not equal to the absolute intensities.
Fig. 2 in Assessing specialized metabolite diversity of Alnus species by a digitized LC-MS/MS data analysis workflow
Fig. 2. The MS/MS spectral network of specialized metabolites contained in the bark, twigs, leaves, and fruits of A. japonica, A. firma, A. hirsuta, and A. hirsuta var. sibirica. Spectral nodes are colored according to the mean precursor ion intensity per different plant parts: bark, twigs, leaves, and fruits. Molecular families A–I are highlighted.
The New LC-MS/MS Method for Determination of Unbound Tacrolimus in Plasma
ClinicalTrials.gov study NCT04657562. IPD Sharing: YES. Countries: 1. Publications: 24.
Data from: Novel insights into relationships between egg corticosterone and timing of breeding revealed by LC-MS/MS
Open the record for dataset details and reuse information.
Data from: A highly sensitive LC-MS/MS method to determine novel Bruton's tyrosine kinase inhibitor spebrutinib: application to metabolic stability evaluation
Spebrutinib (SBT) is a Bruton's tyrosine kinase inhibitor. SBT is currently in phase II and phase I clinical trials for the management of rheumatoid arthritis and chronic lymphocytic leukaemia, respectively. We developed and validated a liquid chromatography tandem mass spectrometry analytical method to quantify SBT and investigate its metabolic stability. SBT and the naquotinib as internal standard were isocratically eluted on a C18 column. The linearity of the developed method is 5-500 ng/mL (r2≥ 0.9999) in the human liver microsomes (HLMs) matrix. Good sensitivity was approved by the very low limit of detection (0.39 ng/mL). Inter- and intra- assay accuracy values of -1.41 to 12.44 and precision values of 0.71 to 4.78%, were obtained. SBT was found to have an in vitro half-life (82.52 min) and intrinsic clearance (8.4 µL/min/mg) as computed following its incubation with HLMs. The latter finding, hypothesize that SBT could be deliberately expelled from the body unlike other related tyrosine kinase inhibitors. So, drug plasma level and kidney function should be monitored because of potential bioaccumulation. To the best of our knowledge, this is considered the first analytical method for SBT quantification using LC-MS/MS with application to metabolic stability evaluation.
Enzymatic, LC-MS/MS, crystallography and SAXS data of AKR1B1
<p>Enzymatic, mass spectrometry, crystallography and SAXS data of AKR1B1</p>
Orbitrap LC-MS/MS data for phage nucleosides
<p>These are files containing LC-MS/MS data for phage T4 and phage SPO1 nucleosides. Phage SPO1 data are in files prefixed ORB59709, and T4 data are in files prefixed with ORB59710. The .RAW files are Thermo .raw files obtained after tandem mass spectrometry, and were converted to .mgf format using MSConvert 3.0.22031 (a component of the Proteowizard open source mass spectrometry bioinformatics software package) under generic default presets for .mgf file extraction.</p> <p>Also included are our mass and charge lists for known nucleosides, known charged adducts, and known neutral adducts.</p> <p>File list: </p> <p>ORB59709.RAW = Raw SPO1 data<br> ORB59709.mgf = Processed SPO1 data<br> ORB59710.RAW = Raw T4 data<br> ORB59710.mgf = Processed T4 data</p> <p>Mass_lists_Nucleosides.csv = Masses and charges of known nucleosides<br> Mass_lists_Charged_adducts.csv = Masses and charges of common charged adducts<br> Mass_lists_Neutral_adducts.csv = Masses of common neutral adducts</p> <p> </p>
LC-MS/MS 25(OH)D Status in a Large Cohort
ClinicalTrials.gov study NCT03388203. IPD Sharing: NO. Countries: 0. Publications: 7.
Data from: A highly sensitive LC-MS/MS method to determine novel Bruton's tyrosine kinase inhibitor spebrutinib: application to metabolic stability evaluation
Open the record for dataset details and reuse information.
Figure 4 from: Logoyda L, Piponski M, Kovalenko S, Dutchak O, Denefil O, Soroka Y, Pidruchna S, Popovych D, Susla O (2021) Method development for the quantitative determination of captopril from Caco-2 cell monolayers by using LC-MS/MS. Pharmacia 68(1): 61-67. https://doi.org/10.3897/pharmacia.68.e52077
Figure 4 The calibration curve of captopril.
Figure 3 from: Logoyda L, Piponski M, Kovalenko S, Dutchak O, Denefil O, Soroka Y, Pidruchna S, Popovych D, Susla O (2021) Method development for the quantitative determination of captopril from Caco-2 cell monolayers by using LC-MS/MS. Pharmacia 68(1): 61-67. https://doi.org/10.3897/pharmacia.68.e52077
Figure 3 Typical multiple reaction monitoring chromatograms of captopril.
Figure 2 from: Logoyda L, Piponski M, Kovalenko S, Dutchak O, Denefil O, Soroka Y, Pidruchna S, Popovych D, Susla O (2021) Method development for the quantitative determination of captopril from Caco-2 cell monolayers by using LC-MS/MS. Pharmacia 68(1): 61-67. https://doi.org/10.3897/pharmacia.68.e52077
Figure 2 Gradient curve.
Figure 1 from: Logoyda L, Piponski M, Kovalenko S, Dutchak O, Denefil O, Soroka Y, Pidruchna S, Popovych D, Susla O (2021) Method development for the quantitative determination of captopril from Caco-2 cell monolayers by using LC-MS/MS. Pharmacia 68(1): 61-67. https://doi.org/10.3897/pharmacia.68.e52077
Figure 1 Chemical structure of captopril.
Serum Estradiol (E2) Levels in Breast Cancer Patients During Endocrine Therapy by High Performance Liquid Chromatography-tandem Mass Spectrometry (LC-MS /MS)
ClinicalTrials.gov study NCT06195202. IPD Sharing: UNDECIDED. Countries: 1. Publications: 0.
The Development of a Screening Assay by LC-MS/MS to Monitor Adherence to Asthma Treatment
ClinicalTrials.gov study NCT03460106. IPD Sharing: NO. Countries: 1. Publications: 0.
LC-MS/MS Based Method Development for the Monitoring of Antibiotic Concentrations in Sputum of Cystic Fibrosis Patients
ClinicalTrials.gov study NCT02840136. IPD Sharing: YES. Countries: 1. Publications: 0.
Prostate Cancer REsearch Using Cross-validation of Innovative Sampling, Integrating LC-MS/MS for Optimized Therapeutic Drug moNitoring
ClinicalTrials.gov study NCT07344363. IPD Sharing: Not stated. Countries: 1. Publications: 0.
Determining Paediatric Usual Values for Hormones Dosages by LC-MS/MS
ClinicalTrials.gov study NCT06694415. IPD Sharing: UNDECIDED. Countries: 1. Publications: 0.
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Allen Brain Atlas
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DANDI Archive for NWB datasets
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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.