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34 results found

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: 2022-07-29

Views: 0

Comparison of primary laser spectroscopy and mass spectrometry methods for measuring mass concentration of gaseous elemental mercury

Data provided by  National Institute of Standards and Technology

Data for mass concentration analysis and spectral analysis for the paper titled, "Comparison of primary laser spectroscopy and mass spectrometry methods for measuring mass concentration of gaseous elemental mercury"

Tags: mercury,laser absorption spectroscopy,Standard Generator,SI traceability,ID-CV-ICP-MS,primary measurement method,Environment and Climate,

Modified: 2022-07-29

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: 2022-07-29

Views: 0

Albatross Species Chemical Database and Annotated Bibliography

Data provided by  National Institute of Standards and Technology

Database and annotated bibliography of contaminants in tissues from albatross (Family Diomedeidae) species. Database is saved as current Microsoft Access 365 .accdb file and a backward compatible to Access 2000 .mdb file and a Microsoft Excel .xlsx file which has the database output information, introduction with description of headers, and some derived data. A free viewer for Excel is at: https://www.microsoft.com/en-us/p/xlsx-viewer-free/9nblggh6hbf4?activet….

Tags: seabird,tissues,PAHs,PBDEs,PCBs,PCDDs,PCDF,perflourinated acids,phenols,toxicology pesticides,mercury,trace elements,heavy metals,organic,inorganic,chemistry,stable isotopes,Environment and Climate,

Modified: 2022-07-29

Views: 0

NIST DART-MS Forensics Database (is-CID)

Data provided by  National Institute of Standards and Technology

The NIST DART-MS Forensics Database is an evaluated collection of in-source collisionally-induced dissociation (is-CID) mass spectra of compounds of interest to the forensics community (e.g. seized drugs, cutting agents, etc.). The is-CID mass spectra were collected using Direct Analysis in Real-Time (DART) Mass Spectrometry (MS), either by NIST scientists or by contributing agencies noted per compound. The database is provided as a general-purpose structure data file (.SDF).

Tags: Standard reference data,mass spectra,Ion Fragmentation,mass spectrometry,NIST Mass Spectral Libraries,Chemical Identification,Biosciences and Health,Security and Forensics,

Modified: 2022-07-29

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: 2022-07-29

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: 2022-07-29

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: 2022-07-29

Views: 0

Data Supporting "Seabird Tissue Archival and Monitoring Project (STAMP) Data from 1999-2010"

Data provided by  National Institute of Standards and Technology

Here we provide curated analytical chemistry data for eggs collected from 1999 to 2010 on a subset of species and analytes that were measured regularly and reasonably systematically. Included in this publication are 487 samples analyzed for 174 ubiquitous environmental contaminants such as (poly)brominated diphenyl ethers (BDEs), mercury, organochlorine pesticides (OCPs), and polychlorinated biphenyls (PCBs). Data were collated to form a dataset useful in chemometric and related analyses of the marine ecosystem in the north Pacific Ocean.

Tags: NIST Biorepository,eggs,tissues,BDEs,PBDEs,PCBs,Pesticides,mercury,trace elements,heavy metals,organic,inorganic,chemistry,stable isotopes,genetics,Environment and Climate,chemometric,machine learning,ML,seabird,bird,Pacific Ocean,

Modified: 2022-07-29

Views: 0

Hydrogen-Deuterium Exchange Mass Spectrometry (HDX-MS) Centroid Data measured between 3.6 degrees C and 25.4 degrees C for the Fab Fragment of NISTmAb

Data provided by  National Institute of Standards and Technology

The spreadsheet file reported herein provides centroid data, descriptive of deuterium uptake, for the Fab Fragment of NISTmAb (PDB: 5K8A) reference material, as measured by the bottom-up hydrogen-deuterium exchange mass spectrometry (HDX-MS) method. The protein sample was incubated in deuterium-rich solutions under uniform pH and salt concentrations between 3.6 degrees C and 25.4 degrees C for seven intervals ranging (0 to 14,400) s plus a control sample that simulates a Fab Fragment immersed for infinite time in D2O.

Tags: hydrogen-deuterium exchange,hydrogen exchange,HDX-MS,interlaboratory comparison,mass spectrometry,peptide,precision,proteomics,reference material,repeatability,reproducibility,

Modified: 2022-07-29

Views: 0