MassIVE MSV000093222

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Stable-isotope analysis of TFA and MRFA using ESI-Orbitrap IRMS

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Description

Data analyzed within Procedure 1 in Kantnerova et al. 2024 in Nature Protocols (https://doi.org/10.1038/s41596-024-00981-5). Procedure 1 describes a direct infusion analysis using an easily accessible Orbitrap MS calibration solution FlexMix, analyzing its two compounds: a) trifluoroacetate (TFA) in the negative ESI mode, and b) the peptide MRFA (Met-Arg-Phe-Ala) and its amino acid fragments (MS/MS analysis) in the positive ESI mode. The TFA data were collected using a Thermo Scientific Orbitrap Exploris 240 Isotope Solutions. The MRFA data were collected using a Thermo Scientific Orbitrap Exploris 480 Isotope Solutions. RAW files were processed using the IsoX software (version 2022) using the isotopologs.tsv files as input. Before rerunning the IsoX data analysis, remove the suffixes "_TFA", "_MRFA" and "_MRFA_2" from the respective .tsv files. [doi:10.25345/C5X63BG6D] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: isotope analysis ; MRFA ; trifluoroacetic acid ; stable isotopes ; isotopocule ; IRMS

Contact

Principal Investigators:
(in alphabetical order) 		Cajetan Neubauer, University of Colorado Boulder, USA
Submitting User: isoorbi

Publications

Kantnerová, K., Kuhlbusch, N., Juchelka, D., Hilkert, A., Kopf, S., Neubauer, C.
A guide to precise measurements of isotope abundance by ESI-Orbitrap MS.
Nat Protoc. 2024. doi: 10.1038/s41596-024-00981-5.

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