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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 Review Available
3 3 3 3

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

Dataset Downloads:

2

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: 
      2018-08-11T13:34:23+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: 2016-01-04 Date type: Date type code: publication 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: Postdoctoral Researcher 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 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
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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 2018-09-26T13:21:29+00:00
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