Search a computationally-generated database of lipid classes or the LIPID MAPS® structure database (LMSD) with a list of precursor ions

A virtual database composed of major classes of lipid species has been generated from a list of commonly occurring acyl/alkyl chains (listed below). Chain positions and double bond regiochemistry and geometry are not specified. Search the database by entering a list of precursor ion m/z values in the text box, optionally restrict the search to certain lipid classes and then select an appropriate ion type and mass tolerance range.

Option 1: Search the computationally-generated database of 'bulk' lipid species (COMP_DB)     (optionally restrict search by lipid class below) Option 2: Search the LIPID MAPS® structure database (LMSD)     (~40,000 structures) Restrict search by lipid class if searching the COMP_DB database Optionally restrict lipid search by class: : Tri(acyl|alkyl)glycerols (TG) : Di(acyl|alkyl)glycerols (DG) : Mono(acyl|alkyl)glycerols (MG) : Monogalactosyldiacylgylcerols (MGDG) : Monogalactosyldiacylgylcerols (DGDG) : Sulfoquinovosyldiacylglycerols (SQDG) : Phosphtatidylcholines (PC) : Phosphtatidic acids (PA) : Phosphtatidylserines (PS) : Phosphtatidylethanolamines (PE) : Phosphtatidylglycerols (PG) : Phosphtatidylinositols (PI) : Phosphtatidylinositol phosphates (PIP) : Cardiolipins (CL) : N-acyl taurines (NAT)   : Ceramides/Sphingoid bases (Cer/Sph) : Cer/Sph-1-phosphates (CerP/S1P) : PI-ceramides (IPC) : PE-ceramides (EPC) : Sphingomyelins (SM) : Hexosyl ceramides (HexCer) : Mannosyl-PI-ceramides (MIPC) : Mannosyl-di-PI-ceramides (M(IP)2C) : Lactosyl ceramides (LacCer) : Sulfatides (SHexCer) : Wax esters (WE) : Cholesteryl esters (CE) : Fatty acids (FA) : Acyl carnitines (CAR) : Acyl CoA's (CoA) : N-acyl ethanolamines (NAE) Restrict search by LIPID MAPS® category if searching the LMSD : Fatty acyls (FA) : Glycerolipids (GL) : Glycerophospholipids (GP) : Sphingolipids (SP) : Sterol lipids (ST) : Prenol lipids (PR) : Saccharolipids (SL) : Polyketides (PK) Mass Tolerance (+/- m/z) +/- 1.0 m/z +/- 0.5 m/z +/- 0.2 m/z +/- 0.1 m/z +/- 0.05 m/z +/- 0.01 m/z +/- 0.005 m/z +/- 0.001 m/z +/- 0.0005 m/z Ion adducts (choose at least one with appropriate polarity) Positive mode: [M+H]+ [M+H-H2O]+ [M+Na]+ [M+NH4]+ [M+K]+ [M+2H]2+ [M+2Na]2+ [M+2Na-H]+ Negative mode: [M-H]- [M+Cl]- [M+HCOO]- [M+OAc]- [M-CH3]- [M-2H]2- [M-3H]3- Neutral mass: Neutral Even chains only (virtual database search only) Sort by Exact Mass Molecular Formula Delta

List of precursor ions : 496.3459 520.3451 522.3916 524.2979 675.504 676.4916 689.6807 701.5483 703.5357 704.5671 705.6389 706.5744 717.6024 718.4293 729.6756 Or upload a peaklist

The acyl/alkyl chains used to create the COMP_DB database of glycerophospholipids, glycerolipids, sphingolipids, acyl carnitines,
acyl CoA's, cholesteryl esters and wax esters:
10:0 12:0 13:0 14:0 14:1 15:0 15:1 16:0 16:1 17:0 17:1 17:2 18:0 18:1 18:2 18:3 18:4 19:0 20:0 20:1 20:2 20:3 20:4 20:5 21:0 22:0
22:1 22:2 22:4 22:5 22:6 23:0 24:0 24:1 24:2 24:3 24:4 24:5 25:0 25:1 26:0 26:1 26:2 26:3 26:4 26:5 26:6 27:0 27:1 27:3 28:0 28:1
28:2 28:3 28:4 28:5 28:6 29:0 29:2 29:3 30:0 30:1 30:2 30:3 30:4 30:5 30:6 31:0 32:0 32:1 32:4 32:5 32:6 33:0 34:0 34:4 34:5 34:6
O-16:0 O-18:0 O-20:0 P-16:0 P-18:0 P-20:0

The acyl chains used to create the COMP_DB database of fatty acids: (OH:hydroxyl, Ke: keto(oxo), Ep:epoxy)
(only searched in negative ion mode)
10:0 10:1 10:2 10:3 10:4 10:5 11:0 11:1 11:2 11:3 11:4 11:5 12:0 12:1 12:2 12:3 12:4 12:5 12:6 13:0 13:1 13:2 13:3 13:4 13:5 13:6
14:0 14:1 14:2 14:3 14:4 14:5 14:6 15:0 15:1 15:2 15:3 15:4 15:5 15:6 16:0 16:1 16:2 16:3 16:4 16:5 16:6 17:0 17:1 17:2 17:3 17:4
17:5 17:6 18:0 18:1 18:2 18:3 18:4 18:5 18:6 19:0 19:1 19:2 19:3 19:4 19:5 19:6 20:0 20:1 20:2 20:3 20:4 20:5 20:6 21:0 21:1 21:2
21:3 21:4 21:5 21:6 22:0 22:1 22:2 22:3 22:4 22:5 22:6 23:0 23:1 23:2 23:3 23:4 23:5 23:6 24:0 24:1 24:2 24:3 24:4 24:5 24:6 25:0
25:1 25:2 25:3 25:4 25:5 25:6 26:0 26:1 26:2 26:3 26:4 26:5 26:6 27:0 27:1 27:2 27:3 27:4 27:5 27:6 28:0 28:1 28:2 28:3 28:4 28:5
28:6 29:0 29:1 29:2 29:3 29:4 29:5 29:6 30:0 30:1 30:2 30:3 30:4 30:5 30:6 31:0 31:1 31:2 31:3 31:4 31:5 31:6 32:0 32:1 32:2 32:3
32:4 32:5 32:6 33:0 33:1 33:2 33:3 33:4 33:5 33:6 34:0 34:1 34:2 34:3 34:4 34:5 34:6

The acyl chains used to create the COMP_DB database of cardiolipins:
12:0 14:0 14:1 16:0 16:1 18:0 18:1 18:2 18:3 20:0 20:1 20:2 20:3 20:4 20:5 22:0 22:1 22:2 22:4 22:5 22:6 24:0 24:1 26:0 26:1