http://lod.bco-dmo.org/id/dataset/983645
eng; USA
utf8
dataset
Highest level of data collection, from a common set of sensors or instrumentation, usually within the same research project
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
2025-08-28
ISO 19115-2 Geographic Information - Metadata - Part 2: Extensions for Imagery and Gridded Data
ISO 19115-2:2009(E)
Chemical composition of dissolved organic matter (DOM) determined by mass spectrometry from samples collected in Galveston Bay, Texas, USA in September 2017
2025-08-29
publication
2025-08-29
revision
BCO-DMO Linked Data URI
2025-08-29
creation
http://lod.bco-dmo.org/id/dataset/983645
Karl Kaiser
Texas A&M, Galveston
principalInvestigator
Cédric Fichot
Boston University
principalInvestigator
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
publisher
Cite this dataset as: Kaiser, K., Fichot, C. (2025) Chemical composition of dissolved organic matter (DOM) determined by mass spectrometry from samples collected in Galveston Bay, Texas, USA in September 2017. Biological and Chemical Oceanography Data Management Office (BCO-DMO). (Version 1) Version Date 2025-08-29 [if applicable, indicate subset used]. http://lod.bco-dmo.org/id/dataset/983645 [access date]
Mass spectrometry data Galveston Bay Dataset Description: Methods and Sampling: <p>Surface water samples were collected on five consecutive one-day trips aboard R/V Trident along a transect from the Port of Houston to the Galveston Bay entrance following Hurricane Harvey from September 4 to September 28, 2017. Samples were filtered on board through 0.2-micrometer (μm) Whatman-Nucleopore Q-TEC filters (Filtration Solutions) for DOC, optical, and chemical analysis.</p>
<p>Samples for mass spectrometry analyses (900 milliliters (mL)) were acidified to pH 2.5 using 6 moles per liter (mol L-1) sulfuric acid and extracted through Agilent PPL cartridges (1 gram) at 10 milliliters per minute (mL min-1). After extraction, cartridges were rinsed with 10 mL of deionized water acidified to pH 2.5 and dried for 30 seconds to remove residual water. The cartridges were eluted with 20 mL of methanol at 2 mL min-1, and the eluate was stored in glass vials at -20 degrees Celsius until analysis.</p>
<p>Electrospray ionization mass spectrometry (ESI-MS) experiments were performed using a Thermo Scientific Q Exactive Focus. Sample was injected into a 10-microliter (µL) loop and was transferred to the mass spec using a mobile phase containing 70% methanol and 30% water with 0.1% formic acid at a flow rate of 600 microliters per minute (µL/min). The Q Exactive Focus HESI source was operated in full MS in positive mode and negative mode. The mass resolution was tuned to 70000 FWHM at m/z 200. The spray voltage was set to 3.5 kilovolts (kV) for positive mode and 2.8 kV for negative mode. The sheath gas and auxiliary gas flow rates were set to 40 and 10 arbitrary units, respectively. The vaporizer and transfer capillary temperatures were held at 250 and 320 degrees Celsius, respectively. The S-Lens RF level was set at 50 volts. Exactive Series 2.11 /Xcalibur 4.2.47 software was used for data acquisition and processing of profile data. Mass spectral data processing for molecular formulae assignment followed procedures outlined by Hawkes et al. (2020). This included noise removal, internal calibration, and contaminant or rare peak removal. MATLAB code adapted from Fu et al. 2020) was used to assign formulae to noise-filtered and calibrated peaks. Assignment was performed allowing a mass tolerance of ± 2 parts per million (ppm).</p>
Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-2148831 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=2148831
onGoing
Karl Kaiser
Texas A&M, Galveston
409-740-4879
1001 Texas Clipper Rd Dept. of Marine Sciences, Texas A&M University, Galveston Campus
Galveston
TX
77554
USA
kaiserk@tamug.edu
pointOfContact
Cédric Fichot
Boston University
617-358-2182
685 Commonwealth Ave.
Boston
MA
02215
USA
cgfichot@bu.edu
pointOfContact
asNeeded
Dataset Version: 1
Unknown
Mass
C
H
O
N
C13
S
P
Na
Elemental_composition
NeutralMass
H1_9_4_2017
H4_9_4_2017
H10_9_4_2017
H1_9_9_2017
H10_9_9_2017
H1_9_16_2017
H4_9_16_2017
H7_9_16_2017
H10_9_16_2017
H1_9_21_2017
H4_9_21_2017
H7_9_21_2017
H10_9_21_2017
H1_9_28_2017
H4_9_28_2017
H10_9_28_2017
Thermo Scientific Q Exactive Focus
theme
None, User defined
mass-to-charge ratio (m/z)
number
sample description
Intensity (relative ion abundance)
featureType
BCO-DMO Standard Parameters
Mass Spectrometer
instrument
BCO-DMO Standard Instruments
otherRestrictions
otherRestrictions
Access Constraints: none. Use Constraints: Please follow guidelines at: http://www.bco-dmo.org/terms-use Distribution liability: Under no circumstances shall BCO-DMO be liable for any direct, incidental, special, consequential, indirect, or punitive damages that result from the use of, or the inability to use, the materials in this data submission. If you are dissatisfied with any materials in this data submission your sole and exclusive remedy is to discontinue use.
Collaborative Research: Distribution and Cycling of Carboxyl-Rich Alicyclic Molecules (CRAM) in the Ocean
https://osprey.bco-dmo.org/project/894132
Collaborative Research: Distribution and Cycling of Carboxyl-Rich Alicyclic Molecules (CRAM) in the Ocean
<p><strong>NSF Award Abstract:</strong><br />
Collaborative Research: Distribution and Cycling of Carboxyl-Rich Alicyclic Molecules (CRAM) in the Ocean</p>
<p>Dissolved organic matter is the largest pool of organic carbon in the ocean. Thus, it plays an important role in carbon storage and climate change. The components of dissolved organic matter are the remains of biological products. As a result, the chemical make-up of dissolved organic matter (DOM) can provide important clues about the processes affecting this carbon pool. By learning more about the chemical structures and reactions that produce DOM, connections can be made to biological and biochemical processes and their importance. This project will study the distribution, production, and removal of one important class of molecules called carboxyl-rich alicyclic molecules (CRAM). These molecules are abundant in marine DOM and play an important role in the ocean carbon cycle. They also affect the supply of the micronutrient iron, and thus have an important influence on primary production and ocean food webs. The research includes field and laboratory experiments and takes advantage of ocean locations with long-term data. Together, the lead scientists will provide training and resources for the graduate students, undergraduate research opportunities for underrepresented groups in STEM, and direct outreach to the public through a website, articles in local newspapers, and talks at public venues.</p>
<p>CRAM make-up 8 to 25% of marine dissolved organic carbon (DOC) and represent a carbon reservoir of >65 Pg C that is equivalent to at least 8% of the atmospheric CO2 pool. CRAM play a central role in the functioning of the microbial carbon pump, a conceptual framework for producing refractory carbon by microbial processes in the ocean. Further, CRAM act as an important ligand of Fe(III) in the ocean, thereby playing an important role in regulating marine primary production. The main project objectives are: (1) measure the variable distribution of CRAM in the ocean, and (2) determine the dominant mechanisms of CRAM production and removal. The project will leverage an extensive set of already collected samples across the world’s oceans and new field work within the framework of the Bermuda Atlantic and Hawaii Ocean Time Series. Field measurements will be combined with experimental approaches to specifically address microbial and photochemical reactions leading to CRAM production and removal. This research will fill important gaps in resolving the key questions about organic carbon cycling in the ocean and explore the role of DOM in mediating the cycles of iron and other trace elements.</p>
<p>This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.</p>
CRAM in the ocean
largerWorkCitation
project
eng; USA
oceans
-94.9789
-94.6908
29.33278
29.6725
2017-09-04
2017-09-28
0
BCO-DMO catalogue of parameters from Chemical composition of dissolved organic matter (DOM) determined by mass spectrometry from samples collected in Galveston Bay, Texas, USA in September 2017
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
http://lod.bco-dmo.org/id/dataset-parameter/983695.rdf
Name: Mass
Units: m/z
Description: <p>measured mass</p>
http://lod.bco-dmo.org/id/dataset-parameter/983696.rdf
Name: C
Units: unitless
Description: <p>number of carbon atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983697.rdf
Name: H
Units: unitless
Description: <p>number of hydrogen atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983698.rdf
Name: O
Units: unitless
Description: <p>number of oxygen atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983699.rdf
Name: N
Units: unitless
Description: <p>number of nitrogen atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983700.rdf
Name: C13
Units: unitless
Description: <p>number of 13C atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983701.rdf
Name: S
Units: unitless
Description: <p>number of sulfur atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983702.rdf
Name: P
Units: unitless
Description: <p>number of phosphorus atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983703.rdf
Name: Na
Units: unitless
Description: <p>number of sodium atoms</p>
http://lod.bco-dmo.org/id/dataset-parameter/983704.rdf
Name: Elemental_composition
Units: unitless
Description: <p>elemental composition formula</p>
http://lod.bco-dmo.org/id/dataset-parameter/983705.rdf
Name: NeutralMass
Units: m/z
Description: <p>mass plus hydrogen mass</p>
http://lod.bco-dmo.org/id/dataset-parameter/983706.rdf
Name: H1_9_4_2017
Units: unknown
Description: <p>Station and date. Station H1 latitude, longitude (degrees): 29.6725,-94.9769. Date (mm-dd-yyyy): 09-04-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983707.rdf
Name: H4_9_4_2017
Units: unknown
Description: <p>Station and date. Station H4 latitude, longitude (degrees): 29.53556,-94.8972. Date (mm-dd-yyyy): 09-04-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983708.rdf
Name: H10_9_4_2017
Units: unknown
Description: <p>Station and date. Station H10 latitude, longitude (degrees): 29.33361,-94.6886. Date (mm-dd-yyyy): 09-04-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983709.rdf
Name: H1_9_9_2017
Units: unknown
Description: <p>Station and date. Station H1 latitude, longitude (degrees): 29.67056,-94.9789. Date (mm-dd-yyyy): 09-09-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983710.rdf
Name: H10_9_9_2017
Units: unknown
Description: <p>Station and date. Station H10 latitude, longitude (degrees): 29.335,-94.6908. Date (mm-dd-yyyy): 09-09-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983711.rdf
Name: H1_9_16_2017
Units: unknown
Description: <p>Station and date. Station H1 latitude, longitude (degrees): 29.671,-94.9787. Date (mm-dd-yyyy): 09-16-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983712.rdf
Name: H4_9_16_2017
Units: unknown
Description: <p>Station and date. Station H4 latitude, longitude (degrees): 29.5373,-94.9016. Date (mm-dd-yyyy): 09-16-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983713.rdf
Name: H7_9_16_2017
Units: unknown
Description: <p>Station and date. Station H7 latitude, longitude (degrees): 29.4118,-94.8216. Date (mm-dd-yyyy): 09-16-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983714.rdf
Name: H10_9_16_2017
Units: unknown
Description: <p>Station and date. Station H10 latitude, longitude (degrees): 29.3344,-94.6959. Date (mm-dd-yyyy): 09-16-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983715.rdf
Name: H1_9_21_2017
Units: unknown
Description: <p>Station and date. Station H1 latitude, longitude (degrees): 29.67222,-94.8461. Date (mm-dd-yyyy): 09-21-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983716.rdf
Name: H4_9_21_2017
Units: unknown
Description: <p>Station and date. Station H4 latitude, longitude (degrees): 29.535,-94.8989. Date (mm-dd-yyyy): 09-21-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983717.rdf
Name: H7_9_21_2017
Units: unknown
Description: <p>Station and date. Station H7 latitude, longitude (degrees): 29.4125,-94.8261. Date (mm-dd-yyyy): 09-21-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983718.rdf
Name: H10_9_21_2017
Units: unknown
Description: <p>Station and date. Station H10 latitude, longitude (degrees): 29.34056,-94.8017. Date (mm-dd-yyyy): 09-21-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983719.rdf
Name: H1_9_28_2017
Units: unknown
Description: <p>Station and date. Station H1 latitude, longitude (degrees): 29.66806,-94.9781. Date (mm-dd-yyyy): 09-28-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983720.rdf
Name: H4_9_28_2017
Units: unknown
Description: <p>Station and date. Station H4 latitude, longitude (degrees): 29.535,-94.9003. Date (mm-dd-yyyy): 09-28-2017</p>
http://lod.bco-dmo.org/id/dataset-parameter/983721.rdf
Name: H10_9_28_2017
Units: unknown
Description: <p>Station and date. Station H10 latitude, longitude (degrees): 29.33278,-94.6911. Date (mm-dd-yyyy): 09-28-2017</p>
GB/NERC/BODC > British Oceanographic Data Centre, Natural Environment Research Council, United Kingdom
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
https://osprey.bco-dmo.org/dataset/983645/data/download
download
onLine
dataset
<p>Surface water samples were collected on five consecutive one-day trips aboard R/V Trident along a transect from the Port of Houston to the Galveston Bay entrance following Hurricane Harvey from September 4 to September 28, 2017. Samples were filtered on board through 0.2-micrometer (μm) Whatman-Nucleopore Q-TEC filters (Filtration Solutions) for DOC, optical, and chemical analysis.</p>
<p>Samples for mass spectrometry analyses (900 milliliters (mL)) were acidified to pH 2.5 using 6 moles per liter (mol L-1) sulfuric acid and extracted through Agilent PPL cartridges (1 gram) at 10 milliliters per minute (mL min-1). After extraction, cartridges were rinsed with 10 mL of deionized water acidified to pH 2.5 and dried for 30 seconds to remove residual water. The cartridges were eluted with 20 mL of methanol at 2 mL min-1, and the eluate was stored in glass vials at -20 degrees Celsius until analysis.</p>
<p>Electrospray ionization mass spectrometry (ESI-MS) experiments were performed using a Thermo Scientific Q Exactive Focus. Sample was injected into a 10-microliter (µL) loop and was transferred to the mass spec using a mobile phase containing 70% methanol and 30% water with 0.1% formic acid at a flow rate of 600 microliters per minute (µL/min). The Q Exactive Focus HESI source was operated in full MS in positive mode and negative mode. The mass resolution was tuned to 70000 FWHM at m/z 200. The spray voltage was set to 3.5 kilovolts (kV) for positive mode and 2.8 kV for negative mode. The sheath gas and auxiliary gas flow rates were set to 40 and 10 arbitrary units, respectively. The vaporizer and transfer capillary temperatures were held at 250 and 320 degrees Celsius, respectively. The S-Lens RF level was set at 50 volts. Exactive Series 2.11 /Xcalibur 4.2.47 software was used for data acquisition and processing of profile data. Mass spectral data processing for molecular formulae assignment followed procedures outlined by Hawkes et al. (2020). This included noise removal, internal calibration, and contaminant or rare peak removal. MATLAB code adapted from Fu et al. 2020) was used to assign formulae to noise-filtered and calibrated peaks. Assignment was performed allowing a mass tolerance of ± 2 parts per million (ppm).</p>
Specified by the Principal Investigator(s)
<p>Mass spectrometry data were processed with Matlab code provided in Fu et al. (2020). Final data were prepared with Anaconda Python distribution 2023.09-0, Python version 3.11.5.</p>
Specified by the Principal Investigator(s)
- Imported original file "MS_data_GB.csv" into the BCO-DMO system.
- Renamed fields to comply with BCO-DMO naming conventions.
- Saved the final file as "983645_v1_mass_spec_galveston_bay.csv".
Specified by BCO-DMO Data Managers
asNeeded
7.x-1.1
Biological and Chemical Oceanography Data Management Office (BCO-DMO)
Unavailable
508-289-2009
WHOI MS#36
Woods Hole
MA
02543
USA
info@bco-dmo.org
http://www.bco-dmo.org
Monday - Friday 8:00am - 5:00pm
For questions regarding this resource, please contact BCO-DMO via the email address provided.
pointOfContact
Thermo Scientific Q Exactive Focus
Thermo Scientific Q Exactive Focus
PI Supplied Instrument Name: Thermo Scientific Q Exactive Focus Instrument Name: Mass Spectrometer Instrument Short Name:Mass Spec Instrument Description: General term for instruments used to measure the mass-to-charge ratio of ions; generally used to find the composition of a sample by generating a mass spectrum representing the masses of sample components. Community Standard Description: http://vocab.nerc.ac.uk/collection/L05/current/LAB16/