Waters | Nonlinear Dynamics

Progenesis QI

The next generation in LC-MS data analysis software.
Discover the significantly changing compounds in your samples.


Natural Product Atlas Library for Progenesis QI and UNIFI

A new Natural Product Atlas Library is available on Waters Marketplace.

The Natural Products Atlas is created by a consortium of data curators from around the world and is maintained by researchers in Roger Linington’s Research Group in the Department of Chemistry at Simon Fraser University in Vancouver, Canada.

Library Contents

  • The Natural Products Atlas is designed to cover all microbially-derived natural products published in the peer-reviewed primary scientific literature.
  • Included in the NP Atlas are compounds from bacteria, fungi, cyanobacteria, lichens and mushrooms.

Not included: compounds from marine macro algae, diatoms plants, invertebrates or other higher organisms unless these compounds have also been explicitly identified from a microbial source.

Currently, the Natural Products Atlas does not include compounds from the patent literature.

What information is included in the Natural Product Atlas Library?

  • Library contains structural information on 25,500+ microbial natural products that have been reported in the literature.
  • Both Progenesis QI and UNIFI generate theoretical fragments during library search.
  • Progenesis QI search results have direct hyperlinks to the Natural Product Atlas to perform further queries on the identified compounds, such as cluster analysis, node analysis, and connecting to GNPS.
  • UNIFI version of the library gives the opportunity to perform customized searches. These searches can be against NP Atlas ID, or a search within Genus, Species or Organism Type.
  • These are structural libraries and can be used to search both positive ion and negative ion mode data.

Library Updates:

  • Both versions of libraries will be updated quarterly in collaboration with Professor Roger Linington’s group and new versions will be made available via Marketplace.

The library can be downloaded via the Waters Marketplace, and registration is straightforward and easy! Once logged in you can find the library under Featured Applications, UNIFI, and Scientific Libraries. Once there you can select the Natural Product Atlas Library. To download simply follow the instructions from the Resources tab.

More detailed information can be found from the Natural Product Atlas.