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).

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).

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.

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.

SRM 972a Vitamin D Metabolites in Frozen Human Serum - This Standard Reference Material (SRM) is intended for use as an accuracy control in the critical evaluation of methods for determining the amount-of-substance concentration of vitamin D metabolites in human serum. This SRM can also be used as a quality assurance tool for assigning values to in-house control materials for these constituents. This data is public in the Certificate of Analysis for this material.

SRM 2973 Vitamin D Metabolites in Frozen Human Serum (High Level) - This Standard Reference Material (SRM) is intended for use as an accuracy control in the critical evaluation of methods for determining the amount-of-substance concentration of vitamin D metabolites in human serum. This SRM can also be used as a quality assurance tool for assigning values to in-house control materials for these constituents. This data is public in the Certificate of Analysis for this material.

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.

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.

Standard Reference Material 909c Frozen Human Serum - This Standard Reference Material (SRM) is intended primarily for use in validating analytical methods for the determination of specified constituents in human serum. This SRM can also be used for quality assurance when assigning values to in house control materials. A unit of SRM 909c consists of three vials, each containing 2 mL of frozen human serum. This data is public in the Certificate of Analysis for this material.

SRM 1950 Metabolites in Frozen Human Plasma - This Standard Reference Material (SRM) is intended primarily for validation of methods for determining metabolites such as fatty acids, electrolytes, vitamins, hormones, and amino acids in human plasma and similar materials. This SRM can also be used for comparison of measurement technologies used in metabolomic studies and for quality assurance when assigning values to in-house reference materials. This SRM is intended to represent "normal" human plasma.