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Federal
Per- and polyfluoroalkyl substances (PFAS) Interferents List 11 recent views
National Institute of Standards and Technology —
A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry. -
Federal
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
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... -
Federal
NIST Synthetic Polymer MALDI Methods Database
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... -
Federal
NIST DART-MS Forensics Database (is-CID)
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... -
Federal
Dataset from HDX-MS Studies of IgG1 Glycoforms and Their Interactions with the Fc(gamma)RIa (CD64) Receptor
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,... -
Federal
NIST/EPA Gas-Phase Infrared Database JCAMP Format - SRD 35
National Institute of Standards and Technology —
This data collection contains 5,228 infrared spectra of different compounds along with chemical structures for most of them. Spectra are provided on a CD-ROM in the... -
Federal
Construction of a Dual-enzyme, Subzero (-30 degree C) Chromatography System and Multi-channel Precision Temperature Controller for Hydrogen-Deuterium Exchange Mass Spectrometry
National Institute of Standards and Technology —
This tutorial provides mechanical drawings, electrical schematics, parts lists, STL files for 3D-printed parts, IGS files, and instructions for automated machining... -
Federal
Mass spectra of sulfonephthalein pH indicator dyes and their impurities
National Institute of Standards and Technology —
Sulfonephthalein pH indicator dyes have historically been noted for impurities originating from the synthesis process which lead to batch to batch differences in pH... -
Federal
Development of a Tool to Determine the Variability of Consensus Mass Spectra Supporting Data
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... -
Federal
NIST Atomic Weights and Isotopic Compositions with Relative Atomic Masses
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. -
Federal
NIST DART-MS Forensics Database (is-CID)
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... -
Federal
FCpy: Feldman-Cousins Confidence Interval Calculator
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... -
Federal
Supplemental Data and Source Code for ILSA Research
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... -
Federal
SRM 2969 Vitamin D Metabolites in Frozen Human Serum (Total 25-Hydroxyvitamin D Low Level) Data
National Institute of Standards and Technology —
SRM 2969 Electronic files containing certified values and their uncertainties, and the data used to assign those values -
Federal
Microplastic and nanoplastic chemical characterization by thermal desorption and pyrolysis mass spectrometry with unsupervised machine learning
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... -
Federal
MAM Consortium Interlaboratory Study Raw Data
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... -
Federal
SRM 2970 Vitamin D Metabolites in Frozen Human Serum (25-Hydroxyvitamin D2 High Level) Data
National Institute of Standards and Technology —
Electronic files containing certified values and their uncertainties, and the data used to assign those values. -
Federal
Raw data files that were used in writing "Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures" by Kelly H. Telu, Xinjian Yan, William E. Wallace, Stephen E. Stein and Yamil Simón-Manso, Published paper: DOI: 10.1002/rcm.7475
National Institute of Standards and Technology —
Liquid-chromatography-mass spectrometry (LC-MS) raw data sets from various instruments delivered in their native instrument format. 31 files in all. 7.5 GB data. -
Federal
NIST/EPA/NIH Mass Spectral Library with Search Program - SRD 1a
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. -
Federal
Database Infrastructure for Mass Spectrometry - Per- and Polyfluoroalkyl Substances
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...