One Molecule, Nearly 24 Million Spectra

GinorMass shows why database size does not necessarily reflect chemical diversity

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GinorMass is a public repository containing 23,971,300 tandem mass spectra, all acquired from the single molecule arginine.
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The repository demonstrates that a high spectrum count does not necessarily indicate broad chemical coverage.
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Researchers acquired the spectra from an arginine reference standard using a quadrupole time-of-flight mass spectrometer under fixed conditions.
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Repeated spectra can capture variation across instruments, laboratories, and acquisition conditions, but measurements under fixed conditions may become redundant.
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The authors recommended reporting spectral counts alongside chemical diversity, acquisition conditions, annotation confidence, and data provenance.

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