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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/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
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
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
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
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
Supporting Information for Per- and Polyfluoroalkyl Substances - Non-Targeted Analysis Interlaboratory Study Final Report
National Institute of Standards and Technology —
Supporting information for the NIST Internal Report entitled: Per- and Polyfluoroalkyl Substances - Non-Targeted Analysis Interlaboratory Study Final Report. The... -
Federal
Salton Sea Fluid Inclusion Gas Analysis
Department of Energy —
Fluid inclusion gas analysis for wells in Salton Sea geothermal area, California. Analyses used in developing fluid inclusion stratigraphy for wells and defining... -
Federal
FCpy: Feldman-Cousins Confidence Interval Calculator
Department of Commerce —
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
NIST Atomic Weights and Isotopic Compositions with Relative Atomic Masses
Department of Commerce —
The atomic weights are available for elements 1 through 118 and isotopic compositions or abundances are given when appropriate. Version 3.0. -
Federal
Liquid Chromatography Triple Quadrupole Mass Spectrometry (LC/MS/MS) analysis of cyanotoxins and algal toxins in estuary samples collected from California, USA, in 2016-17
Department of the Interior —
Cyanobacteria known to produce cyanotoxins have been reported worldwide. As monitoring efforts have improved, they have been detected in not only freshwater, but also... -
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
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
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
Department of Commerce —
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
40Ar/39Ar geochronology of the Tonopah, Divide, and Goldfield districts, Nevada
Department of the Interior —
Ar/Ar data are reported from minerals and rocks that were collected as part of a mineral resource investigation of the Tonopah, Divide, and Goldfield districts in... -
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... -
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
Per- and polyfluoroalkyl substances (PFAS) Interferents List
Department of Commerce —
A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry. -
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
Microplastic and nanoplastic chemical characterization by thermal desorption and pyrolysis mass spectrometry with unsupervised machine learning
Department of Commerce —
This data publication contains the mass spectrometry chemical characterization of microplastic and nanoplastic chemical analysis. The data from this study includes...