FTICR-MS and Biochemical Transformation Data from Global Inland River Water and Sediment Associated with: "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone"

Stegen, James C.; Fansler, Sarah J.; Tfaily, Malak M.; Garayburu-Caruso, Vanessa A.; Goldman, Amy E.; Danczak, Robert E.; Toyoda, Jason G.; Chu, Rosalie; Renteria, Lupita; Tagestad, Jerry D.

doi:10.15485/1839188

Title: FTICR-MS and Biochemical Transformation Data from Global Inland River Water and Sediment Associated with: "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone"

Dataset
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Abstract

This data package is associated with the publication "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone" submitted to Biogeosciences (Stegen et al., 2022). The study aims to understand how the diversity of OM transformations varies across surface and subsurface components of river corridors using inland surface water and sediments collected along river corridors across the contiguous United States. Sediment extracts and water samples were analyzed using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). This dataset is comprised of one folder (WHONDR_S19S) which contains (1) a subfolder with R scripts used to process the data and to calculate biochemical transformations, (2) processed FTICR-MS data as csv files, sample collection metadata and climate data as csv files, (3) biochemical transformations profile, classifications and database as csv files, and (4) a readme file with more information regarding WHONDRS raw FTICR-MS data and processing scripts. Outside of the main folders there is a csv containing file-level metadata and a csv data dictionary defining column headers for all csv files contained in the data package. The samples were part of a WHONDRS (https://whondrs.pnnl.gov) study. The raw, unprocessed FTICR-MS data with additional data can be found at doi:10.15485/1729719 formore »« less

Authors:

;

; Tagestad, Jerry D.

Pacific Northwest National Laboratory; Pacific Northwest National Laboratory
Pacific Northwest National Laboratory
University of Arizona/Pacific Northwest National Laboratory

Publication Date:: Thu Dec 31 23:00:00 EST 2020

Research Org.:: Environmental System Science Data Infrastructure for a Virtual Ecosystem

Sponsoring Org.:: U.S. DOE > Office of Science > Biological and Environmental Research (BER)

Subject:: 54 ENVIRONMENTAL SCIENCES; Abiotic; Biochemical Transformations; Biogeochemistry; Biotic; Climate variables; ESS-DIVE CSV File Formatting Guidelines Reporting Format; ESS-DIVE File Level Metadata Reporting Format; FTICR-MS; Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS); Hyporheic Zone; Mass spectrometry; Metabolite; Metabolomics; Organic matter; River; River corridor; Sediments; Stream; Surface water

OSTI Identifier:: 1839188

DOI:: https://doi.org/10.15485/1839188

Citation Formats


                    Stegen, James C., Fansler, Sarah J., Tfaily, Malak M., Garayburu-Caruso, Vanessa A., Goldman, Amy E., Danczak, Robert E., Toyoda, Jason G., Chu, Rosalie, Renteria, Lupita, and Tagestad, Jerry D. FTICR-MS and Biochemical Transformation Data from Global Inland River Water and Sediment Associated with: "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone".  United States: N. p., 2020. 
        Web.  doi:10.15485/1839188.

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                    Stegen, James C., Fansler, Sarah J., Tfaily, Malak M., Garayburu-Caruso, Vanessa A., Goldman, Amy E., Danczak, Robert E., Toyoda, Jason G., Chu, Rosalie, Renteria, Lupita, & Tagestad, Jerry D. FTICR-MS and Biochemical Transformation Data from Global Inland River Water and Sediment Associated with: "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone".  United States.  doi:https://doi.org/10.15485/1839188

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                    Stegen, James C., Fansler, Sarah J., Tfaily, Malak M., Garayburu-Caruso, Vanessa A., Goldman, Amy E., Danczak, Robert E., Toyoda, Jason G., Chu, Rosalie, Renteria, Lupita, and Tagestad, Jerry D. 2020.  
"FTICR-MS and Biochemical Transformation Data from Global Inland River Water and Sediment Associated with: "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone"".  United States.  doi:https://doi.org/10.15485/1839188.  https://www.osti.gov/servlets/purl/1839188. Pub date:Thu Dec 31 23:00:00 EST 2020

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@article{osti_1839188,

  title        = {FTICR-MS and Biochemical Transformation Data from Global Inland River Water and Sediment Associated with: "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone"},

  author       = {Stegen, James C. and Fansler, Sarah J. and Tfaily, Malak M. and Garayburu-Caruso, Vanessa A. and Goldman, Amy E. and Danczak, Robert E. and Toyoda, Jason G. and Chu, Rosalie and Renteria, Lupita and Tagestad, Jerry D.},

  abstractNote = {This data package is associated with the publication "Organic Matter Transformations are Disconnected Between Surface Water and the Hyporheic Zone" submitted to Biogeosciences (Stegen et al., 2022). The study aims to understand how the diversity of OM transformations varies across surface and subsurface components of river corridors using inland surface water and sediments collected along river corridors across the contiguous United States. Sediment extracts and water samples were analyzed using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). This dataset is comprised of one folder (WHONDR_S19S) which contains (1) a subfolder with R scripts used to process the data and to calculate biochemical transformations, (2) processed FTICR-MS data as csv files, sample collection metadata and climate data as csv files, (3) biochemical transformations profile, classifications and database as csv files, and (4) a readme file with more information regarding WHONDRS raw FTICR-MS data and processing scripts. Outside of the main folders there is a csv containing file-level metadata and a csv data dictionary defining column headers for all csv files contained in the data package. The samples were part of a WHONDRS (https://whondrs.pnnl.gov) study. The raw, unprocessed FTICR-MS data with additional data can be found at doi:10.15485/1729719 for sediments and doi:10.15485/1603775 for water. This data package contains the processed data used in the associated manuscript.},

  doi          = {10.15485/1839188},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Dec 31 23:00:00 EST 2020},

  month        = {Thu Dec 31 23:00:00 EST 2020}

}

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DOI: https://doi.org/10.15485/1839188

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