Particulate intact polar diacylglycerol (IP-DAG) lipids measured in water column samples from the Drake Passage and Bellingshausen Sea

• Main Authors: Collins, James R, Ducklow, Hugh W, Marchetti, Adrian, Van Mooy, Benjamin A S
• Format: Dataset
• Language: English
• Published: PANGAEA - Data Publisher for Earth & Environmental Science 2017
• Subjects: Event label; Latitude of event; Longitude of event; Date/Time of event; DEPTH, water; Phosphatidylcholine 405; Sulfoquinovosyldiacylglycerol 447; Sulfoquinovosyldiacylglycerol 466; Sulfoquinovosyldiacylglycerol 402; Monogalactosyldiacylglycerol 432; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 350; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 407; Monogalactosyldiacylglycerol 342; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 342; Monogalactosyldiacylglycerol 473; Sulfoquinovosyldiacylglycerol 422; Sulfoquinovosyldiacylglycerol 380; Sulfoquinovosyldiacylglycerol 348; Digalactosyldiacylglycerol 327; Phosphatidylglycerol 348; Phosphatidylglycerol 369; Sulfoquinovosyldiacylglycerol 367; Sulfoquinovosyldiacylglycerol 325; Sulfoquinovosyldiacylglycerol 303; Phosphatidylethanolamine 349; Monogalactosyldiacylglycerol 328; Phosphatidylglycerol 368; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 281; Monogalactosyldiacylglycerol 302; Phosphatidylcholine 366; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 4412; Digalactosyldiacylglycerol 344; Monogalactosyldiacylglycerol 280; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 270; Phosphatidylglycerol 342; Phosphatidylcholine 387; Phosphatidylcholine 300; Phosphatidylethanolamine 320; Phosphatidylcholine 313; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 365; Phosphatidylcholine 364; Sulfoquinovosyldiacylglycerol 340; Sulfoquinovosyldiacylglycerol 382; Monogalactosyldiacylglycerol 442; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 384; Phosphatidylglycerol 321; Monogalactosyldiacylglycerol 322; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 345; Phosphatidylethanolamine 4412; Phosphatidylethanolamine 366; Monogalactosyldiacylglycerol 345; Phosphatidylethanolamine 409; Phosphatidylethanolamine 291; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 302; Phosphatidylcholine 345; Phosphatidylethanolamine 407; Monogalactosyldiacylglycerol 343; Monogalactosyldiacylglycerol 346; Monogalactosyldiacylglycerol 369; Monogalactosyldiacylglycerol 3810; Sulfoquinovosyldiacylglycerol 366; Sulfoquinovosyldiacylglycerol 4412; Phosphatidylglycerol 344; Sulfoquinovosyldiacylglycerol 302; Digalactosyldiacylglycerol 302; Digalactosyldiacylglycerol 346; Sulfoquinovosyldiacylglycerol 341; Phosphatidylethanolamine 301; Phosphatidylcholine 271; Phosphatidylethanolamine 311; Phosphatidylethanolamine 321; Phosphatidylethanolamine 344; Digalactosyldiacylglycerol 343; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 280; Sulfoquinovosyldiacylglycerol 448; Monogalactosyldiacylglycerol 304; Monogalactosyldiacylglycerol 349; Digalactosyldiacylglycerol 369; Phosphatidylglycerol 302; Phosphatidylglycerol 409; Monogalactosyldiacylglycerol 362; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 290; Monogalactosyldiacylglycerol 341; Monogalactosyldiacylglycerol 363; Phosphatidylcholine 406; Digalactosyldiacylglycerol 341; Digalactosyldiacylglycerol 347; Sulfoquinovosyldiacylglycerol 281; Sulfoquinovosyldiacylglycerol 323; Sulfoquinovosyldiacylglycerol 4211; Phosphatidylethanolamine 336; Monogalactosyldiacylglycerol 325; Sulfoquinovosyldiacylglycerol 334; Sulfoquinovosyldiacylglycerol 368; Sulfoquinovosyldiacylglycerol 304; Digalactosyldiacylglycerol 326; Monogalactosyldiacylglycerol 348; Digalactosyldiacylglycerol 349; Phosphatidylglycerol 389; Monogalactosyldiacylglycerol 305; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 344; Monogalactosyldiacylglycerol 300; Phosphatidylcholine 322; Phosphatidylcholine 376; Monogalactosyldiacylglycerol 320; Monogalactosyldiacylglycerol 402; Sulfoquinovosyldiacylglycerol 401; Sulfoquinovosyldiacylglycerol 381; Monogalactosyldiacylglycerol 467; Monogalactosyldiacylglycerol 488; Phosphatidylethanolamine 341; Phosphatidylcholine 426; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 321; Phosphatidylethanolamine 362; Phosphatidylcholine 341; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 363; Phosphatidylcholine 362; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 427; Sulfoquinovosyldiacylglycerol 360; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 260; Phosphatidylglycerol 311; Monogalactosyldiacylglycerol 367; Monogalactosyldiacylglycerol 4010; Phosphatidylcholine 4211; Monogalactosyldiacylglycerol 388; Phosphatidylcholine 409; Sulfoquinovosyldiacylglycerol 364; Phosphatidylcholine 3610; Phosphatidylcholine 4010; Monogalactosyldiacylglycerol 389; Phosphatidylcholine 367; Sulfoquinovosyldiacylglycerol 322; Monogalactosyldiacylglycerol 327; Sulfoquinovosyldiacylglycerol 324; Sulfoquinovosyldiacylglycerol 4010; Monogalactosyldiacylglycerol 324; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 4211; Phosphatidylethanolamine 270; Phosphatidylethanolamine 302; Phosphatidylcholine 281; Monogalactosyldiacylglycerol 344; Phosphatidylglycerol 362; Phosphatidylglycerol 341; Phosphatidylcholine 381; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 375; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 3810; Phosphatidylcholine 389; Phosphatidylglycerol 322; Sulfoquinovosyldiacylglycerol 301; Phosphatidylglycerol 323; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 368; Phosphatidylcholine 386; Digalactosyldiacylglycerol 300; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 4010; Sulfoquinovosyldiacylglycerol 386; Digalactosyldiacylglycerol 345; Phosphatidylethanolamine 324; Phosphatidylcholine 388; Sulfoquinovosyldiacylglycerol 365; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 336; Phosphatidylcholine 348; Phosphatidylethanolamine 4011; Phosphatidylethanolamine 300; Monogalactosyldiacylglycerol 323; Phosphatidylcholine 344; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 366; Monogalactosyldiacylglycerol 366; Monogalactosyldiacylglycerol 387; Digalactosyldiacylglycerol 301; Digalactosyldiacylglycerol 322; Phosphatidylethanolamine 280; Phosphatidylglycerol 331; Phosphatidylethanolamine 387; Phosphatidylcholine 408; Phosphatidylethanolamine 4411; Digalactosyldiacylglycerol 365; Phosphatidylglycerol 304; Sulfoquinovosyldiacylglycerol 345; Phosphatidylcholine 369; Monogalactosyldiacylglycerol 3610; Digalactosyldiacylglycerol 368; Monogalactosyldiacylglycerol 326; Digalactosyldiacylglycerol 328; Digalactosyldiacylglycerol 348; Phosphatidylglycerol 347; Phosphatidylglycerol 320; Phosphatidylcholine 374; Phosphatidylethanolamine 290; Phosphatidylglycerol 301; Sulfoquinovosyldiacylglycerol 280; Phosphatidylcholine 3810; Monogalactosyldiacylglycerol 301; Phosphatidylcholine 290; Sulfoquinovosyldiacylglycerol 389; Digalactosyldiacylglycerol 325; Digalactosyldiacylglycerol 3610; Phosphatidylglycerol 367; Phosphatidylglycerol 4011; Phosphatidylcholine 363; Phosphatidylethanolamine 322; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 301; Phosphatidylcholine 365; Digalactosyldiacylglycerol 364; Phosphatidylcholine 291; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 385; Phosphatidylethanolamine 342; Phosphatidylcholine 312; Sulfoquinovosyldiacylglycerol 446; Phosphatidylcholine 385; Phosphatidylcholine 342; Monogalactosyldiacylglycerol 321; Sulfoquinovosyldiacylglycerol 321; Phosphatidylethanolamine 4211; Digalactosyldiacylglycerol 366; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 324; Digalactosyldiacylglycerol 323; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 4011; Sulfoquinovosyldiacylglycerol 343; Phosphatidylethanolamine 386; Digalactosyldiacylglycerol 321; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 343; Phosphatidylcholine 407; Phosphatidylglycerol 300; Phosphatidylcholine 4412; Sulfoquinovosyldiacylglycerol 331; Phosphatidylethanolamine 323; Phosphatidylcholine 4210; Phosphatidylethanolamine 369; Sulfoquinovosyldiacylglycerol 388; Phosphatidylethanolamine 4010; Sulfoquinovosyldiacylglycerol 290; Phosphatidylcholine 4011; Digalactosyldiacylglycerol 367; Phosphatidylglycerol 280; Monogalactosyldiacylglycerol 368; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 325; Phosphatidylethanolamine 260; Phosphatidylethanolamine 346; Phosphatidylglycerol 290; Phosphatidylethanolamine 398; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 386; Digalactosyldiacylglycerol 342; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 364; Monogalactosyldiacylglycerol 303; Monogalactosyldiacylglycerol 347; Phosphatidylethanolamine 3810; Digalactosyldiacylglycerol 389; Sulfoquinovosyldiacylglycerol 300; Sulfoquinovosyldiacylglycerol 344; Phosphatidylcholine 301; Monogalactosyldiacylglycerol 313; Sulfoquinovosyldiacylglycerol 320; Phosphatidylethanolamine 345; Sulfoquinovosyldiacylglycerol 310; Phosphatidylcholine 304; Phosphatidylglycerol 343; Sulfoquinovosyldiacylglycerol 376; Monogalactosyldiacylglycerol 503; Sulfoquinovosyldiacylglycerol 438; Monogalactosyldiacylglycerol 523; Digalactosyldiacylglycerol 324; Digalactosyldiacylglycerol 304; Sulfoquinovosyldiacylglycerol 3810; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 389; Sulfoquinovosyldiacylglycerol 369; Phosphatidylcholine 343; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 311; Sulfoquinovosyldiacylglycerol 428; Diacylglyceryl trimethylhomoserine and diacylglyceryl hydroxymethyl-trimethyl-beta-alanine 369; Phosphatidylglycerol 282; CTD/Rosette; Bottle, Niskin 5-L; 33LG20140101; Laurence M. Gould; Drake Passage; Bellingshausen Sea; Dyer
• Online Access: https://dx.doi.org/10.1594/pangaea.879618; https://doi.pangaea.de/10.1594/PANGAEA.879618

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.