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GNPS Unknown precursors in Suwannee River NOM by direct-injection ESI tandem MS

ABSTRACT: This dataset consists of fragmentation data obtained from a Suwannee River Natural Organic Matter. The sample was originally isolated by Reverse Osmosis as described by Green et al. 2015 (http://doi.org/10.1089/ees.2014.0284). The sample was obtained as a powder from International Humic Substances Society (IHSS), reconstituted at ca. 40 ppm-DOC in bi-distilled water and extracted by SPE (PPL Bond Elut) at an extraction efficiency of 79%. This dataset contains data for four selected precursor mixtures (isolated at 1 Da window) at m/z 241, 301, 361 and 417. This spans the usual ion abundance range of MS1 fingerprints of terrestrial DOM. Each precursor mixture was measured at a normalized collision energy of 25 (CID, N2) in reduced profile mode. For more details, see the connected manuscript.

INSTRUMENT(S): LTQ Orbitrap Elite

ORGANISM(S): Natural Organic Matter Dissolved Organic Matter

SUBMITTER: Carsten Simon

PROVIDER: MSV000088869 | GNPS | Fri Feb 18 15:22:00 GMT 2022

REPOSITORIES: GNPS

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