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35 results found

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 3239 Isoflavones Calibration Solution

Data provided by  National Institute of Standards and Technology

SRM 3239 Isoflavones Calibration Solution - This Standard Reference Material (SRM) is intended primarily for use in calibration of instruments and techniques used for the determination of isoflavones. SRM 3239 consists of two solutions containing isoflavones at levels that reflect the mass fraction ratios found in soy products. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference Material,SRM,SRM 3239,certified values,nutrition,dietary supplements,isoflavones,Food and Nutrition,

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 3235 Soy Milk

Data provided by  National Institute of Standards and Technology

SRM 3235 Soy Milk - This Standard Reference Material (SRM) is intended primarily for validation of methods for determining vitamins, elements, proximates, fatty acids, and amino acids in soy milk and similar materials. This SRM can also be used for quality assurance when assigning values to in-house reference materials. The SRM is a soy milk prepared by a commercial manufacturer. A unit of SRM 3235 consists of 10 ampoules, each containing approximately 10 mL of material. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference Material,SRM,SRM 3235,soy milk,soy,certified values,reference values,food,nutrition,dietary supplements,Food and Nutrition,

Modified: 2024-02-22

Views: 0

SRM 3252 Protein Drink Mix

Data provided by  National Institute of Standards and Technology

SRM 3252 Protein Drink Mix - This Standard Reference Material (SRM) is intended primarily for validation of methods for determining proximates, fatty acids, cholesterol, vitamins, elements, and amino acids in protein drink mixes and similar materials. This SRM can also be used for quality assurance when assigning values to in-house reference materials. This data is public in the Certificate of Analysis for this material.

Tags: Standard Reference Material,SRM,SRM 3252,protein drink mix,certified values,reference values,food,nutrition,dietary supplements,Food and Nutrition,

Modified: 2024-02-22

Views: 0