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Dataset for: Photochemical changes in water accommodated fractions of MC252 and surrogate oil created during solar exposure as determined by FT-ICR MS

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

DOI:
10.7266/N75B00F7
 
UDI:
R4.x267.181:0007
Last Update:
Jul 19 2016 20:41 UTC
 
Dataset Author(s):
Vaughan, Pamela and Jeffrey, Wade
Point of Contact:
Vaughan, Pamela

11000 University Pkwy.
Pensacola, FL  32514
USA
pvaughan@uwf.edu
Funding Source:
RFP-IV
 
Extent Description:
Dataset contains laboratory measurements of photochemical weathering of petroleum, no field sampling involved.

Identified Submitted Metadata Available
3 3 3 3

Abstract:

Samples analyzed for this dataset were prepared in summer 2014 at the University of West Florida. Both surrogate and Macondo (MC252) crude oils were exposed to solar radiation during the formation of Water Accommodated Fractions (WAF) in sterile seawater. Samples were incubated with various light exposures (full sunlight, Photosynthetically Active Radiation [PAR] only), or in darkness over the course of a week. Samples were extracted using dichloromethane and analyzed at the National High Magnetic Field Laboratory in Tallahassee, FL. Positive and negative electrospray ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) analyses was performed for each extract. The metadata contained in this dataset represent the processed excel files for ESI analysis for each sample. These were used to create the comparison plots in the original manuscript.

Purpose:

The dataset was developed to compare photochemical changes in water accommodated fractions made from MC252 and surrogate oil.

Theme Keywords:

Water Accommodated Fractions, MC252, Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, WAF, FT-ICR MS, Photosynthetically Active Radiation, PAR

File Format:

xls

Dataset Downloads:

1

Dataset for: Photochemical changes in water accommodated fractions of MC252 and surrogate oil created during solar exposure as determined by FT-ICR MS



Identification Information
Distribution Information
Metadata Maintenance Information

Metadata: 
  File identifier: 
      R4.x267.181-0007-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
      Position name: 
          GIS Analyst
      Contact info: 
        Contact: 
          Phone: 
            Telephone: 
              Voice: 
                  813-974-2852
              Facsimile: 
          Address: 
            Address: 
              Delivery point: 
                  4202 E. Fowler Ave.
                  LIB122
              City: 
                  Tampa
              Administrative area: 
                  FL
              Postal code: 
                  33620
              Country: 
                  USA
              Electronic mail address: 
                  rwmcken2@usf.edu
      Role: 
        Role code: 
          pointOfContact
  Date stamp: 
      2016-07-21T12:58:34-05:00
  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.x267.181:0007
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Identification info: Data identification: Citation: Citation: Title: Dataset for: Photochemical changes in water accommodated fractions of MC252 and surrogate oil created during solar exposure as determined by FT-ICR MS Alternate title: Date: Date: Date: 2016-01-09 Date type: Date type code: publication Abstract: Samples analyzed for this dataset were prepared in summer 2014 at the University of West Florida. Both surrogate and Macondo (MC252) crude oils were exposed to solar radiation during the formation of Water Accommodated Fractions (WAF) in sterile seawater. Samples were incubated with various light exposures (full sunlight, Photosynthetically Active Radiation [PAR] only), or in darkness over the course of a week. Samples were extracted using dichloromethane and analyzed at the National High Magnetic Field Laboratory in Tallahassee, FL. Positive and negative electrospray ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) analyses was performed for each extract. The metadata contained in this dataset represent the processed excel files for ESI analysis for each sample. These were used to create the comparison plots in the original manuscript. Purpose: The dataset was developed to compare photochemical changes in water accommodated fractions made from MC252 and surrogate oil. Status: Progress code: completed Point of contact: Responsible party: Individual name: Pamela Pippin Vaughan Organisation name: University of West Florida, Chemistry Department Position name: Associate Professor Contact info: Contact: Phone: Telephone: Voice: 850-474-3152 Facsimile: Address: Address: Delivery point: 11000 University Parkway, Bldg. 58, rm. 3 City: Pensacola Administrative area: FL Postal code: 32514 Country: USA Electronic mail address: pvaughan@uwf.edu Role: Role code: principalInvestigator Descriptive keywords: Keywords: Keyword: Water Accommodated Fractions Keyword: MC252 Keyword: Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Keyword: WAF Keyword: FT-ICR MS Keyword: Photosynthetically Active Radiation Keyword: PAR Type: Keyword type code: theme Descriptive keywords: Keywords: Keyword: inapplicable Type: Keyword type code: place Language: eng; USA Topic category: Topic category code: environment Topic category: Topic category code: oceans Extent: Extent: Description: Dataset contains laboratory measurements of photochemical weathering of petroleum, no field sampling involved. Supplemental Information: The following is a list of attributes found in the dataset: Class (Heteroatom Class); Number of peaks (Number of peaks in mass spectrum detected above six times the baseline root-mean-square noise level); % Total (Total number of peaks (%)); % Total-No Hits discarded (Total number of peaks assigned with no-hits discarded (%)); Exp. m/z (Experimental Mass-to-Charge Ratio); Recal m/z (Recalibrated Mass-to-Charge Ratio); Theor. Mass (the mass of the molecular ion, calculated as the sum of the mass of each constituent atom multiplied by the number of atoms of that element in the molecular formula); R. Abudance (Relative abundance (%)); A.W. average DBE (Average Double Bond Equivalent (DBE = number of rings plus double bonds to carbon, calculated from the elemental composition); A.W. average H/C (Relative abundance weighted Average Hydrogen-to-Carbon Ratio); H/C (Atomic Hydrogen-to-Carbon Ratio); A.W. average N/C (Relative- Abundance weighted Average Nitrogen-to-Carbon Ratio); N/C (Atomic Nitrogen-to-Carbon Ratio per hit); A.W. average O/C (relative abundance weighted-Average Oxygen-to-Carbon Ratio); O/C (atomic Oxygen-to-Carbon Ratio per hit); A.M.W. average (relative average molecular weight (amu)); A.W. average C# (relative Average aromatic cluster size); DBE (Double Bond Equivalent: the number of rings plus double bonds to carbon, calculated from the elemental composition); Additional information about lab conditions for each file in the dataset can be found in the file names. This includes: electrospray ionization method (negative ESI or positive ESI), oil type (MC252, Surrogate), light exposure type [Dark, Full Sun, Photosynthetically Active Radiation (PAR)], and Experiment Day [T1 (Day 1), T2 (Day 6)]. For example, a file titled “NegESI_Surrogate_PAR_Day6” would contain data collected from Surrogate Oil on Day 6 of exposure to Photosynthetically Active Radiation by using Negative ESI Mass Spectrometry. Note: results generated using Positive ESI Mass Spectrometry methods in this dataset were only provided for surrogate oil samples. |||||
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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) Position name: Contact info: Contact: Phone: Telephone: Voice: +1-361-825-3604 Facsimile: +1-361-825-2050 Address: Address: Delivery point: 6300 Ocean Drive Unit 5869 City: Corpus Christi Administrative area: Texas Postal code: 78412-5869 Country: USA Electronic mail address: griidc@gomri.org Online Resource: Online Resource: Linkage: URL: http://data.gulfresearchinitiative.org Protocol: Role: Role code: distributor Distributor format: Format: Name: xls Version: inapplicable File decompression technique: zip Distributor transfer options: Digital transfer options: Transfer size: 20.5 Online: Online Resource: Linkage: URL: https://data.gulfresearchinitiative.org/data/R4.x267.181:0007 Protocol:
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Metadata maintenance: Maintenance information: Maintenance and update frequency: unknown Maintenance note: This ISO metadata record was automatically generated by the GRIIDC Metadata Generator from DIF and Registry information provided to GRIIDC for dataset: R4.x267.181:0007 on 2016-07-07T20:52:30+00:00 Maintenance note: This ISO metadata record was created using the 'Save to File' (no form validation) function of the GRIIDC ISO 19115-2 Metadata Editor on 2016-07-07T21:52:42+00:00 Maintenance note: This ISO metadata record was created using the 'Check and Save to File' (with form validation) function of the GRIIDC ISO 19115-2 Metadata Editor on 2016-07-12T23:44:56+00:00 Maintenance note: This ISO metadata record was created using the 'Check and Save to File' (with form validation) function of the GRIIDC ISO 19115-2 Metadata Editor on 2016-07-19T20:34:54+00:00
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