Characterization of Northern Gulf of Mexico sediments using ultrahigh resolution FTICR-MS

Center for the Integrated Modeling and Analysis of Gulf Ecosystems II (C-IMAGE II)

DOI:
10.7266/N71R6NGQ
 
UDI:
R4.x267.179:0005
Last Update:
Feb 27 2017 16:43 UTC
 
Dataset Author(s):
Radovic, Jagos
Point of Contact:
Radovic, Jagos
University of Calgary / Geoscience Department
ES118 2500 University Drive Northwest
Calgary, Alberta  T2N 1N4
CAN
jagos.radovic@ucalgary.ca
Funding Source:
RFP-IV
Data Collection Period:
2014-08-01 to 2014-08-31

Identified Submitted In-Review Available
3 3 3 3

Suggested Citation:

Radovic, Jagos. 2017. Characterization of Northern Gulf of Mexico sediments using ultrahigh resolution FTICR-MS. Distributed by: Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC), Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/N71R6NGQ

Abstract:

Dataset contains exact m/z and intensities of the peaks detected in the Northern Gulf of Mexico sediment extracts using ultrahigh resolution FTICR-MS.

Purpose:

Characterize the organic species present in the Northern Gulf of Mexico sediments

Theme Keywords:

FTICR-MS, Fourier transform ion cyclotron resonance, mass spectrometry, APPI-P, atmospheric pressure photoionization

File Format:

xlsx, xls

Filename:

R4.x267.179-0005-Radovic.zip (3.97 MB)

Dataset Downloads:

8

Characterization of Northern Gulf of Mexico sediments using ultrahigh resolution FTICR-MS



Identification Information
Distribution Information
Metadata Maintenance Information

Metadata: 
  File identifier: 
      R4.x267.179-0005-metadata.xml
  Language: 
      eng; USA
  Character set: 
    Character set code: 
      utf8
  Hierarchy level: 
    Scope code: 
      dataset
  Metadata author: 
    Responsible party: 
      Individual name: 
          Richard McKenzie
      Organisation name: 
          University of South Florida / USF Library System
      Position name: 
          GIS Analyst
      Contact info: 
        Contact: 
          Phone: 
            Telephone: 
              Voice: 
                  8139742852
              Facsimile: 
          Address: 
            Address: 
              Delivery point: 
                  4202 E. Fowler Avenue LIB122
              City: 
                  Tampa
              Administrative area: 
                  Florida
              Postal code: 
                  33620
              Country: 
                  USA
              Electronic mail address: 
                  rwmcken2@usf.edu
      Role: 
        Role code: 
          pointOfContact
  Date stamp: 
      2021-05-04T20:04:57+00:00
  Metadata standard name: 
      ISO 19115-2 Geographic Information - Metadata - Part 2: Extensions for Imagery and Gridded Data
  Metadata standard version: 
      ISO 19115-2:2009(E)
  Dataset URI: 
      https://data.gulfresearchinitiative.org/metadata/R4.x267.179:0005
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Identification info: Data identification: Citation: Citation: Title: Characterization of Northern Gulf of Mexico sediments using ultrahigh resolution FTICR-MS Alternate title: Date: Date: Date: 2017-02-28 Date type: Date type code: publication Identifier: Identifier: Code: Anchor: xlink: https://dx.doi.org/10.7266/N71R6NGQ title: DOI doi:10.7266/N71R6NGQ Abstract: Dataset contains exact m/z and intensities of the peaks detected in the Northern Gulf of Mexico sediment extracts using ultrahigh resolution FTICR-MS. Purpose: Characterize the organic species present in the Northern Gulf of Mexico sediments Status: Progress code: completed Point of contact: Responsible party: Individual name: Jagos Radovic Organisation name: University of Calgary / Geoscience Department Position name: Research Associate Contact info: Contact: Phone: Telephone: Voice: 4032203916 Facsimile: Address: Address: Delivery point: ES118 2500 University Drive Northwest City: Calgary Administrative area: Alberta Postal code: T2N 1N4 Country: CAN Electronic mail address: jagos.radovic@ucalgary.ca Role: Role code: pointOfContact Point of contact: Responsible party: Individual name: Steve R. Larter Organisation name: University of Calgary / Petroleum Reservoir Group - Tesla Petroleomics Center Position name: Canada Research Chair Contact info: Contact: Phone: Telephone: Voice: 4032207484 Facsimile: Address: Address: Delivery point: 2500 University Drive, NW City: Calgary Administrative area: Alberta Postal code: T2N 1N4 Country: CAN Electronic mail address: slarter@ucalgary.ca Role: Role code: pointOfContact Descriptive keywords: Keywords: Keyword: FTICR-MS Keyword: Fourier transform ion cyclotron resonance Keyword: mass spectrometry Keyword: APPI-P Keyword: atmospheric pressure photoionization Type: Keyword type code: theme Descriptive keywords: Keywords: Keyword: Northern Gulf of Mexico Type: Keyword type code: place Resource constraints: title: Cite As Constraints: Use limitation: Radovic, Jagos. 2017. Characterization of Northern Gulf of Mexico sediments using ultrahigh resolution FTICR-MS. Distributed by: Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC), Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/N71R6NGQ Resource constraints: title: CC0 License Legal constraints: Use constraints: Restriction code: licenceUnrestricted Other constraints: This information is released under the Creative Commons license - No Rights Reserved - CC0 1.0 Universal (https://creativecommons.org/publicdomain/zero/1.0/). The person who associated a work with this deed has dedicated the work to the public domain by waiving all of his or her rights to the work worldwide under copyright law, including all related and neighboring rights, to the extent allowed by law. You can copy, modify, distribute and perform the work, even for commercial purposes, all without asking permission. Resource constraints: title: Liability and Warranty Legal constraints: Other constraints: All materials on this website are made available to GRIIDC and in turn to you "as-is." Content may only be submitted by an individual who represents and warrants that s/he has sufficient rights to be able to make the content available under a CC0 waiver. There is no warranty (expressed or implied) to these materials, their title, accuracy, non-infringement of third party rights, or fitness for any particular purpose, including the performance or results you may obtain from their use. Use these materials at your own risk. Under no circumstances shall GRIIDC be liable for any direct, incidental, special, consequential, indirect, or punitive damages that result from the use or the inability to use either this website or the materials available via this website. If you are dissatisfied with any website feature, content, or terms of use, your sole and exclusive remedy is to discontinue use. Aggregation Info: AggregateInformation: Aggregate Data Set Name: title: Related Publication Citation Citation: Title: Radović, J. R., Silva, R. C., Snowdon, R. W., Brown, M., Larter, S., & Oldenburg, T. B. P. (2016). A rapid method to assess a broad inventory of organic species in marine sediments using ultra-high resolution mass spectrometry. Rapid Commun. Mass Spectrom., 30(11), 1273–1282. doi:10.1002/rcm.7556 Date: inapplicable Aggregate Data Set Identifier: title: Related Publication DOI Identifier: Code: Anchor: xlink: https://dx.doi.org/10.1002/rcm.7556 title: DOI doi:10.1002/rcm.7556 Association Type: Association type code: crossReference Aggregation Info: AggregateInformation: Aggregate Data Set Name: title: Related Publication Citation Citation: Title: Romero, I. C., Chanton, J. P., Roseheim, B. E., Radović, J. R., Schwing, P. T., Hollander, D. J., … Oldenburg, T. B. P. (2019). Long-Term Preservation of Oil Spill Events in Sediments: The Case for the Deepwater Horizon Oil Spill in the Northern Gulf of Mexico. Deep Oil Spills, 285–300. doi:10.1007/978-3-030-11605-7_17 Date: inapplicable Aggregate Data Set Identifier: title: Related Publication DOI Identifier: Code: Anchor: xlink: https://dx.doi.org/10.1007/978-3-030-11605-7_17 title: DOI doi:10.1007/978-3-030-11605-7_17 Association Type: Association type code: crossReference Aggregation Info: AggregateInformation: Aggregate Data Set Name: title: Related Publication Citation Citation: Title: Radović, J. R., Jaggi, A., Silva, R. C., Snowdon, R., Waggoner, D. C., Hatcher, P. G., … Oldenburg, T. B. P. (2019). Applications of FTICR-MS in Oil Spill Studies. Deep Oil Spills, 253–268. doi:10.1007/978-3-030-11605-7_15 Date: inapplicable Aggregate Data Set Identifier: title: Related Publication DOI Identifier: Code: Anchor: xlink: https://dx.doi.org/10.1007/978-3-030-11605-7_15 title: DOI doi:10.1007/978-3-030-11605-7_15 Association Type: Association type code: crossReference Language: eng; USA Topic category: Topic category code: oceans Topic category: Topic category code: environment Extent: Extent: Geographic element: Geographic bounding box: West bound longitude: -87.89162 East bound longitude: -87.86773 South bound latitude: 28.97905 North bound latitude: 29.12278 Geographic element: BoundingPolygon: Polygon: gml:MultiPoint: gml:pointMember: Point: gml:pos: 28.97905 -87.89162 gml:pointMember: Point: gml:pos: 29.12278 -87.86773 Temporal element: Temporal extent: Extent: Time period: Description: ground condition Begin date: 2014-08-01 End date: 2014-08-31 Supplemental Information: The file titled “sampleIDs.xlsx” contains information about the core sample sites, including: Site name [DSH08 (29.122783, -87.867733), DSH10 (28.97905, -87.891617)], Average depth of the extruded sediment layer (mm), and the corresponding file name of peak listings. The directory titled “peak_listings” contains 20 individual Excel spreadsheets, each contains the exact m/z and the intensities of the peaks detected using FTICR-MS. Each file name contains the same numeric key found in the “sampleIDs.xlsx” file. For example, the file named “prg-13429-0-1-01-150807_000001_out.xls” contains the peak listings for a core sediment sample from sample location DSH10 with an average depth of 1 mm. The following are a list of data parameters found in the peak listing files. Peak Listing: Expt m/z – Exact mass to charge ratio of peaks detected using FTICR-MS (m/z); Mono Inty – Intensity of peaks detected using FTICR-MS; Meta: QC: Instrument Method – API_SourceType, API_Polarity, API_SyringeFlowRate, API_SyringeRateUnit, Calibration, NS, NS_status, Inst_Method, Operator, Method Sample Name, Run_date, Ionization_Mode_Name; QC: Processing – Method, Method Path, Baseline_cutoff, Baseline_low_score, Baseline_high_score; QC: Peaks – Peak_count, Total_peak_intensity, TIC, Peak_averaged_mass; QC: Calibration-Expected – Successful calibration points (Compound, Peak Mass, Compound Mass, Mass Difference, mDa Error, ppm Error, Intensity, Uncalibrated Mass, Score), Failed Calibration Points (None); QC: Groups – Class, Adduct, Score Item, Value, Score; Details: Specified Calibration Compounds – (Carbon #, Formula, Adduct, Charge, Calc m/z, Expt m/z, Mono Inty, Total Inty, Abs Error, mDa Error, ppm Error, Score Compound Score, Isotope frac, Group, DBE, Noise Sigma, Isotope Name, Mass, Peak intensity, Expected Intensity, Isotope Score); Baseline Equation; Peak Shape Sigma Equation; Peak Shape Gamma Equation; Generator Peak Listing – Compound, I, Cmpd Mass, Peak Mass, Score, Possible Cmpd, Mass Error (mDa), Possible Cmpd, Mass Error (mDa), Possible Cmpd, Mass Error (mDa); Failed (Unidentified) Generator Peaks – I/Noise Intensity, Mass, Closest Known Compound, Score, Mass Error, Reason; Low Score Peaks – Score, Compound, Calc Mass, Expt Mass, Intensity; Unused Peaks – Intensity/Noise, Intensity, Mass;|||||
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Distribution info: Distribution: Distributor: Distributor: Distributor contact: Responsible party: Organisation name: Gulf of Mexico Research Initiative Information and Data Cooperative (GRIIDC) Contact info: Contact: Phone: Telephone: Voice: 3618253604 Address: Address: Delivery point: 6300 Ocean Drive City: Corpus Christi Administrative area: TX Postal code: 78412 Country: USA Electronic mail address: griidc@gomri.org Online Resource: Online Resource: Linkage: URL: https://data.gulfresearchinitiative.org Role: Role code: distributor Distributor format: Format: Name: xlsx, xls Version: inapplicable File decompression technique: zip Distributor transfer options: Digital transfer options: Transfer size: 3.9731 Online: Online Resource: Linkage: URL: https://data.gulfresearchinitiative.org/data/R4.x267.179:0005 Protocol: https Name: Data Landing Page Description: GRIIDC dataset landing page Function: Online function code: information
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Metadata maintenance: Maintenance information: Maintenance and update frequency: unknown Maintenance note: This ISO metadata record was automatically generated from information provided to GRIIDC for dataset: R4.x267.179:0005 on 2021-06-18T10:33:23-05:00
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