An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?

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Fältnamn	Indikatorer	Metadata
000		08954naa a2200865 4500
001		oai:DiVA.org:su-182837
003		SwePub
008		200812s2020 \| \|\|\|\|\|\|\|\|\|\|\|000 \|\|eng\|
009		oai:DiVA.org:uu-423705
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-1828372 URI
024	7	a https://doi.org/10.1002/lom3.103642 DOI
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4237052 URI
040		a (SwePub)sud (SwePub)uu
041		a engb eng
042		9 SwePub
072	7	a ref2 swepub-contenttype
072	7	a art2 swepub-publicationtype
100	1	a Hawkes, Jeffrey A.u Uppsala universitet,Analytisk kemi4 aut0 (Swepub:uu)jefha907
245	1 0	a An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry :b Are we getting the same answer?
264		c 2020-06-05
264	1	b Wiley,c 2020
338		a print2 rdacarrier
520		a High-resolution mass spectrometry (HRMS) has become a vital tool for dissolved organic matter (DOM) characterization. The upward trend in HRMS analysis of DOM presents challenges in data comparison and interpretation among laboratories operating instruments with differing performance and user operating conditions. It is therefore essential that the community establishes metric ranges and compositional trends for data comparison with reference samples so that data can be robustly compared among research groups. To this end, four identically prepared DOM samples were each measured by 16 laboratories, using 17 commercially purchased instruments, using positive-ion and negative-ion mode electrospray ionization (ESI) HRMS analyses. The instruments identified similar to 1000 common ions in both negative- and positive-ion modes over a wide range of m/z values and chemical space, as determined by van Krevelen diagrams. Calculated metrics of abundance-weighted average indices (H/C, O/C, aromaticity and m/z) of the commonly detected ions showed that hydrogen saturation and aromaticity were consistent for each reference sample across the instruments, while average mass and oxygenation were more affected by differences in instrument type and settings. In this paper we present 32 metric values for future benchmarking. The metric values were obtained for the four different parameters from four samples in two ionization modes and can be used in future work to evaluate the performance of HRMS instruments.
650	7	a NATURVETENSKAPx Kemi0 (SwePub)1042 hsv//swe
650	7	a NATURAL SCIENCESx Chemical Sciences0 (SwePub)1042 hsv//eng
650	7	a NATURVETENSKAPx Geovetenskap och miljövetenskap0 (SwePub)1052 hsv//swe
650	7	a NATURAL SCIENCESx Earth and Related Environmental Sciences0 (SwePub)1052 hsv//eng
650	7	a NATURVETENSKAPx Geovetenskap och miljövetenskapx Oceanografi, hydrologi och vattenresurser0 (SwePub)105092 hsv//swe
650	7	a NATURAL SCIENCESx Earth and Related Environmental Sciencesx Oceanography, Hydrology and Water Resources0 (SwePub)105092 hsv//eng
700	1	a D'Andrilli, Julianau Louisiana Univ Marine Consortium, Chauvin, LA 70344 USA.4 aut
700	1	a Agar, Jeffrey N.u Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA.;Northeastern Univ, Barnett Inst Chem & Biol Anal, Boston, MA 02115 USA.4 aut
700	1	a Barrow, Mark P.u Univ Warwick, Dept Chem, Coventry, W Midlands, England.4 aut
700	1	a Berg, Stephanie M.u Univ Wisconsin, Environm Chem & Technol Program, Madison, WI USA.4 aut
700	1	a Catalán, Núriau Catalan Inst Water Res ICRA, Girona, Spain.;Univ Girona, Girona, Spain.4 aut
700	1	a Chen, Hongmeiu Old Dominion Univ, Dept Chem & Biochem, Norfolk, VA USA.4 aut
700	1	a Chu, Rosalie K.u Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.4 aut
700	1	a Cole, Richard B.u Sorbonne Univ, Inst Parisien Chim Mol, Umr 8232, France.4 aut
700	1	a Dittmar, Thorstenu Carl von Ossietzky Univ Oldenburg, Inst Chem & Biol Marine Environm, ICBM MPI Bridging Grp Marine Geochem, Oldenburg, Germany.;Carl von Ossietzky Univ Oldenburg, Helmholtz Inst Funct Marine Biodivers, Oldenburg, Germany.4 aut
700	1	a Gavard, Rémyu Univ Warwick, Dept Chem, Coventry, W Midlands, England.;Univ Warwick, Mol Analyt Sci Ctr Doctoral Training, Coventry, W Midlands, England.4 aut
700	1	a Gleixner, Gerdu Max Planck Inst Biogeochem, Dept Biogeochem Proc, Mol Biogeochem, Jena, Germany.,Old Dominion Univ, Dept Chem & Biochem, Norfolk, VA USA.4 aut
700	1	a Hatcher, Patrick G.4 aut
700	1	a He, Chenu China Univ Petr, State Key Lab Heavy Oil Proc, Beijing, Peoples R China.4 aut
700	1	a Hess, Nancy J.u Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.4 aut
700	1	a Hutchins, Ryan H. S.u Univ Alberta, Dept Biol Sci, Edmonton, AB, Canada.4 aut
700	1	a Ijaz, Amnau Michigan Technol Univ, Dept Chem, Houghton, MI 49931 USA.4 aut
700	1	a Jones, Hugh E.u Univ Warwick, Dept Chem, Coventry, W Midlands, England.;Univ Warwick, Mol Analyt Sci Ctr Doctoral Training, Coventry, W Midlands, England.4 aut
700	1	a Kew, Williamu Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.4 aut
700	1	a Khaksari, Maryamu Michigan Technol Univ, Dept Chem, Houghton, MI 49931 USA.;Michigan Technol Univ, Chem Adv Resolut Methods Lab, Houghton, MI 49931 USA.4 aut
700	1	a Lozano, Diana Catalina Palaciou Univ Warwick, Dept Chem, Coventry, W Midlands, England.4 aut
700	1	a Lv, Jitaou Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing, Peoples R China.4 aut
700	1	a Mazzoleni, Lynn R.u Michigan Technol Univ, Dept Chem, Houghton, MI 49931 USA.;Michigan Technol Univ, Chem Adv Resolut Methods Lab, Houghton, MI 49931 USA.4 aut
700	1	a Noriega-Ortega, Beatriz E.u Leibniz Inst Freshwater Ecol & Inland Fisheries, Berlin, Germany.4 aut
700	1	a Osterholz, Helenau Carl von Ossietzky Univ Oldenburg, Inst Chem & Biol Marine Environm, ICBM MPI Bridging Grp Marine Geochem, Oldenburg, Germany.;Inst Baltic Sea Res Warnemuende, Marine Chem, Rostock, Germany.4 aut
700	1	a Radoman, Nikolau Stockholms universitet,Institutionen för miljövetenskap,Stockholm Univ, Dept Environm Sci, Stockholm, Sweden.4 aut0 (Swepub:su)nira1291
700	1	a Remucal, Christina K.u Univ Wisconsin, Environm Chem & Technol Program, Madison, WI USA.;Univ Wisconsin, Dept Civil & Environm Engn, Madison, WI 53706 USA.4 aut
700	1	a Schmitt, Nicholas D.u Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA.;Northeastern Univ, Barnett Inst Chem & Biol Anal, Boston, MA 02115 USA.4 aut
700	1	a Schum, Simeon K.u Michigan Technol Univ, Dept Chem, Houghton, MI 49931 USA.;Michigan Technol Univ, Chem Adv Resolut Methods Lab, Houghton, MI 49931 USA.4 aut
700	1	a Shi, Quanu China Univ Petr, State Key Lab Heavy Oil Proc, Beijing, Peoples R China.4 aut
700	1	a Simon, Carstenu Max Planck Inst Biogeochem, Dept Biogeochem Proc, Mol Biogeochem, Jena, Germany.4 aut
700	1	a Singer, Gabrielu Leibniz Inst Freshwater Ecol & Inland Fisheries, Berlin, Germany.4 aut
700	1	a Sleighter, Rachel L.u Old Dominion Univ, Dept Chem & Biochem, Norfolk, VA USA.4 aut
700	1	a Stubbins, Aronu Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA.;Northeastern Univ, Dept Civil & Environm Engn, Boston, MA 02115 USA.;Northeastern Univ, Dept Marine & Environm Sci, Boston, MA 02115 USA.4 aut
700	1	a Thomas, Mary J.u Univ Warwick, Dept Chem, Coventry, W Midlands, England.;Univ Warwick, Mol Analyt Sci Ctr Doctoral Training, Coventry, W Midlands, England.4 aut
700	1	a Tolic, Nikolau Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.4 aut
700	1	a Zhang, Shuzhenu Chinese Acad Sci, Res Ctr Ecoenvironm Sci, State Key Lab Environm Chem & Ecotoxicol, Beijing, Peoples R China.4 aut
700	1	a Zito, Phoebeu Univ New Orleans, Dept Chem, Pontchartrain Inst Environm Sci, Chem Anal & Mass Spectrometry Facil, New Orleans, LA 70148 USA.4 aut
700	1	a Podgorski, David C.u Univ New Orleans, Dept Chem, Pontchartrain Inst Environm Sci, Chem Anal & Mass Spectrometry Facil, New Orleans, LA 70148 USA.4 aut
710	2	a Uppsala universitetb Analytisk kemi4 org
773	0	t Limnology and Oceanographyd : Wileyg 18:6, s. 235-258q 18:6<235-258x 1541-5856
856	4	u https://doi.org/10.1002/lom3.10364y Fulltext
856	4	u https://aslopubs.onlinelibrary.wiley.com/doi/pdfdirect/10.1002/lom3.10364
856	4	u https://uu.diva-portal.org/smash/get/diva2:1484524/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-182837
856	4 8	u https://doi.org/10.1002/lom3.10364
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-423705

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