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38 results found

Per- and polyfluoroalkyl substances (PFAS) Interferents List

Data provided by  National Institute of Standards and Technology

A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.

Tags: per- and polyfluoroalkyl substances,PFAS,mass spectrometry,analytical chemistry,high-resolution mass spectrometry,HRMS,LC-MS/MS,

Modified: 2024-02-22

Views: 0

Database Infrastructure for Mass Spectrometry - Per- and Polyfluoroalkyl Substances

Data provided by  National Institute of Standards and Technology

Data here contain and describe an open-source structured query language (SQLite) portable database containing high resolution mass spectrometry data (MS1 and MS2) for per- and polyfluorinated alykl substances (PFAS) and associated metadata regarding their measurement techniques, quality assurance metrics, and the samples from which they were produced. These data are stored in a format adhering to the Database Infrastructure for Mass Spectrometry (DIMSpec) project. That project produces and uses databases like this one, providing a complete toolkit for non-targeted analysis.

Tags: per- and polyfluoroalkyl substances,PFAS,database,mass spectrometry,SQLite,emerging contaminants,high resolution mass spectrometry,non-targeted analysis,NTA,HRMS,

Modified: 2024-02-22

Views: 0

Microplastic and nanoplastic chemical characterization by thermal desorption and pyrolysis mass spectrometry with unsupervised machine learning

Data provided by  National Institute of Standards and Technology

This data publication contains the mass spectrometry chemical characterization of microplastic and nanoplastic chemical analysis. The data from this study includes mass spectra of pure, mixed, and weathered microplastics and nanoplastics at high and low fragmentation, extracted ion chronograms, Kendrick mass defect plots, code, and the derived and processed data. The data analysis code (MATLAB 2022a*) used for unsupervised learning of cluster and compositional relationships is also included.

Tags: Microplastic,Nanoplastics,environment,mass spectrometry,GC-MS,Chemical Characterization,machine learning,

Modified: 2024-02-22

Views: 0

FCpy: Feldman-Cousins Confidence Interval Calculator

Data provided by  National Institute of Standards and Technology

Python scripts and Python+Qt graphical user interface for calculating Feldman-Cousins confidence intervals for low-count Poisson processes in the presence of a known background and for Gaussian processes with a physical lower limit of 0.

Tags: python,SIMS,statistics,mass spectrometry,Confidence Interval,CI,Feldman,Cousins,Poisson,Gaussian,

Modified: 2024-02-22

Views: 0

Supplemental Data and Source Code for ILSA Research

Data provided by  National Institute of Standards and Technology

Source code associated with the Inverted Library Search Algorithm (ILSA) for identifying mixture components using is-CID mass spectra. This source code is frozen to accompany the manuscript titled "Updates to the Inverted Library Search Algorithm for mixture analysis" by Moorthy et. al.

Tags: mass spectrometry,Mixture Analysis,Search Algorithms,seized drug analysis,

Modified: 2024-02-22

Views: 0

MAM Consortium Interlaboratory Study Raw Data

Data provided by  National Institute of Standards and Technology

These LC-MS and LC-MS/MS raw data were collected for purposes of an interlaboratory study evaluating the multi-attribute method (MAM). Tryptic digests of native NISTmAb (the "Reference" and the "Unknown" samples), degraded NISTmAb (the "pH Stress" sample) and NISTmAb spiked with 15 heavy-labeled synthetic peptides (the "Spike" sample) were sent to each participating laboratory. One injection of each digest was acquired in MS-only mode, while a second injection was acquired in MS/MS mode.

Tags: attribute analytics,interlaboratory study,multi-attribute method,MAM Consortium,mass spectrometry,new peak detection,NPD,purity testing,round robin,targeted analytics,NISTmAb,

Modified: 2024-02-22

Views: 0

SRM 2969 Vitamin D Metabolites in Frozen Human Serum (Total 25-Hydroxyvitamin D Low Level) Data

Data provided by  National Institute of Standards and Technology

SRM 2969 Electronic files containing certified values and their uncertainties, and the data used to assign those values

Tags: vitamin D,25-hydroxyvitamin D,serum,mass spectrometry,

Modified: 2024-02-22

Views: 0

SRM 2970 Vitamin D Metabolites in Frozen Human Serum (25-Hydroxyvitamin D2 High Level) Data

Data provided by  National Institute of Standards and Technology

Electronic files containing certified values and their uncertainties, and the data used to assign those values.

Tags: vitamin D,25-hydroxyvitamin D,serum,mass spectrometry,

Modified: 2024-02-22

Views: 0

Development of a Tool to Determine the Variability of Consensus Mass Spectra Supporting Data

Data provided by  National Institute of Standards and Technology

Supporting datasets and algorithms (R-based) for the manuscript entitled "Development of a Tool to Determine the Variability of Consensus Mass Spectra", including an R Markdown script to reproduce the manuscript's figures.

Tags: mass spectrometry,uncertainty analysis,per- and polyfluoroalkyl substances,PFAS,reference mass spectrum,

Modified: 2024-02-22

Views: 0

Dataset from HDX-MS Studies of IgG1 Glycoforms and Their Interactions with the Fc(gamma)RIa (CD64) Receptor

Data provided by  National Institute of Standards and Technology

This database gives hydrogen-deuterium exchange mass spectrometry (HDX-MS) data from measurements of three purified IgG1 glycoform samples, predominantly G0F, G2F, and SAF, in isolation and in complexation with the high-affinity receptor, Fc(gamma)RIa (CD64). The IgG1 antibody used in this study, aIL8hFc, is a murine-human chimeric IgG1, which inhibits IL-8 binding to human neutrophils.

Tags: antibody-receptor interaction,chromatography,HDX-MS,hydrogen-deuterium exchange,glycosylation,mass spectrometry,monoclonal antibody,precision,peptide,protein,proteolysis,proteomics,receptor.,

Modified: 2024-02-22

Views: 0