Qualitative and Quantitative Analyses of Polar Glycerolipids in Chlamydomonas reinhardtii based on LC-MS Techniques

doi:10.11983/CBB17179

Abstract

Abstract: The polar glycerolipidome of the model algal strain Chlamydomonas reinhardtii was analyzed qualitatively and quantitatively by using liquid chromatography coupled with mass spectrometry (LC-MS). Based on UPLC-ESI-Q-Trap/MS and UPLC-ESI-Orbitrap/MS², MS scanning, including neutral loss or precursor ion scanning, and MS/MS scanning were used to identify 109 molecular species possessing distinct mass-to-charge ratios and acyl chains. Targeted quantitative analyses based on external standards with UPLC-ESI-Q-Trap/MS in multiple reactions monitoring (MRM) mode was used to analyze individual molecular species. The results indicated that the glycerolipids of C. reinhardtii mainly included glycolipids (i.e., MGDG and DGDG) and betaine lipid, DGTS. In addition, analysis of fatty acyl constituents of all polar membrane lipids revealed that DGDG, SQDG, DGTS and PI acted as carriers for desaturation of C18 fatty acids. This study established a platform for characterizing the structure spectra and quantitative analysis with LC-MS techniques for C. reinhardtii, which provides a useful tool for studies of the biological function of polar membrane lipids and lipid metabolism in microalgae.

Key words: Chlamydomonas reinhardtii, LC-MS technique, polar glycerolipids, qualitative and quantitative analyses

Yang Miao, Meng Yingying, Chu Yadong, Xue Song. Qualitative and Quantitative Analyses of Polar Glycerolipids in Chlamydomonas reinhardtii based on LC-MS Techniques[J]. Chinese Bulletin of Botany, 2018, 53(6): 812-828.

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URL: https://www.chinbullbotany.com/EN/10.11983/CBB17179

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References 44

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Lipids	Classes	Adduct ion	Scanning mode	Mass of characteristic fragment (m/z)	Chemical formula of characteristic fragment	Collision energy (eV)
Glycolipids	MGDG	[M+NH₄]⁺	NL	179	[C₆H₁₃NO₅]	20
	DGDG	[M+NH₄]⁺	NL	341	[C₁₂H₂₃NO₁₀]	20
	SQDG	[M+NH₄]⁺	NL	261	[C₆H₁₅NO₈S]	32
Phospholipids	PE	[M+H]⁺	NL	141	[C₂H₈NO₄P]	28
	PG	[M+NH₄]⁺	NL	189	[C₃H₁₂NO₆P]	15
	PI	[M+NH₄]⁺	NL	277	[C₆H₁₆NO₉P]	27
Betaine lipids	DGTS	[M+H]⁺	PIS	236	[C₁₀H₂₂NO₅]⁺	43

Lipids	Classes	Adduct ion	Scanning mode	Mass of characteristic fragment (m/z)	Chemical formula of characteristic fragment	Collision energy (eV)
Glycolipids	MGDG	[M+NH₄]⁺	NL	179	[C₆H₁₃NO₅]	20
	DGDG	[M+NH₄]⁺	NL	341	[C₁₂H₂₃NO₁₀]	20
	SQDG	[M+NH₄]⁺	NL	261	[C₆H₁₅NO₈S]	32
Phospholipids	PE	[M+H]⁺	NL	141	[C₂H₈NO₄P]	28
	PG	[M+NH₄]⁺	NL	189	[C₃H₁₂NO₆P]	15
	PI	[M+NH₄]⁺	NL	277	[C₆H₁₆NO₉P]	27
Betaine lipids	DGTS	[M+H]⁺	PIS	236	[C₁₀H₂₂NO₅]⁺	43

Lipid species (C:N)	Theoretical mass (m/z)	Chemical formula	No.	Molecular species (sn-1/sn-2)	Precursor ion (m/z)	Product ion (m/z)
MGDG 34:7	762.5156	C₄₃H₇₂NO₁₀	1	MGDG 18:3/16:4	762.5	335.2
MGDG 34:6	764.5312	C₄₃H₇₄NO₁₀	2	MGDG 18:3/16:3	764.5	335.2
			3	MGDG 18:2/16:4	764.5	337.2
			4	MGDG 18:4/16:2	764.5	309.2
MGDG 34:5	766.5469	C₄₃H₇₆NO₁₀	5	MGDG 18:3/16:2	766.5	335.2
			6	MGDG 18:2/16:3	766.5	337.2
			7	MGDG 18:1/16:4	766.5	339.2
			8	MGDG 18:4/16:1	766.5	333.2
MGDG 34:4	768.5625	C₄₃H₇₈NO₁₀	9	MGDG 18:1/16:3	768.5	339.2
			10	MGDG 18:2/16:2	768.5	337.2
			11	MGDG 18:3/16:1	768.5	311.2
			12	MGDG 18:4/16:0	768.5	313.2
			13	MGDG 18:0/16:4	768.5	341.2
MGDG 34:3	770.5781	C₄₃H₈₀NO₁₀	14	MGDG 18:1/16:2	770.5	339.2
			15	MGDG 18:2/16:1	770.5	337.2
			16	MGDG 18:3/16:0	770.5	335.2
MGDG 34:2	772.5938	C₄₃H₈₂NO₁₀	17	MGDG 18:1/16:1	772.5	339.2
			18	MGDG 18:0/16:2	772.5	341.2
			19	MGDG 18:2/16:0	772.5	313.2
MGDG 34:1	774.6094	C₄₃H₈₄NO₁₀	20	MGDG 18:1/16:0	774.6	339.2
MGDG 34:1	774.6094	C₄₃H₈₄NO₁₀	21	MGDG 18:0/16:1	774.6	341.2
DGDG 32:3	904.5997	C₄₇H₈₆NO₁₅	22	DGDG 16:0/16:3	904.5	313.2
DGDG 32:3	904.5997	C₄₇H₈₆NO₁₅	23	DGDG 16:1/16:2	904.5	311.2
DGDG 34:7	924.5684	C₄₉H₈₂NO₁₅	24	DGDG 18:3/16:4	924.5	335.2
DGDG 34:6	926.5840	C₄₉H₈₄NO₁₅	25	DGDG 18:3/16:3	926.5	335.2
			26	DGDG 18:2/16:4	926.5	337.2
			27	DGDG 18:4/16:2	926.5	333.2
DGDG 34:5	928.5997	C₄₉H₈₆NO₁₅	28	DGDG 18:2/16:3	928.5	337.2
DGDG 34:5	928.5997	C₄₉H₈₆NO₁₅	29	DGDG 18:3/16:2	928.5	335.2
DGDG 34:4	930.6153	C₄₉H₈₈NO₁₅	30	DGDG 18:3/16:1	930.6	335.2
			31	DGDG 18:2/16:2	930.6	337.2
			32	DGDG 18:1/16:3	930.6	339.2
DGDG 34:3	932.6309	C₄₉H₉₀NO₁₅	33	DGDG 18:1/16:2	932.6	339.2
			34	DGDG 18:3/16:0	932.6	313.2
			35	DGDG 18:2/16:1	932.6	337.2
DGDG 34:2	934.6466	C₄₉H₉₂NO₁₅	36	DGDG 18:1/16:1	934.6	339.2
DGDG 34:2	934.6466	C₄₉H₉₂NO₁₅	37	DGDG 18:2/16:0	934.6	337.2
DGDG 34:1	936.6622	C₄₉H₉₄NO₁₅	38	DGDG 18:1/16:0	936.6	339.2
DGDG 34:0	938.6779	C₄₉H₉₆NO₁₅	39	DGDG 18:0/16:0	938.6	341.2
DGDG 36:4	958.6466	C₅₁H₉₂NO₁₅	40	DGDG 18:1/18:3	958.6	339.2
DGDG 36:4	958.6466	C₅₁H₉₂NO₁₅	41	DGDG 18:2/18:2	958.6	337.2
DGDG 36:3	960.6622	C₅₁H₉₄NO₁₅	42	DGDG 18:0/18:3	960.6	341.2
SQDG 32:1	810.5400	C₄₁H₈₀NO₁₂S	43	SQDG 16:0/16:1	810.5	313.2
SQDG 32:0	812.5557	C₄₁H₈₂NO₁₂S	44	SQDG 16:0/16:0	812.5	313.2
SQDG 34:3	834.5400	C₄₃H₈₀NO₁₂S	45	SQDG 18:3/16:0	834.5	313.2
表2 (续) Table 2 (continued)
Lipid species (C:N)	Theoretical mass (m/z)	Chemical formula	No.	Molecular species (sn-1/sn-2)	Precursor ion (m/z)	Product ion (m/z)
SQDG 34:2	836.5557	C₄₃H₈₂NO₁₂S	46	SQDG 18:2/16:0	836.5	313.2
SQDG 34:1	838.5713	C₄₃H₈₄NO₁₂S	47	SQDG 18:1/16:0	838.5	313.2
SQDG 34:0	840.587	C₄₃H₈₆NO₁₂S	48	SQDG 18:0/16:0	840.5	341.2
PE 32:2	688.4916	C₃₇H₇₁NO₈P	49	PE 16:1/16:1	688.4	547.4
PE 32:1	690.5073	C₃₇H₇₃NO₈P	50	PE 16:0/16:1	690.5	549.5
PE 32:0	692.5229	C₃₇H₇₅NO₈P	51	PE 16:0/16:0	692.5	551.5
PE 34:4	712.4916	C₃₉H₇₁NO₈P	52	PE 16:0/18:3	714.5	573.5
PE 34:2	716.5229	C₃₉H₇₅NO₈P	53	PE 34:2	716.5	575.5
PE 34:1	718.5386	C₃₉H₇₇NO₈P	54	PE 16:0/18:1	718.5	577.5
PE 36:6	736.4916	C₄₁H₇₁NO₈P	55	PE 18:3/18:3	736.4	595.4
PE 36:5	738.5073	C₄₁H₇₃NO₈P	56	PE 18:2/18:3	738.5	597.5
PE 36:4	740.5229	C₄₁H₇₅NO₈P	57	PE 36:4	740.5	599.5
PE 36:3	742.5386	C₄₁H₇₇NO₈P	58	PE 18:0/18:3	742.5	601.5
PE 36:2	744.5543	C₄₁H₇₉NO₈P	59	PE 18:1/18:1	744.5	603.5
PG 32:2	736.5128	C₃₈H₇₅NO₁₀P	60	PG 16:1/16:1	736.5	547.5
PG 32:1	738.5284	C₃₈H₇₇NO₁₀P	61	PG 16:0/16:1	738.5	549.5
PG 32:0	740.5441	C₃₈H₇₉NO₁₀P	62	PG 16:0/16:0	740.5	551.5
PG 34:4	760.5128	C₄₀H₇₅NO₁₀P	63	PG 18:3/16:1	760.5	571.5
PG 34:3	762.5284	C₄₀H₇₇NO₁₀P	64	PG 34:3	762.5	573.5
PG 34:2	764.5441	C₄₀H₇₉NO₁₀P	65	PG 34:2	764.5	575.5
PG 34:1	766.5598	C₄₀H₈₁NO₁₀P	66	PG 18:1/16:0	766.5	577.5
PG 34:0	768.5754	C₄₀H₈₃NO₁₀P	67	PG 18:0/16:0	768.5	579.5
PI 34:3	850.5445	C₄₃H₈₁NO₁₃P	68	PI 18:3/16:0	850.5	573.5
PI 34:2	852.5601	C₄₃H₈₃NO₁₃P	69	PI 34:2	852.5	575.5
PI 34:1	854.5757	C₄₃H₈₅NO₁₃P	70	PI 18:1/16:0	854.5	577.5
PI 34:0	856.5914	C₄₃H₈₇NO₁₃P	71	PI 18:0/16:0	856.5	579.5
DGTS 32:4	704.5464	C₄₂H₇₄NO₇	72	DGTS 16:0/16:4	704.5	474.4
			73	DGTS 16:3/16:1	704.5	472.4
			74	DGTS 16:2/16:2	704.5	470.4
DGTS 32:3	706.5621	C₄₂H₇₆NO₇	75	DGTS 16:0/16:3	706.5	474.4
DGTS 32:3	706.5621	C₄₂H₇₆NO₇	76	DGTS 16:2/16:1	706.5	470.4
DGTS 32:2	708.5778	C₄₂H₇₈NO₇	77	DGTS 16:0/16:2	708.5	474.4
DGTS 32:1	710.5934	C₄₂H₈₀NO₇	78	DGTS 16:0/16:1	710.5	474.4
DGTS 32:0	712.6091	C₄₂H₈₂NO₇	79	DGTS 16:0/16:0	712.6	474.4
DGTS 34:7	726.5308	C₄₄H₇₂NO₇	80	DGTS 16:4/18:3	726.5	466.4
DGTS 34:7	726.5308	C₄₄H₇₂NO₇	81	DGTS 16:3/18:4	726.5	468.4
DGTS 34:6	728.5464	C₄₄H₇₄NO₇	82	DGTS 16:3/18:3	728.5	468.4
			83	DGTS 16:4/18:2	728.5	466.4
			84	DGTS 16:2/18:4	728.5	494.4
DGTS 34:5	730.5621	C₄₄H₇₆NO₇	85	DGTS 16:4/18:1	730.5	500.4
			86	DGTS 16:1/18:4	730.5	472.4
			87	DGTS 16:3/18:2	730.5	498.4
			88	DGTS 16:2/18:3	730.5	470.4
DGTS 34:4	732.5778	C₄₄H₇₈NO₇	89	DGTS 16:1/18:3	732.5	496.4
			90	DGTS 16:2/18:2	732.5	498.4
			91	DGTS 16:3/18:1	732.5	500.4
			92	DGTS 16:0/18:4	732.5	474.4
表2 (续) Table 2 (continued)
Lipid species (C:N)	Theoretical mass (m/z)	Chemical formula	No.	Molecular species (sn-1/sn-2)	Precursor ion (m/z)	Product ion (m/z)
			93	DGTS 16:4/18:0	732.5	502.4
DGTS 34:3	734.5934	C₄₄H₈₀NO₇	94	DGTS 16:0/18:3	734.5	474.4
DGTS 34:2	736.6091	C₄₄H₈₂NO₇	95	DGTS 16:0/18:2	736.6	474.4
DGTS 34:1	738.6247	C₄₄H₈₄NO₇	96	DGTS 16:0/18:1	738.6	474.4
DGTS 34:1	738.6247	C₄₄H₈₄NO₇	97	DGTS 16:1/18:0	738.6	502.4
DGTS 36:7	754.5621	C₄₆H₇₆NO₇	98	DGTS 18:3/18:4	754.5	496.4
DGTS 36:6	756.5778	C₄₆H₇₈NO₇	99	DGTS 18:3/18:3	756.5	496.4
DGTS 36:6	756.5778	C₄₆H₇₈NO₇	100	DGTS 18:4/18:2	756.5	498.4
DGTS 36:5	758.5934	C₄₆H₈₀NO₇	101	DGTS 18:2/18:3	758.5	498.4
DGTS 36:5	758.5934	C₄₆H₈₀NO₇	102	DGTS 18:1/18:4	758.5	500.4
DGTS 36:4	760.6091	C₄₆H₈₂NO₇	103	DGTS 18:2/18:2	760.6	498.4
			104	DGTS 18:1/18:3	760.6	500.4
			105	DGTS 18:0/18:4	760.6	502.4
DGTS 36:3	762.6247	C₄₆H₈₄NO₇	106	DGTS 18:0/18:3	762.6	502.4
DGTS 36:3	762.6247	C₄₆H₈₄NO₇	107	DGTS 18:1/18:2	762.6	500.4
DGTS 36:2	764.6404	C₄₆H₈₆NO₇	108	DGTS 18:1/18:1	764.6	500.4
DGTS 36:2	764.6404	C₄₆H₈₆NO₇	109	DGTS 18:0/18:2	764.6	502.4

Lipid species (C:N)	Theoretical mass (m/z)	Chemical formula	No.	Molecular species (sn-1/sn-2)	Precursor ion (m/z)	Product ion (m/z)
MGDG 34:7	762.5156	C₄₃H₇₂NO₁₀	1	MGDG 18:3/16:4	762.5	335.2
MGDG 34:6	764.5312	C₄₃H₇₄NO₁₀	2	MGDG 18:3/16:3	764.5	335.2
			3	MGDG 18:2/16:4	764.5	337.2
			4	MGDG 18:4/16:2	764.5	309.2
MGDG 34:5	766.5469	C₄₃H₇₆NO₁₀	5	MGDG 18:3/16:2	766.5	335.2
			6	MGDG 18:2/16:3	766.5	337.2
			7	MGDG 18:1/16:4	766.5	339.2
			8	MGDG 18:4/16:1	766.5	333.2
MGDG 34:4	768.5625	C₄₃H₇₈NO₁₀	9	MGDG 18:1/16:3	768.5	339.2
			10	MGDG 18:2/16:2	768.5	337.2
			11	MGDG 18:3/16:1	768.5	311.2
			12	MGDG 18:4/16:0	768.5	313.2
			13	MGDG 18:0/16:4	768.5	341.2
MGDG 34:3	770.5781	C₄₃H₈₀NO₁₀	14	MGDG 18:1/16:2	770.5	339.2
			15	MGDG 18:2/16:1	770.5	337.2
			16	MGDG 18:3/16:0	770.5	335.2
MGDG 34:2	772.5938	C₄₃H₈₂NO₁₀	17	MGDG 18:1/16:1	772.5	339.2
			18	MGDG 18:0/16:2	772.5	341.2
			19	MGDG 18:2/16:0	772.5	313.2
MGDG 34:1	774.6094	C₄₃H₈₄NO₁₀	20	MGDG 18:1/16:0	774.6	339.2
MGDG 34:1	774.6094	C₄₃H₈₄NO₁₀	21	MGDG 18:0/16:1	774.6	341.2
DGDG 32:3	904.5997	C₄₇H₈₆NO₁₅	22	DGDG 16:0/16:3	904.5	313.2
DGDG 32:3	904.5997	C₄₇H₈₆NO₁₅	23	DGDG 16:1/16:2	904.5	311.2
DGDG 34:7	924.5684	C₄₉H₈₂NO₁₅	24	DGDG 18:3/16:4	924.5	335.2
DGDG 34:6	926.5840	C₄₉H₈₄NO₁₅	25	DGDG 18:3/16:3	926.5	335.2
			26	DGDG 18:2/16:4	926.5	337.2
			27	DGDG 18:4/16:2	926.5	333.2
DGDG 34:5	928.5997	C₄₉H₈₆NO₁₅	28	DGDG 18:2/16:3	928.5	337.2
DGDG 34:5	928.5997	C₄₉H₈₆NO₁₅	29	DGDG 18:3/16:2	928.5	335.2
DGDG 34:4	930.6153	C₄₉H₈₈NO₁₅	30	DGDG 18:3/16:1	930.6	335.2
			31	DGDG 18:2/16:2	930.6	337.2
			32	DGDG 18:1/16:3	930.6	339.2
DGDG 34:3	932.6309	C₄₉H₉₀NO₁₅	33	DGDG 18:1/16:2	932.6	339.2
			34	DGDG 18:3/16:0	932.6	313.2
			35	DGDG 18:2/16:1	932.6	337.2
DGDG 34:2	934.6466	C₄₉H₉₂NO₁₅	36	DGDG 18:1/16:1	934.6	339.2
DGDG 34:2	934.6466	C₄₉H₉₂NO₁₅	37	DGDG 18:2/16:0	934.6	337.2
DGDG 34:1	936.6622	C₄₉H₉₄NO₁₅	38	DGDG 18:1/16:0	936.6	339.2
DGDG 34:0	938.6779	C₄₉H₉₆NO₁₅	39	DGDG 18:0/16:0	938.6	341.2
DGDG 36:4	958.6466	C₅₁H₉₂NO₁₅	40	DGDG 18:1/18:3	958.6	339.2
DGDG 36:4	958.6466	C₅₁H₉₂NO₁₅	41	DGDG 18:2/18:2	958.6	337.2
DGDG 36:3	960.6622	C₅₁H₉₄NO₁₅	42	DGDG 18:0/18:3	960.6	341.2
SQDG 32:1	810.5400	C₄₁H₈₀NO₁₂S	43	SQDG 16:0/16:1	810.5	313.2
SQDG 32:0	812.5557	C₄₁H₈₂NO₁₂S	44	SQDG 16:0/16:0	812.5	313.2
SQDG 34:3	834.5400	C₄₃H₈₀NO₁₂S	45	SQDG 18:3/16:0	834.5	313.2
表2 (续) Table 2 (continued)
Lipid species (C:N)	Theoretical mass (m/z)	Chemical formula	No.	Molecular species (sn-1/sn-2)	Precursor ion (m/z)	Product ion (m/z)
SQDG 34:2	836.5557	C₄₃H₈₂NO₁₂S	46	SQDG 18:2/16:0	836.5	313.2
SQDG 34:1	838.5713	C₄₃H₈₄NO₁₂S	47	SQDG 18:1/16:0	838.5	313.2
SQDG 34:0	840.587	C₄₃H₈₆NO₁₂S	48	SQDG 18:0/16:0	840.5	341.2
PE 32:2	688.4916	C₃₇H₇₁NO₈P	49	PE 16:1/16:1	688.4	547.4
PE 32:1	690.5073	C₃₇H₇₃NO₈P	50	PE 16:0/16:1	690.5	549.5
PE 32:0	692.5229	C₃₇H₇₅NO₈P	51	PE 16:0/16:0	692.5	551.5
PE 34:4	712.4916	C₃₉H₇₁NO₈P	52	PE 16:0/18:3	714.5	573.5
PE 34:2	716.5229	C₃₉H₇₅NO₈P	53	PE 34:2	716.5	575.5
PE 34:1	718.5386	C₃₉H₇₇NO₈P	54	PE 16:0/18:1	718.5	577.5
PE 36:6	736.4916	C₄₁H₇₁NO₈P	55	PE 18:3/18:3	736.4	595.4
PE 36:5	738.5073	C₄₁H₇₃NO₈P	56	PE 18:2/18:3	738.5	597.5
PE 36:4	740.5229	C₄₁H₇₅NO₈P	57	PE 36:4	740.5	599.5
PE 36:3	742.5386	C₄₁H₇₇NO₈P	58	PE 18:0/18:3	742.5	601.5
PE 36:2	744.5543	C₄₁H₇₉NO₈P	59	PE 18:1/18:1	744.5	603.5
PG 32:2	736.5128	C₃₈H₇₅NO₁₀P	60	PG 16:1/16:1	736.5	547.5
PG 32:1	738.5284	C₃₈H₇₇NO₁₀P	61	PG 16:0/16:1	738.5	549.5
PG 32:0	740.5441	C₃₈H₇₉NO₁₀P	62	PG 16:0/16:0	740.5	551.5
PG 34:4	760.5128	C₄₀H₇₅NO₁₀P	63	PG 18:3/16:1	760.5	571.5
PG 34:3	762.5284	C₄₀H₇₇NO₁₀P	64	PG 34:3	762.5	573.5
PG 34:2	764.5441	C₄₀H₇₉NO₁₀P	65	PG 34:2	764.5	575.5
PG 34:1	766.5598	C₄₀H₈₁NO₁₀P	66	PG 18:1/16:0	766.5	577.5
PG 34:0	768.5754	C₄₀H₈₃NO₁₀P	67	PG 18:0/16:0	768.5	579.5
PI 34:3	850.5445	C₄₃H₈₁NO₁₃P	68	PI 18:3/16:0	850.5	573.5
PI 34:2	852.5601	C₄₃H₈₃NO₁₃P	69	PI 34:2	852.5	575.5
PI 34:1	854.5757	C₄₃H₈₅NO₁₃P	70	PI 18:1/16:0	854.5	577.5
PI 34:0	856.5914	C₄₃H₈₇NO₁₃P	71	PI 18:0/16:0	856.5	579.5
DGTS 32:4	704.5464	C₄₂H₇₄NO₇	72	DGTS 16:0/16:4	704.5	474.4
			73	DGTS 16:3/16:1	704.5	472.4
			74	DGTS 16:2/16:2	704.5	470.4
DGTS 32:3	706.5621	C₄₂H₇₆NO₇	75	DGTS 16:0/16:3	706.5	474.4
DGTS 32:3	706.5621	C₄₂H₇₆NO₇	76	DGTS 16:2/16:1	706.5	470.4
DGTS 32:2	708.5778	C₄₂H₇₈NO₇	77	DGTS 16:0/16:2	708.5	474.4
DGTS 32:1	710.5934	C₄₂H₈₀NO₇	78	DGTS 16:0/16:1	710.5	474.4
DGTS 32:0	712.6091	C₄₂H₈₂NO₇	79	DGTS 16:0/16:0	712.6	474.4
DGTS 34:7	726.5308	C₄₄H₇₂NO₇	80	DGTS 16:4/18:3	726.5	466.4
DGTS 34:7	726.5308	C₄₄H₇₂NO₇	81	DGTS 16:3/18:4	726.5	468.4
DGTS 34:6	728.5464	C₄₄H₇₄NO₇	82	DGTS 16:3/18:3	728.5	468.4
			83	DGTS 16:4/18:2	728.5	466.4
			84	DGTS 16:2/18:4	728.5	494.4
DGTS 34:5	730.5621	C₄₄H₇₆NO₇	85	DGTS 16:4/18:1	730.5	500.4
			86	DGTS 16:1/18:4	730.5	472.4
			87	DGTS 16:3/18:2	730.5	498.4
			88	DGTS 16:2/18:3	730.5	470.4
DGTS 34:4	732.5778	C₄₄H₇₈NO₇	89	DGTS 16:1/18:3	732.5	496.4
			90	DGTS 16:2/18:2	732.5	498.4
			91	DGTS 16:3/18:1	732.5	500.4
			92	DGTS 16:0/18:4	732.5	474.4
表2 (续) Table 2 (continued)
Lipid species (C:N)	Theoretical mass (m/z)	Chemical formula	No.	Molecular species (sn-1/sn-2)	Precursor ion (m/z)	Product ion (m/z)
			93	DGTS 16:4/18:0	732.5	502.4
DGTS 34:3	734.5934	C₄₄H₈₀NO₇	94	DGTS 16:0/18:3	734.5	474.4
DGTS 34:2	736.6091	C₄₄H₈₂NO₇	95	DGTS 16:0/18:2	736.6	474.4
DGTS 34:1	738.6247	C₄₄H₈₄NO₇	96	DGTS 16:0/18:1	738.6	474.4
DGTS 34:1	738.6247	C₄₄H₈₄NO₇	97	DGTS 16:1/18:0	738.6	502.4
DGTS 36:7	754.5621	C₄₆H₇₆NO₇	98	DGTS 18:3/18:4	754.5	496.4
DGTS 36:6	756.5778	C₄₆H₇₈NO₇	99	DGTS 18:3/18:3	756.5	496.4
DGTS 36:6	756.5778	C₄₆H₇₈NO₇	100	DGTS 18:4/18:2	756.5	498.4
DGTS 36:5	758.5934	C₄₆H₈₀NO₇	101	DGTS 18:2/18:3	758.5	498.4
DGTS 36:5	758.5934	C₄₆H₈₀NO₇	102	DGTS 18:1/18:4	758.5	500.4
DGTS 36:4	760.6091	C₄₆H₈₂NO₇	103	DGTS 18:2/18:2	760.6	498.4
			104	DGTS 18:1/18:3	760.6	500.4
			105	DGTS 18:0/18:4	760.6	502.4
DGTS 36:3	762.6247	C₄₆H₈₄NO₇	106	DGTS 18:0/18:3	762.6	502.4
DGTS 36:3	762.6247	C₄₆H₈₄NO₇	107	DGTS 18:1/18:2	762.6	500.4
DGTS 36:2	764.6404	C₄₆H₈₆NO₇	108	DGTS 18:1/18:1	764.6	500.4
DGTS 36:2	764.6404	C₄₆H₈₆NO₇	109	DGTS 18:0/18:2	764.6	502.4

Lipid class	Adduct ion	Ion mode	CE (eV)	CID fragments
MGDG	[M+NH₄]⁺	+	50	[M+NH₄-17]⁺, [M+NH₄-35]⁺, [M+NH₄-179]⁺, [M+NH₄-197]⁺, [M+NH₄-179-R_xCOOH]⁺
DGDG	[M+NH₄]⁺	+	70	[M+NH₄-17]⁺, [M+NH₄-35]⁺, [M+NH₄-180]⁺, [M+NH₄-341]⁺, [M+NH₄- 359]⁺, [M+NH₄-341-R_xCOOH]⁺
SQDG	[M+NH₄]⁺	+	50	[M+NH₄-17]⁺, [M+NH₄-35]⁺, [M+NH₄-261]⁺, [M+NH₄-261-R_xCO+H]⁺
PE	[M-H]^-	-	35	[R_xCOO]^-, [M-H-R_xCOOH]^-, [M-H-R_xCO+H]^-
PG	[M-H]^-	-	35	[R_xCOO]^-, [M-H-R_xCOOH]^-, [M-H-R_xCO+H]^-, [PA-H-R_xCOOH]^-
PI	[M-H]^-	-	35	[R_xCOO]^-, [M-H-R_xCOOH]^-, [M-H-RC_xO+H]^-, [M-H-R₁COOH-R₂- COOH]^-, [PA-H-R_xCOOH]^-, 241
DGTS	[M+H]⁺	+	35	[M+H-R_xCOOH]⁺, [M+H-R_xCO+H]⁺, 236