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Stable-isotope analysis of nitrate using ESI-Orbitrap IRMS

ABSTRACT: Data analyzed within Procedure 2 in Kantnerova et al. 2024 in Nature Protocols (https://doi.org/10.1038/s41596-024-00981-5). Procedure 2 describes the stable isotope analysis of the model analyte nitrate (NO3-) by applying the flow injection using an HPLC system with an autosampler. The nitrate data were collected using a Thermo Scientific Orbitrap Exploris 240 Isotope Solutions. Sample = USGS32, Reference = USGS35 (nitrate isotopic reference materials from the United States Geological Survey), 50 uM nitrate in methanol. Isotopocule data collected "with M0" base peak. RAW files were processed using the IsoX software (version 2022) using the isotopologs.tsv files as input. There are three datasets with the following prefixes: "01_" - USGS32 vs USGS35, optimal ion source conditions, 13 alternating injections of USGS35 and USGS32 + 2 blank methanol measurements "02_" - USGS32 vs USGS35, non-optimal ion-source conditions, 13 alternating injections of USGS35 and USGS32 + 2 blank methanol measurements "03_" - USGS32 vs USGS35, alternating injections of USGS35 and USGS32 extended to a total of 315 injections. Before rerunning the IsoX data analysis, remove the prefixes "01_", "02_" and "03_" from the respective .tsv files.

INSTRUMENT(S): ESI-Orbitrap Exploris 240 Isotope Solutions

ORGANISM(S): No Species

SUBMITTER: Cajetan Neubauer

PROVIDER: MSV000093223 | MassIVE | Wed Nov 01 08:17:00 GMT 2023

REPOSITORIES: MassIVE

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Stable-isotope analysis of nitrate using ESI-Orbitrap IRMS

Project description:Data analyzed within Procedure 2 in Kantnerova et al. 202X in Nature Protocols. Procedure 2 describes the stable isotope analysis of the model analyte nitrate (NO3-) by applying the flow injection using an HPLC system with an autosampler. The nitrate data were collected using a Thermo Scientific Orbitrap Exploris 240 Isotope Solutions. Sample = USGS32, Reference = USGS35 (nitrate isotopic reference materials from the United States Geological Survey), 50 uM nitrate in methanol. Isotopocule data collected "with M0" base peak. RAW files were processed using the IsoX software (version 2022) using the isotopologs.tsv files as input. There are three datasets with the following prefixes (to be removed before re-analysis using the IsoX software and the R scripts): "01_" - USGS32 vs USGS35, optimal ion source conditions, 13 alternating injections of USGS35 and USGS32 + 2 blank methanol measurements "02_" - USGS32 vs USGS35, non-optimal ion-source conditions, 13 alternating injections of USGS35 and USGS32 + 2 blank methanol measurements "03_" - USGS32 vs USGS35, alternating injections of USGS35 and USGS32 extended to a total of 315 injections

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Example data for ESI-Orbitrap IRMS

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2023-06-22 | MSV000092246 | MassIVE

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

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2023-08-11 | MSV000092644 | MassIVE

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

Project 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.

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