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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: 2024-02-22
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: 2024-02-22
Views: 0
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: 2024-02-22
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: 2024-02-22
Views: 0
Certified values of iodine in CRMs of food matrices in mg/kg units. The uncertainties are expanded uncertainties at approximately 95% confidence.
Data provided by National Institute of Standards and Technology
A comparison of the expanded uncertainty for certified values of iodine in food matrix CRMs. The CRMS were found by searching The European Virtual Institute for Speciation Analysis (EVISA) database using the terms "Iodine" and "Certified" in the Material category. The uncertainties are expanded uncertainties at approximately 95% confidence.
Tags: food,nutrition,dietary supplements,Standard Reference materials,reference materials,SRM,RM,Food and Nutrition,
Modified: 2024-02-22
Views: 0
SRM 1953 Organic Contaminants in Non-Fortified Human Milk
Data provided by National Institute of Standards and Technology
SRM 1953 Organic Contaminants in Non-Fortified Human Milk - This Standard Reference Material (SRM) is intended for use in evaluating analytical methods for the determination of selected polychlorinated biphenyl (PCB) congeners, chlorinated pesticides, polybrominated diphenyl ether (PBDE) congeners, and elements in human milk and similar matrices. Reference concentration values are provided for polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs), as well as some inorganic constituents.
Tags: environment,Standard Reference materials,reference materials,SRM,RM,Environment and Climate,
Modified: 2024-02-22
Views: 0
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
Data provided by 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.
Tags: human blood plasma,metabolomics,mass spectrometry,liquid chromatography,SRM 1950,
Modified: 2024-02-22
Views: 0
Mass spectra of sulfonephthalein pH indicator dyes and their impurities
Data provided by 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 measurements. Uncertainties up to 0.1 pH units have been attributed to impurities in these reagents.
Tags: pH indicators,mass spectrometry,seawater pH,
Modified: 2024-02-22
Views: 0
SRM 3262 St. John's Wort (Hypericum perforatum L.) Aerial Parts
Data provided by National Institute of Standards and Technology
SRM 3262 St. John's Wort (Hypericum perforatum L.) Aerial Parts - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of chlorogenic acid, flavonoids, naphthodianthrones, and toxic elements in Hypericum perforatum L. and similar materials. This data is public in the Certificate of Analysis for this material.
Tags: Standard Reference materials,SRM,SRM 3262,St. John's wort,nutrition,dietary supplements,certified value,reference value,Food and Nutrition,
Modified: 2024-02-22
Views: 0
SRM 3264 St. John's Wort (Hypericum perforatum L.) Methanol Extract
Data provided by National Institute of Standards and Technology
SRM 3264 St. John's Wort (Hypericum perforatum L.) Methanol Extract - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of chlorogenic acid, flavonoids, naphthodianthrones, and toxic elements in methanol extracts of Hypericum perforatum L. and similar materials. This data is public in the Certificate of Analysis for this material.
Tags: Standard Reference materials,SRM,SRM 3264,St. John's wort,nutrition,dietary supplements,certified value,reference value,Food and Nutrition,
Modified: 2024-02-22
Views: 0