Abstract:

This dataset contains exact mass-to-charge ratio (m/z) and monoisotopic intensity peaks detected in the southern Gulf of Mexico sediment extracts using a Fourier transform ion cyclotron mass spectrometry (FTICR-MS) with atmospheric pressure photoionization in positive mode. The instrument used was manufactured by Bruker Daltonics; Model: Solarix, 12T. A 25 µl of 10 mg/mL toluene stock solutions of the total lipid extracts of sediment was diluted to a total concentration of 200 µl and directly infused to the ionization source via syringe at 200 µl/hour flow rate. The analysis was performed on a sediment core (IWX500) collected aboard the R/V Justo Sierra cruise JS-0815 in the Gulf of Mexico on 2015-08-06 at 1010 m water depth. The sediment core was sectioned into five depth intervals (0-5, 68-70, 70-72, 72-74, 195-200 mm). The R/V Justo Sierra cruise JS-0815 was led by chief scientists Dr. David Hollander and Dr. Patrick Schwing. The goal of this cruise was to characterize the distribution and fate of oiled sediment at sites on the continental shelf and slope of the southern Gulf of Mexico with reference to the Ixtoc blowout (1979-1980).

Suggested Citation:

Jagos Radovic. 2019. Mass-to-charge ratio (m/z) and monoisotopic intensity from a sediment core collected aboard the R/V Justo Sierra cruise JS-0815 in the southern Gulf of Mexico on 2015-08-06. Distributed by: GRIIDC, Harte Research Institute, Texas A&M University–Corpus Christi. doi:10.7266/n7-dya3-dj37

Publications:

Lincoln, S. A., Radović, J. R., Gracia, A., Jaggi, A., Oldenburg, T. B. P., Larter, S. R., & Freeman, K. H. (2019). Molecular Legacy of the 1979 Ixtoc 1 Oil Spill in Deep-Sea Sediments of the Southern Gulf of Mexico. Deep Oil Spills, 312–327. doi:10.1007/978-3-030-11605-7_19

Purpose:

Characterize the organic extracts of the southern Gulf of Mexico sediments.

Data Parameters and Units:

All excel files are from the same sediment core (IXW500, 19.44415 N and 93.88871 W) collected on 2015-08-06 at 1010m water depth. Each file represents a section of the sediment core and the file name contain the depth interval in millimeters. Expt m/z (experimentally derived mass-to-charge ratio) is a dimensionless quantity formed by dividing the mass number of detected ions by its charge number. Monoisotopic intensity (Mono Inty) is the peak height of the most abundant isotopolog. The Excel spreadsheet includes all the instrument metadata. There was no overflow from the experiment, therefore the spreadsheet labelled “overflow” is empty. Columns X and all subsequent columns (both in “details” and “failed groups” tabs) are the various instances of different isotopes evaluation, with the repeating series of columns denoting: Isotope Name Mass Peak Intensity Expected Intensity Isotope Score. The term “Recalibration” in the Details spreadsheet (Row 4-10) is the polynomial equations used for the calibration of the FTMS spectra. DBE means Double Bond Equivalent. Empty cells mean no data is available.

Methods:

Fourier transform ion cyclotron mass spectrometry with atmospheric pressure photoionization in positive mode has been used to generate the data. 25 µl of 10 mg/mL toluene stock solutions of the total lipid extracts of sediment was diluted to a total concentration of 200 µl and directly infused to the ionization source via syringe at 200 µl/hour flow rate.

Instruments:

Fourier transform ion cyclotron mass spectrometry with atmospheric pressure photoionization in positive mode. The instrument used was manufactured by Bruker Daltonics; Model: Solarix, 12T.

Individual Files: