Intact polar diacylglycerol (IP-DAG) lipids measured in cultures of four Antarctic diatom isolates

DOI

Diatoms were isolated by Adrian Marchetti (http://orcid.org/0000-0003-4608-4775) from waters of the Bellingshausen Sea and grown on replete media. Cells were collected onto 0.7 µm GF/F filters. Extraction was performed using a modified Bligh and Dyer (Bligh and Dyer, 1959; https://doi.org/10.1139/o59-099) method described in Popendorf et al. (2013; https://doi.org/10.1007/s11745-012-3748-0). Lipid extracts were analyzed by HPLC-ESI-MS with data dependent-MS2 acquisition on a high-resolution, accurate mass Thermo Q Exactive Hybrid Quadrupole-Orbitrap mass spectrometer (ThermoFisher Scientific, Waltham, MA, USA) coupled to an Agilent 1200 HPLC system (Agilent, Santa Clara, CA, USA). The HPLC-ESI-MS method is described in Collins et al., 2016 (https://doi.org/10.1021/acs.analchem.6b01260). The LOBSTAHS lipidomics discovery software (Collins et al., 2016; https://doi.org/10.1021/acs.analchem.6b01260) was used to putatively identify HPLC-MS features in the data. We confirmed each LOBSTAHS identification using two additional means: (1) via comparison of data-dependent MS2 spectra with those from authentic standards or published reference spectra and (2) by requiring the presence of the same compound identity in data acquired in the opposite HPLC-ESI-MS ionization mode. We confirmed all LOBSTAHS identities at the lipid class level (e.g., PC versus PE, or MGDG versus TAG) using a new, experimental LOBSTAHS feature which automatically detects diagnostic product ion fragments and constant neutral losses (as given in Popendorf et al., 2013; https://doi.org/10.1007/s11745-012-3748-0) in the available data-dependent MS2 spectra for each sample. After identification, quantification of analytes was performed using a series of standard curves, followed by normalization to concentration of an internal standard.Lipid identities are resolved only to the level of bulk fatty acid composition (i.e., the sum of the properties of the substituents at both the sn-1 and sn-2 positions). As a result, in some cases (e.g., PC 40:8), several different molecules having the same bulk fatty acid composition have been identified. These can be distinguished by retention time, which is given in the "Comment" field for each entry.

Identifier
DOI https://doi.org/10.1594/PANGAEA.879617
Related Identifier https://doi.org/10.1594/PANGAEA.879582
Related Identifier https://doi.org/10.1016/j.gca.2018.04.030
Metadata Access https://ws.pangaea.de/oai/provider?verb=GetRecord&metadataPrefix=datacite4&identifier=oai:pangaea.de:doi:10.1594/PANGAEA.879617
Provenance
Creator Collins, James R ORCID logo; Ducklow, Hugh W; Marchetti, Adrian ORCID logo; Van Mooy, Benjamin A S
Publisher PANGAEA
Publication Year 2017
Rights Creative Commons Attribution 3.0 Unported; https://creativecommons.org/licenses/by/3.0/
OpenAccess true
Representation
Resource Type Dataset
Format text/tab-separated-values
Size 1251 data points
Discipline Earth System Research
Spatial Coverage (-64.050 LON, -64.767 LAT)