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.

This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of aluminum. A unit of SRM 3101a consists of five 10 mL sealed borosilicate glass ampoules of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of aluminum. The solution contains nitric acid at a volume fraction of approximately 10 %, equivalent to an amount of substance concentration (molarity) of approximately 1.6 mol/L. This data is public in the Certificate of Analysis for this material.

This Standard Reference Material (SRM) is intended for use as a primary calibration standard for the quantitative determination of antimony. A unit of SRM 3102a consists of 50 mL of an acidified aqueous solution prepared gravimetrically to contain a known mass fraction of antimony in a high-density polyethylene bottle sealed in an aluminized bag.