CycloBranch: An open tool for fine isotope structures in conventional and product ion mass spectra

Journal of Mass Spectrometry : JMS
Jiří NovákVladimír Havlíček

Abstract

Within the growing community of Fourier transform mass spectrometry users, the identification of fine isotope structure has become an indispensable method for molecular formula determination. In this work, the fine isotope envelopes for accessing the mutual ratio of 2 closely related pyoverdines in a mixture were used. Bacterial siderophores pyoverdines D and E cannot be easily separated via liquid chromatography-mass spectrometry because their structures differ in (de)amidation at the respective chromophore parts only. Their mutual ratio was determined in a mixture via nuclear magnetic resonance spectroscopy and semiquantitative mass spectrometry using our open-source software CycloBranch, which represents a genuine free tool supporting the determination of fine isotope structures in both conventional and product ion mass spectra. Native Bruker, Thermo, and Waters data formats are supported in addition to XML and plain text formats.

References

Mar 28, 2003·Analytical Chemistry·Stilianos G Roussis, Richard Proulx
Apr 15, 2004·Fortschritte der Chemie organischer Naturstoffe = Progress in the chemistry of organic natural products. Progrès dans la chimie des substances organiques naturelles·H Budzikiewicz
Nov 19, 2008·Bioinformatics·Sebastian BöckerAnton Pervukhin
May 15, 2010·Analytical Chemistry·Martin StrohalmVladimír Havlícek
May 19, 2011·Mass Spectrometry Reviews·Dirk ValkenborgTomasz Burzykowski
Nov 8, 2012·Proceedings of the National Academy of Sciences of the United States of America·Ashraf IbrahimNathan A Magarvey
Mar 28, 2013·Organic Letters·Roi Mashiach, Michael M Meijler
May 2, 2015·Analytical Chemistry·Martin LoosHeinz Singer
May 20, 2015·Mass Spectrometry Reviews·Tomáš PluháčekVladimír Havlíček
Jul 22, 2015·Journal of the American Society for Mass Spectrometry·Jiří NovákVladimír Havlíček
Nov 2, 2016·Analytical Chemistry·Jakub PřichystalVladimír Havlíček
Nov 8, 2016·Nature Chemical Biology·Hosein MohimaniPavel A Pevzner
Feb 25, 2017·Analytical Chemistry·Mateusz K ŁąckiAnna Gambin

❮ Previous
Next ❯

Citations

Dec 3, 2021·Mass Spectrometry Reviews·Rutuja H PatilVladimír Havlíček

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.