DoCou
An introduction to Sirius - a computational tool for compound annotation with MS data
Date: Thu, September 12, 2024
Time: 10:30 am - 12:00 pm
Location: Kurt Mothes Lecture Hall at the Leibniz Institut of Plant Biochemistry in Halle (Saale)
and online (Teams link will be provided to registrants in advance)
Compound annotation is a bottleneck in metabolomics research, especially when we work with non-model organisms.
In addition, the annotation process is very difficult for researchers with little experience in analytical chemistry, especially if the compound is not found in any spectral library. Sirius includes a bundle of annotation tools that can help increase the annotation rate of metabolomic datasets, but like any computational tool, it should be used with care.
In this course I will give you an introduction to Sirius:
- What tools are implemented in Sirius?
- What are the capabilities and limitations?
- How to get started?
- How to use the results with other data?
We will use a test dataset.
Software Download link: SIRIUS | Lehrstuhl Bioinformatik Jena (uni-jena.de)
SIRIUS 4: Turning tandem mass spectra into metabolite structure information. Nature Methods 16, 299–302, 2019.
Afterwards, there will be opportunity for discussion of your questions with Henriette. This will take place in Benno Parthier Seminar Room.
Disclaimer: This is a user-oriented seminar. We will not discuss the software's functionality in detail. Please contact the developers for such inquiries. Main developers of SIRIUS are the Böcker group and the Bright Giant GmbH.
Target goup:
- anyone interested can attend
- doctoral students may receive a certificate of attendance
Trainer:
Dr. Henriette Uthe (MetaCom, IPB)
