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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388971%3A_____%2F18%3A00498426" target="_blank" >RIV/61388971:_____/18:00498426 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1002/jms.4285" target="_blank" >http://dx.doi.org/10.1002/jms.4285</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1002/jms.4285" target="_blank" >10.1002/jms.4285</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10606 - Microbiology

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2018

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Mass Spectrometry

ISSN

1076-5174

e-ISSN

—

Svazek periodika

53

Číslo periodika v rámci svazku

11

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

7

Strana od-do

1097-1103

Kód UT WoS článku

000450684500007

EID výsledku v databázi Scopus

2-s2.0-85056802518