. 2013 Sep 5;8(9):e72415. doi: 10.1371/journal.pone.0072415

Table 1. Identification of lipid species from D. tertiolecta by ESI-tandem mass spectrometry equipped with an automated nanoinfusion/nanospray source.

No.	Lipid molecular species^a (total acyl carbons: total double bonds)	Proposed composition	Ion mode	Ion species	Nominal mass used in lipid profiling	Theoret-ical exact mass (Da)	Element composition
1	DGTS 30∶2	C 16∶0/14∶2	(+)	[M + H]⁺	680	680.5465	C₄₀H₇₄O₇N⁺
2	DGTS 32∶4	C 16∶0/16∶4	(+)	[M + H]⁺	705	704.5465	C₄₂H₇₄O₇N⁺
3	DGTS 32∶2	C 16∶0/16∶2	(+)	[M + H]⁺	709	708.5778	C₄₂H₇₈O₇N⁺
4	DGTS 34∶4	C 18∶4/16∶0	(+)	[M + H]⁺	733	732.5778	C₄₄H₇₈O₇N⁺
5	DGTS 34∶3	C 18∶3/16∶0	(+)	[M + H]⁺	735	734.5935	C₄₄H₈₀O₇N⁺
6	DGTS 34∶2	C 18∶2/16∶0	(+)	[M + H]⁺	737	736.6091	C₄₄H₈₂O₇N⁺
7	DGTS 34∶1	C 18∶1/16∶0	(+)	[M + H]⁺	739	738.36248	C₄₄H₈₄O₇N⁺
8	DGTS 36∶6	C 18∶3/18∶3	(+)	[M + H]⁺	757	756.5778	C₄₆H₇₈O₇N⁺
9	DGTS 36∶5	C 18∶2/18∶3	(+)	[M + H]⁺	759	758.5935	C₄₆H₈₀O₇N⁺
10	DGTS 36∶4	C 18∶2/18∶2	(+)	[M + H]⁺	761	760.6091	C₄₆H₈₂O₇N⁺
11	DGTS 36∶3	C 18∶1/18∶2	(+)	[M + H]⁺	762	762.6248	C₄₆H₈₄O₇N⁺
12	DGTS 36∶2	C 18∶1/18∶1, C18∶2/C18∶0	(+)	[M + H]⁺	765	764.6404	C₄₆H₈₆O₇N⁺
13	LysoDGTS 16∶0	C 16∶0	(+)	[M + H]⁺	475	474.3795	C₂₆H₅₂O₆N⁺
14	LysoDGTS 18∶3	C18∶3	(+)	[M + H]⁺	497	496.3638	C₂₈H₅₀O₆N⁺
15	MGDG 34∶7	C 18∶3/16∶4	(+)	[M + Na]⁺	768	767.4710	C₄₃H₆₈O₁₀Na⁺
			(−)	[M + OAc]⁻	804	803.4946	C₄₅H₇₁O₁₂ ⁻
16	MGDG 34∶6	C 18∶3/16∶3	(−)	[M + OAc]⁻	806	805.5102	C₄₅H₇₃O₁₂ ⁻
17	DGDG 34∶7	C 18∶3/16∶4	(+)	[M + Na]⁺	930	929.5238	C₄₉H₇₈O₁₅Na⁺
18	DGDG 34∶6	C 18∶3/16∶3	(+)	[M + Na]⁺	932	931.5395	C₄₉H₈₀O₁₅Na⁺
19	DGDG 34∶5	C 18∶3/16∶2	(+)	[M + Na]⁺	935	933.5551	C₄₉H₈₂O₁5Na⁺
20	DGDG 34∶4	C 18∶4/16∶0, C18∶3/16∶1, C18∶2.16∶2, C18∶1/16∶3	(+)	[M + Na]⁺	936	935.5708	C₄₉H₈₄O₁₅Na⁺
21	DGDG 34∶3	C 18∶3/16∶0	(+)	[M + Na]⁺	938	937.5864	C₄₉H₈₆O₁₅Na⁺
22	DGDG 34∶2	C 18∶2/16∶0	(+)	[M + Na]⁺	940	939.6021	C₄₉H₈₈O₁₅Na⁺
23	SQDG 32∶0	C 16∶0/16∶0	(−)	[M – H]⁻	794	793.5136	C₄₁H₇₇O₁₂ S⁻
24	SQDG 34∶3	C 18∶3/16∶0	(−)	[M – H]⁻	816	815.4972	C₄₃H₇₅O₁₂ S⁻
25	SQDG 34∶2	C 18∶2/16∶0	(−)	[M – H]⁻	818	817.5136	C₄₃H₇₇O₁₂ S⁻
26	SQDG 34∶1	C 18∶1/16∶0	(−)	[M – H]⁻	820	819.5292	C₄₃H₇₉O₁₂ S⁻
27	PI 34∶1	C 18∶1/16∶0	(−)	[M – H]⁻	836	835.5337	C₄₃H₈₀O₁₃ P⁻
28	PG 34∶3	C 18∶3/16∶0	(−)	[M – H]⁻	744	743.4863	C₄₀H₇₂O₁₀ P⁻
29	PG 34∶2	C 18∶1/16∶1	(−)	[M – H]⁻	746	745.5020	C₄₀H₇₄O₁₀ P⁻

DGTS, diacylglyceryltrimethylhomoserine; MGDG, monogalactosyldiacylglycerol; DGDG, digalactosyldiacylglycerol; SQDG, sulfoquinovosyldiacylglycerol; PI, phosphatidylinositol; PG, phosphatidylglycerol.