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.

Interlaboratory data from assessments of SRMs and other method comparison samples

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 2193a Calcium Carbonate pH Standard [used as saturated Ca(OH)2 solution] - This Standard Reference Material (SRM) is intended for use in preparing solutions for calibrating electrodes for pH measuring systems at pH values above 11.0. This lot of calcium carbonate (CaCO3) was selected for its low level of alkali metal impurities. However, this SRM is certified ONLY as a pH standard, NOT as a pure substance. A unit of SRM 2193a consists of 30 g of CaCO3. This data is public in the Certificate of Analysis for this material.

Donor serum for SRM 2378 was collected from three groups of individuals: (level 1) three healthy donors who took 1000 mg/day of fish oil supplements for a minimum of one month prior to collection; (level 2) three healthy donors who took 1000 mg/day of flaxseed oil supplements for a minimum of one month prior to collection; and (level 3) three healthy donors who did not take either fish or flaxseed oil supplements for one month prior to collection.

SRM 2950a Respirable Alpha Quartz on Filter Media (Nominal Mass of Alpha Quartz: 5 µg to 500 µg) - This Standard Reference Material (SRM) is intended primarily for the calibration of X-ray diffraction (XRD) spectrometers for the determination of respirable alpha quartz using National Institute for Occupational Safety and Health (NIOSH) Method 7500, or the equivalent. 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.