Publication Date:
2023-01-13
Description:
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.
Keywords:
Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 30:0; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 30:1; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 32:2; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 33:5; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 34:5; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 36:6; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 40:10; Digalactosyldiacylglycerol 30:0; Digalactosyldiacylglycerol 30:1; Digalactosyldiacylglycerol 30:2; Digalactosyldiacylglycerol 30:4; Digalactosyldiacylglycerol 31:3; Digalactosyldiacylglycerol 32:1; Digalactosyldiacylglycerol 32:2; Digalactosyldiacylglycerol 32:3; Digalactosyldiacylglycerol 32:4; Digalactosyldiacylglycerol 32:5; Digalactosyldiacylglycerol 32:6; Digalactosyldiacylglycerol 32:7; Digalactosyldiacylglycerol 34:2; Digalactosyldiacylglycerol 34:3; Digalactosyldiacylglycerol 34:6; Digalactosyldiacylglycerol 34:7; Digalactosyldiacylglycerol 36:2; Digalactosyldiacylglycerol 36:4; Digalactosyldiacylglycerol 36:5; Digalactosyldiacylglycerol 36:6; Digalactosyldiacylglycerol 36:7; Digalactosyldiacylglycerol 36:8; Digalactosyldiacylglycerol 36:9; Digalactosyldiacylglycerol 37:8; Digalactosyldiacylglycerol 38:9; Monitoring station; Monogalactosyldiacylglycerol 30:0; Monogalactosyldiacylglycerol 30:1; Monogalactosyldiacylglycerol 30:2; Monogalactosyldiacylglycerol 30:3; Monogalactosyldiacylglycerol 30:4; 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 34:0; 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 36:10; Monogalactosyldiacylglycerol 36:5; Monogalactosyldiacylglycerol 36:6; Monogalactosyldiacylglycerol 36:7; Monogalactosyldiacylglycerol 36:8; Monogalactosyldiacylglycerol 36:9; Monogalactosyldiacylglycerol 38:10; Monogalactosyldiacylglycerol 38:3; Monogalactosyldiacylglycerol 38:7; Monogalactosyldiacylglycerol 38:8; Monogalactosyldiacylglycerol 38:9; Monogalactosyldiacylglycerol 40:10; Monogalactosyldiacylglycerol 40:4; Monogalactosyldiacylglycerol 40:8; Monogalactosyldiacylglycerol 40:9; Monogalactosyldiacylglycerol 42:10; Monogalactosyldiacylglycerol 42:11; Monogalactosyldiacylglycerol 42:2; Monogalactosyldiacylglycerol 42:3; Monogalactosyldiacylglycerol 42:4; Monogalactosyldiacylglycerol 44:10; Monogalactosyldiacylglycerol 44:12; Monogalactosyldiacylglycerol 44:3; Monogalactosyldiacylglycerol 44:4; Monogalactosyldiacylglycerol 44:5; Monogalactosyldiacylglycerol 44:6; MONS; Palmer_station; Phosphatidylcholine 28:0; Phosphatidylcholine 30:0; Phosphatidylcholine 30:1; Phosphatidylcholine 30:2; Phosphatidylcholine 30:3; Phosphatidylcholine 32:0; Phosphatidylcholine 32:1; Phosphatidylcholine 32:2; Phosphatidylcholine 32:3; Phosphatidylcholine 32:4; Phosphatidylcholine 32:5; Phosphatidylcholine 32:7; Phosphatidylcholine 32:8; Phosphatidylcholine 33:5; Phosphatidylcholine 34:1; Phosphatidylcholine 34:2; Phosphatidylcholine 34:3; Phosphatidylcholine 34:4; Phosphatidylcholine 34:5; Phosphatidylcholine 34:6; Phosphatidylcholine 34:7; Phosphatidylcholine 34:8; Phosphatidylcholine 35:4; Phosphatidylcholine 35:6; Phosphatidylcholine 36:2; Phosphatidylcholine 36:3; Phosphatidylcholine 36:4; Phosphatidylcholine 36:5; Phosphatidylcholine 36:6; Phosphatidylcholine 36:7; Phosphatidylcholine 36:8; Phosphatidylcholine 36:9; Phosphatidylcholine 37:2; Phosphatidylcholine 37:6; Phosphatidylcholine 38:10; Phosphatidylcholine 38:2; Phosphatidylcholine 38:5; Phosphatidylcholine 38:6; Phosphatidylcholine 38:7; Phosphatidylcholine 38:8; Phosphatidylcholine 38:9; Phosphatidylcholine 39:7; Phosphatidylcholine 40:10; Phosphatidylcholine 40:7; Phosphatidylcholine 40:8; Phosphatidylcholine 40:9; Phosphatidylcholine 42:10; Phosphatidylcholine 42:11; Phosphatidylcholine 42:9; Phosphatidylcholine 44:10; Phosphatidylcholine 44:12; Phosphatidylethanolamine 29:0; Phosphatidylethanolamine 30:0; Phosphatidylethanolamine 30:1; Phosphatidylethanolamine 30:2; Phosphatidylethanolamine 30:3; Phosphatidylethanolamine 31:0; Phosphatidylethanolamine 31:1; Phosphatidylethanolamine 31:2; Phosphatidylethanolamine 31:3; Phosphatidylethanolamine 31:4; Phosphatidylethanolamine 32:0; Phosphatidylethanolamine 32:1; Phosphatidylethanolamine 32:2; Phosphatidylethanolamine 32:3; Phosphatidylethanolamine 32:4; Phosphatidylethanolamine 33:0; Phosphatidylethanolamine 33:1; Phosphatidylethanolamine 33:2; Phosphatidylethanolamine 33:4; Phosphatidylethanolamine 33:5; Phosphatidylethanolamine 34:1; Phosphatidylethanolamine 34:2; Phosphatidylethanolamine 34:3; Phosphatidylethanolamine 34:4; Phosphatidylethanolamine 34:5; Phosphatidylethanolamine 34:6; Phosphatidylethanolamine 35:5; Phosphatidylethanolamine 35:6; Phosphatidylethanolamine 36:2; Phosphatidylethanolamine 36:3; Phosphatidylethanolamine 36:7; Phosphatidylethanolamine 36:9; Phosphatidylethanolamine 38:8; Phosphatidylethanolamine 38:9; Phosphatidylethanolamine 40:10; Phosphatidylethanolamine 40:9; Phosphatidylethanolamine 42:11; Phosphatidylethanolamine 42:3; Phosphatidylethanolamine 44:9; Phosphatidylglycerol 28:0; Phosphatidylglycerol 29:0; Phosphatidylglycerol 30:0; Phosphatidylglycerol 30:1; Phosphatidylglycerol 30:2; Phosphatidylglycerol 30:3; Phosphatidylglycerol 30:4; Phosphatidylglycerol 31:0; Phosphatidylglycerol 31:2; Phosphatidylglycerol 32:0; Phosphatidylglycerol 32:1; Phosphatidylglycerol 32:2; Phosphatidylglycerol 32:3; Phosphatidylglycerol 32:4; Phosphatidylglycerol 32:5; Phosphatidylglycerol 32:6; Phosphatidylglycerol 32:7; Phosphatidylglycerol 32:8; Phosphatidylglycerol 33:2; Phosphatidylglycerol 33:4; Phosphatidylglycerol 34:0; Phosphatidylglycerol 34:2; Phosphatidylglycerol 34:3; Phosphatidylglycerol 34:5; Phosphatidylglycerol 34:6; Phosphatidylglycerol 34:7; Phosphatidylglycerol 34:8; Phosphatidylglycerol 34:9; Phosphatidylglycerol 36:2; Phosphatidylglycerol 36:5; Phosphatidylglycerol 36:6; Phosphatidylglycerol 36:7; Phosphatidylglycerol 37:2; Phosphatidylglycerol 38:10; Phosphatidylglycerol 40:10; Phosphatidylglycerol 40:8; Phosphatidylglycerol 42:11; Phosphatidylglycerol 44:12; Species; Strain; Sulfoquinovosyldiacylglycerol 28:0; Sulfoquinovosyldiacylglycerol 29:0; Sulfoquinovosyldiacylglycerol 30:0; Sulfoquinovosyldiacylglycerol 30:1; Sulfoquinovosyldiacylglycerol 30:2; Sulfoquinovosyldiacylglycerol 30:3; Sulfoquinovosyldiacylglycerol 30:4; Sulfoquinovosyldiacylglycerol 31:0; Sulfoquinovosyldiacylglycerol 31:1; Sulfoquinovosyldiacylglycerol 31:3; Sulfoquinovosyldiacylglycerol 31:4; Sulfoquinovosyldiacylglycerol 32:0; Sulfoquinovosyldiacylglycerol 32:1; Sulfoquinovosyldiacylglycerol 32:2; Sulfoquinovosyldiacylglycerol 32:3; Sulfoquinovosyldiacylglycerol 32:4; Sulfoquinovosyldiacylglycerol 32:5; Sulfoquinovosyldiacylglycerol 32:6; Sulfoquinovosyldiacylglycerol 32:7; Sulfoquinovosyldiacylglycerol 33:1; Sulfoquinovosyldiacylglycerol 33:3; Sulfoquinovosyldiacylglycerol 33:4; Sulfoquinovosyldiacylglycerol 33:5; Sulfoquinovosyldiacylglycerol 34:0; Sulfoquinovosyldiacylglycerol 34:1; Sulfoquinovosyldiacylglycerol 34:2; Sulfoquinovosyldiacylglycerol 34:3; Sulfoquinovosyldiacylglycerol 34:4; Sulfoquinovosyldiacylglycerol 34:5; Sulfoquinovosyldiacylglycerol 34:6; Sulfoquinovosyldiacylglycerol 34:7;
Type:
Dataset
Format:
text/tab-separated-values, 1251 data points
