Publication Date:
2023-01-13
Description:
Seawater samples were retrieved from depth using standard oceanographic sampling equipment and then collected by vacuum filtration onto 0.2 µm pore size Durapore membrane filters; these were frozen immediately at -80°C. 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., DGTS_DGTA 32:1), 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.
Keywords:
33LG20140101; Bellingshausen Sea; Bottle, Niskin 5-L; CTD/Rosette; CTD-RO; Date/Time of event; DEPTH, water; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 26:0; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 27:0; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 28:0; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 28:1; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 29:0; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 30:1; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 30:2; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 31:1; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 32:1; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 32:4; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 32:5; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 33:6; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 34:2; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 34:3; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 34:4; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 34:5; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 35:0; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 36:3; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 36:4; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 36:5; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 36:6; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 36:8; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 36:9; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 37:5; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 38:10; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 38:4; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 38:5; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 38:6; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 38:9; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 40:10; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 40:11; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 40:7; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 42:11; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 42:7; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 44:12; Digalactosyldiacylglycerol 30:0; Digalactosyldiacylglycerol 30:1; Digalactosyldiacylglycerol 30:2; Digalactosyldiacylglycerol 30:4; Digalactosyldiacylglycerol 32:1; Digalactosyldiacylglycerol 32:2; Digalactosyldiacylglycerol 32:3; Digalactosyldiacylglycerol 32:4; Digalactosyldiacylglycerol 32:5; Digalactosyldiacylglycerol 32:6; Digalactosyldiacylglycerol 32:7; Digalactosyldiacylglycerol 32:8; Digalactosyldiacylglycerol 34:1; Digalactosyldiacylglycerol 34:2; Digalactosyldiacylglycerol 34:3; Digalactosyldiacylglycerol 34:4; Digalactosyldiacylglycerol 34:5; Digalactosyldiacylglycerol 34:6; Digalactosyldiacylglycerol 34:7; Digalactosyldiacylglycerol 34:8; Digalactosyldiacylglycerol 34:9; Digalactosyldiacylglycerol 36:10; Digalactosyldiacylglycerol 36:4; Digalactosyldiacylglycerol 36:5; Digalactosyldiacylglycerol 36:6; Digalactosyldiacylglycerol 36:7; Digalactosyldiacylglycerol 36:8; Digalactosyldiacylglycerol 36:9; Digalactosyldiacylglycerol 38:9; Drake Passage; Event label; Latitude of event; Laurence M. Gould; LMG14-01; LMG14-01-CTD006-10; LMG14-01-CTD027-0; LMG14-01-CTD027-10; LMG14-01-CTD027-20; Longitude of event; Monogalactosyldiacylglycerol 28:0; Monogalactosyldiacylglycerol 30:0; Monogalactosyldiacylglycerol 30:1; Monogalactosyldiacylglycerol 30:2; Monogalactosyldiacylglycerol 30:3; Monogalactosyldiacylglycerol 30:4; Monogalactosyldiacylglycerol 30:5; Monogalactosyldiacylglycerol 31:3; Monogalactosyldiacylglycerol 32:0; Monogalactosyldiacylglycerol 32:1; Monogalactosyldiacylglycerol 32:2; Monogalactosyldiacylglycerol 32:3; Monogalactosyldiacylglycerol 32:4; Monogalactosyldiacylglycerol 32:5; Monogalactosyldiacylglycerol 32:6; Monogalactosyldiacylglycerol 32:7; Monogalactosyldiacylglycerol 32:8; Monogalactosyldiacylglycerol 34:1; Monogalactosyldiacylglycerol 34:2; Monogalactosyldiacylglycerol 34:3; Monogalactosyldiacylglycerol 34:4; Monogalactosyldiacylglycerol 34:5; Monogalactosyldiacylglycerol 34:6; Monogalactosyldiacylglycerol 34:7; Monogalactosyldiacylglycerol 34:8; Monogalactosyldiacylglycerol 34:9; Monogalactosyldiacylglycerol 36:10; Monogalactosyldiacylglycerol 36:2; Monogalactosyldiacylglycerol 36:3; Monogalactosyldiacylglycerol 36:6; Monogalactosyldiacylglycerol 36:7; Monogalactosyldiacylglycerol 36:8; Monogalactosyldiacylglycerol 36:9; Monogalactosyldiacylglycerol 38:10; Monogalactosyldiacylglycerol 38:7; Monogalactosyldiacylglycerol 38:8; Monogalactosyldiacylglycerol 38:9; Monogalactosyldiacylglycerol 40:10; Monogalactosyldiacylglycerol 40:2; Monogalactosyldiacylglycerol 43:2; Monogalactosyldiacylglycerol 44:2; Monogalactosyldiacylglycerol 46:7; Monogalactosyldiacylglycerol 47:3; Monogalactosyldiacylglycerol 48:8; Monogalactosyldiacylglycerol 50:3; Monogalactosyldiacylglycerol 52:3; NIS_5L; PAL1314-39-E-3; Phosphatidylcholine 27:1; Phosphatidylcholine 28:1; Phosphatidylcholine 29:0; Phosphatidylcholine 29:1; Phosphatidylcholine 30:0; Phosphatidylcholine 30:1; Phosphatidylcholine 30:4; Phosphatidylcholine 31:2; Phosphatidylcholine 31:3; Phosphatidylcholine 32:2; Phosphatidylcholine 34:1; Phosphatidylcholine 34:2; Phosphatidylcholine 34:3; Phosphatidylcholine 34:4; Phosphatidylcholine 34:5; Phosphatidylcholine 34:8; Phosphatidylcholine 36:10; Phosphatidylcholine 36:2; Phosphatidylcholine 36:3; Phosphatidylcholine 36:4; Phosphatidylcholine 36:5; Phosphatidylcholine 36:6; Phosphatidylcholine 36:7; Phosphatidylcholine 36:9; Phosphatidylcholine 37:4; Phosphatidylcholine 37:6; Phosphatidylcholine 38:1; Phosphatidylcholine 38:10; Phosphatidylcholine 38:5; Phosphatidylcholine 38:6; Phosphatidylcholine 38:7; Phosphatidylcholine 38:8; Phosphatidylcholine 38:9; Phosphatidylcholine 40:10; Phosphatidylcholine 40:11; Phosphatidylcholine 40:5; Phosphatidylcholine 40:6; Phosphatidylcholine 40:7; Phosphatidylcholine 40:8; Phosphatidylcholine 40:9; Phosphatidylcholine 42:10; Phosphatidylcholine 42:11; Phosphatidylcholine 42:6; Phosphatidylcholine 44:12; Phosphatidylethanolamine 26:0; Phosphatidylethanolamine 27:0; Phosphatidylethanolamine 28:0; Phosphatidylethanolamine 29:0; Phosphatidylethanolamine 29:1; Phosphatidylethanolamine 30:0; Phosphatidylethanolamine 30:1; Phosphatidylethanolamine 30:2; Phosphatidylethanolamine 31:1; Phosphatidylethanolamine 32:0; Phosphatidylethanolamine 32:1; Phosphatidylethanolamine 32:2; Phosphatidylethanolamine 32:3; Phosphatidylethanolamine 32:4; Phosphatidylethanolamine 33:6; Phosphatidylethanolamine 34:1; Phosphatidylethanolamine 34:2; Phosphatidylethanolamine 34:4;
Type:
Dataset
Format:
text/tab-separated-values, 1562 data points
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