Spectral data

• Spectral databases are often tied to LIMS systems and suffer from the same market forces as described above.

• High-quality UV/Vis/IR databases tend to be published for use with proprietary software (e.g., BioRad-Statler), far from the mainstream information management.

• One exception to this trend is the public NIST (ne' NBS) mass spectral database, which has become the standard library for MS and GCMS analysis. Unfortunately, it is distributed as a flat file which not very useful unless used with one of the proprietary instrument-oriented data systems.

• This might be a situation where communication between information universes (LIMS and chemical information) could be enabled by providing the underlying spectral data in a WWW-aware manner.

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