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37 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

Hestia Fossil Fuel Carbon Dioxide Emissions Inventory for Urban Regions

Data provided by  National Institute of Standards and Technology

Hestia Fossil Fuel Carbon Dioxide Emissions Inventory for Urban Regions (Hestia FFCO2) provides data products for Los Angeles Basin, Northeast corridor, Indianapolis, and other U.S. Cities. Hestia FFCO2 datasets quantify greenhouse gases (GHG), such as carbon dioxide, emitted by urban regions, since cities are major contributors of anthropogenic GHG emissions. The Hestia FFCO2 datasets provide high spatial and temporal resolution CO2 concentrations at sub-county resolutions and annual/hourly time scales, specific to the region.

Tags: Greenhouse Gas,carbon dioxide,CO2,Urban Emissions,Carbon Monitoring,Atmospheric Modeling,Los Angeles Basin,Megacities,California,Indianapolis,Indiana,Baltimore,Maryland,Salt Lake City,Utah,Fossil Fuel,Bottom-up Inventory,

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

Thermodynamic Data from Unpublished Sources to Support the New Reference Equation of State for Carbon Dioxide

Data provided by  National Institute of Standards and Technology

During work on the new reference equation of state for carbon dioxide [A.H. Harvey, S.A. Tashkun, R. Hellmann, and E.W. Lemmon, J. Phys. Chem. Ref. Data, in preparation], we obtained unpublished data from several sources. These represent numerical values for data only presented graphically in a publication, or in some cases data not present in the publication at all. With the permission of the authors, we document and deposit these data here so they will be available for future workers.

Tags: CO2,carbon dioxide,thermodynamics,melting,heat capacity,sound speed,vapor pressure,virial coefficients,equation of state,

Modified: 2024-02-22

Views: 0

The effects of advanced spectral line shapes on atmospheric carbon dioxide retrievals

Data provided by  National Institute of Standards and Technology

This is the data presented in the figures of the paper "The effects of advanced spectral line shapes on atmospheric carbon dioxide retrievals" published in J. Quant. Spectrosc. Radiat. Transfer at https://doi.org/10.1016/j.jqsrt.2022.108324

Tags: greenhouse gases,carbon dioxide,remote sensing,

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