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Mass Spectrometry Metabolite Library

Supplied by IROA Technologies

Synonym: MSMLS, Mass Spectrometry Metabolite Libarary of Standards, Metabolic Library, Metabolite Library



Related Categories Cell Biology, Mass Spectrometry Metabolite Standards, Metabolite Libraries and Collections, Metabolomics
shipped in   dry ice
storage temp.   −20°C



Mass spectrometry (MS)

Features and Benefits

Over 600 unique small molecule metabolites organized in a 96-well format

To view a complete list of compounds in the library visit MSMLS Plate Map

The complete plate map with Name, parent CID, molecular formula, molecular weight, CAS, ChEBI, HMDB ID, PubChem Compound and Substance ID are provided with the software download.

Broad metabolite spectrum, key primary metabolites and intermediates covering key metabolic pathways, including the following classes of compounds:
• Carboxylic acids, amino acids
• Biogenic amines, polyamines
• Nucleotides, coenzymes and vitamins
• Mono- and disaccharides
• Fatty acids, lipids, steroids and hormones

Note: There are 34 "duplicate" compounds for QC/QA purposes. Some pairs differ in CAS number, salt and/or hydration form.

General description

MSMLS compounds are conveniently provided at 5μg per well, enough for multiple injections. These are high purity (>95%) compounds supplied in an economical, ready to use format. Compounds are arranged in 7 polypropylene racks. Metabolite descriptors provided with product include: Name, Parent CID, molecular formula, molecular weight, CAS, ChEBI, HMDB ID, PubChem Compound and Substance ID.

The library is intended to be used for mass spectrometry metabolomics applications and provides a broad representation of primary metabolism.

Other Notes

MSMLSDiscovery software package is distributed with and is tailored to work with MSMLS. A user manual and video instructions are provided.

To download the software package, visit sigma.com/msmlsdiscovery.

To view the MSMLSDiscovery Video visit: MSMLSDiscovery Tutorial Video

Preparation Note

MSMLS compounds are conveniently provided at 5μg per well, enough for multiple injections. Compounds can either be used as standards and injected individually or a strategy may be employed to pool compounds by row to allow multiple mixtures to be analyzed per injection. For more information on MSMLS, solubilization and preparation notes please refer to the product information sheet at the top of the page.

Legal Information

MSMLS and MSMLSDiscovery are trademarks of IROA Technologies, LLC.

Recommended products

A new metabolite library kit that will feature over 500 unique small molecule metabolites, containing 1 mg of each metabolite. This library of standards is most commonly used for metabolite qualification and quantification for MS and NMR, functional cellular assays and phenotypic screening. Click here to get more information.


Suitable for manual and automated work flows.

Protocols & Articles


MSMLSDiscovery™ Software Manual

MSMLSDiscovery™ is a software tool designed to streamline and simplify the tedious process of building authentic standard libraries for mass spectrometry. The program is tailored to work with the Mas...
Keywords: High performance liquid chromatography, Liquid chromatography mass spectrometry, Mass spectrometry, Metabolites, PAGE, Separation


Mass Spectrometry Metabolite Library Protocol

MSMLS (Mass Spectrometry Metabolite Library) is a collection of high quality small biochemical molecules that span a broad range of primary metabolism. These are high purity (>95%) compounds supplied...
Keywords: Chromatography, Hydration reaction, Mass spectrometry, Metabolism, Metabolites, Metabolomics

Peer-Reviewed Papers


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