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 JCAMP-DX (Joint Committee for Atomic and Molecular Physical Data 'Data Exchange') format. Chemical structures are provided in the MOL-file format. The IR data originated from two sources, from the so-called 'EPA Vapor-Phase IR Library' and from NIST laboratories.

The atomic weights are available for elements 1 through 118 and isotopic compositions or abundances are given when appropriate. Version 3.0.

This resource consists of methods for matrix-assisted laser desorption ionization (MALDI) mass spectrometry on a wide variety of synthetic polymers. The methods are taken from the peer-review scientific literature. The database covers the period from 1988, the year of Tanaka's first paper on the subject, through 2011. Each recipe comes with a literature citation and associated digital object identifier (DOI) when available. The database currently contains entries for over 1250 polymer/matrix combinations.

This database is the product of a multi-year, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.

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.

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.

SRM 2384 Baking Chocolate - This Standard Reference Material (SRM) is intended primarily for use in validating methods for determining proximates, fatty acids, calories, vitamins, elements, catechins, caffeine, and theobromine in baking chocolate and similar matrices. This SRM can also be used for quality assurance when assigning values to in-house reference materials. The SRM is baking chocolate prepared from 100 % cocoa beans by a manufacturer of baking chocolate and consists of a single production lot.

SRM 2387 Peanut Butter - This Standard Reference Material (SRM) is intended primarily for use in validating methods for determining proximates, fatty acids, calories, vitamins, elements, amino acids, aflatoxins, and acrylamide in peanut butter and similar matrices. This SRM can also be used for quality assurance when assigning values to in-house reference materials. The SRM is a creamy peanut butter prepared by a manufacturer of peanut butter products. A unit of SRM 2387 consists of three jars of peanut butter containing 170 g each.

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.