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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: 2025-04-06
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: 2025-04-06
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: 2025-04-06
Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb
Data provided by National Institute of Standards and Technology
Data set from peer-reviewed publication: D. M. Bailey et al., Precision spectroscopy of nitrous oxide isotopocules with a cross-dispersed spectrometer and a mid-infrared frequency comb, Analytical Chemistry, 92, 13759-13766 (2020).
Tags: greenhouse gases,Nitrous Oxide,spectroscopy,optical frequency combs,remote sensing,Environment and Climate,
Modified: 2025-04-06
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: 2025-04-06
Optical Modeling of Single Asian Dust and Marine Air Particles: A Comparison with Geometric Particle Shapes for Remote Sensing
Data provided by National Institute of Standards and Technology
The project that produced these data involved the analysis and modeling of atmospheric Asian dust particles and background marine air particles collected in Hawaii, USA at the Mauna Loa Observatory (MLO) of the National Oceanic and Atmospheric Administration. Individual heterogeneous dust particles were analyzed with focused ion-beam scanning electron microscopy and energy-dispersive X-ray spectroscopy.
Tags: atmospheric aerosol,Asian dust,light scattering,light absorption,radiative forcing,climate change,focused ion-beam scanning electron microscopy,FIB-SEM,energy-dispersive X-ray spectroscopy,EDX,focused ion-beam tomography,optical property modeling,discrete dipole approximation method,Environment and Climate,
Modified: 2025-04-06
Construction of a Dual-enzyme, Subzero (-30 degree C) Chromatography System and Multi-channel Precision Temperature Controller for Hydrogen-Deuterium Exchange Mass Spectrometry
Data provided by 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 necessary for construction of a dual-protease, subzero, liquid chromatography system for hydrogen-deuterium exchange mass spectrometry. Electrical schematics for construction of a multi-zone temperature controller that regulate to ±0.1 oC are also included in this tutorial.
Tags: liquid chromatography,hydrogen-deuterium exchange,mass spectrometry,precision,peptide,protein,proteolysis,proteomics,reference material,temperature control.,
Modified: 2025-04-06
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: 2025-04-06
NIST Micronutrients Measurement Quality Assurance Program Winter and Summer 2017 Comparability Studies
Data provided by National Institute of Standards and Technology
The Micronutrients Measurement Quality Assurance Program (MMQAP) was coordinated by the Chemical Sciences Division and supported measurement technology for selected fat- and water-soluble vitamins and carotenoids in human serum. This program was initiated in 1984 by the National Cancer Institute Division of Cancer Prevention and Control to ensure the long-term reliability of the measurements made while studying the possible cancer chemoprevention roles of these compounds.
Tags: interlaboratory comparisons,Biosciences and Health,Energy,Environment and Climate,Food and Nutrition,fat-soluble vitamins,Carotenoids,Vitamin C,Human Serum,interlaboratory study,
Modified: 2025-04-06