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29 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

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

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

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

NIST Atomic Weights and Isotopic Compositions with Relative Atomic Masses

Data provided by  National Institute of Standards and Technology

The atomic weights are available for elements 1 through 118 and isotopic compositions or abundances are given when appropriate. Version 3.0.

Tags: Commission on Atomic Weights and Isotopic Abundances,International Union for Pure and Applied Chemistry,SIAM,atomic mass evaluation,Atomic Weights,Elemental Data,elements,mass spectrometry,measurements,physics,relative atomic masses,representative isotopic compositions,statistical evaluation of isotopic abundances,subcommittee for isotopic abundance,

Modified: 2022-07-29

Views: 0

NIST Synthetic Polymer MALDI Methods Database

Data provided by  National Institute of Standards and Technology

This resource consists of methods for matrix-assisted laser desorption ionization (MALDI) mass spectrometry on a wide variety of synthetic polymers. The methods are taken from the peer-review scientific literature. The database covers the period from 1988, the year of Tanaka's first paper on the subject, through 2011. Each recipe comes with a literature citation and associated digital object identifier (DOI) when available. The database currently contains entries for over 1250 polymer/matrix combinations.

Tags: MALDI,mass spectrometry,polymers,

Modified: 2022-07-29

Views: 0

NIST/EPA/NIH Mass Spectral Library with Search Program - SRD 1a

Data provided by  National Institute of Standards and Technology

This database is the product of a multi-year, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.

Tags: HAPS,chemical analysis,chemical structures,gas chromatography,hazardous air pollutants,mass spectra,mass spectrometry,masses,physics,spectra,structural data,structures,

Modified: 2022-07-29

Views: 0