A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language

Table 6 Multifaceted identification of bovine brain lipid species by LipidXplorer

Lipid class^a	Number of identified species	Number of signature ions	FA^b	FAO^b	HG^b	NL^b	MS^c
PC	13	4	X X^d			X	X
PC-O	17	4	X	X		X	X
LPC	4	3	X			X	X
Cer	3	2					X X
CL	10	1					X
LCL	2	2					X X
DAG	13	1					X
PE	22	3	X X				X
PE-O	35	3	X	X			X
LPE	4	2	X				X
PG	10	3	X X				X
PI	13	4	X X		X		X
PS	10	4	X X			X	X
SM	7	2				X	X
TAG	25	1					X

^aMFQL queries identifying species of these lipid classes are presented in Additional file 15. ^bFA, acyl anions of fatty acid moieties; FAO, product of the neutral loss of a fatty acid moiety from sn-2 position of the glycerol backbone; HG, fragment of the head group specific for all species of the same lipid class; NL, neutral loss of a fragment specific for all species of the same class; MS, precursor mass. ^cTwo X symbols indicate that precursor species of this class are detected in two molecular forms (for example, deprotonated ion and acetate adduct), or as doubly and singly charged ions. ^dTwo X symbols indicate that two signature ions of the same type are observed (for example, two acyl anions of both fatty acid moieties). Cer, ceramides; CL, cardiolipins; DAG, diacylglycerols; LCL, triacyl-lysocardiolipins; LPC, lysophosphatidylcholines; LPE; lyso-phosphatidylethanolamines; PC, phosphatidylcholines; PC-O, 1-alkyl-2-acylglycerophosphocholines; PE, phosphatidylethanolamines; PE-O, 1-alkyl-2-acylglycerophosphoethanolamines; PG, phosphatidylglycerols; PI, phosphatidylinositols; PS, phosphatidylserines; SM, sphingomyelins; TAG, triacylglycerols.

ISSN: 1474-760X