67
Table 4.1 Characteristic molecular ion(s) and MS/MS fragmentation data of polar lipid classes in ESI-MS based lipidomic analysis
Lipids
References
Detected ions in MS
Scan mode
Positive
Negative
Neutral loss scan (NLS)
Precursor ion scan (PIS)
Positive (Da)
Negative (Da)
Positive (m/z)
Negative (m/z)
Monogalactosyldiacylglycerol
(MGDG)
da Costa et
al. (2015),
Kumari et
al. (2013a,
2014b,
2015)
[M + Na]
+
,
[M + NH
4 ]
+
[M-H]
−
162 (Loss of one
hexose residue)
243 (C
9 H
16 O
6 Na)
Digalactosyldiacylglycerol
(DGDG)
Maciel et
al. (2016),
Melo et al.
(2015)
[M + Na]
+
,
[M + NH
4 ]
+
[M-H]
−
162 (Loss of one
hexose residue)
243 (C
9 H
16 O
6 Na)
341 (Loss of two
hexose residues)
347 [Hex
2res  + Na]
+
365 [Hex
2  + Na]
+
405 (C
15 H
26 O
11 Na)
Sulfoquinovosyldiacylglycerol
(SQDG)
[M + Na]
+
,
[M + NH
4 ]
+
[M-H]
−
225 [Sulfonated
glucose – H
2 O
(C
6 H
9 O
7 S)]
1,2-Diacylglyceryl-3-O-4′
-(N,N,N-trimethyl)-homoserine
(DGTS)
da Costa et
al. (2015),
Roche and
Leblond
(2010)
[M + H]
+
87
(−CH
2 CH
2 N
+
(CH
3 )
3 )
74 (−CH
2 N
+
(CH
3 )
3 )
59 (N
+
(CH
3 )
3 )
236
(−C
10 H
22 O
5 N
+
)
(hydroxymethyl)-(N,N,Ntrimethyl)-β-alanine (DGTA)
Roche and
Leblond
(2010)
[M + H]
+
87
(−CH
2 CH
2 N
+
(CH
3 )
3 )
74 (−CH
2 N
+
(CH
3 )
3 )
59 (N
+
(CH
3 )
3 )
236
(−C
10 H
22 O
5 N
+
)
(continued)
4 Seaweed Lipidomics in the Era of ‘Omics’ Biology: A Contemporary Perspective