Building-Block Concept-Based Theoretical Databases

2 Building-Block Concept-Based Theoretical Databases 

MDMS-SL analyzes lipid molecular species in a combined targeted and nontargeted approach and extensively employs the building-block concept for identification of lipid molecular structures (see Chapter 2). The database for MDMS-SL should be as broad and flexible as possible and can be readily constructed based on the building blocks of individual lipid classes (see Chapter 1) [3]. Such a virtual database consists 

By only using the commonly recognized fatty acyls, the structures of approximately 65(X) GPL species, 3200 glycerolipid species, 26,000 sphingolipids. 

Lipid Class Lipid Subclasses Backbone Head Group (Building Block III) Side Chains (Building Blocks I and II) Sum Eormula Negative-Ion Mode Positive-Ion Mode Number of Possible Species  

PE Diacyl PE C2H7O3PN nfl2m-2n-2 2 C m+5H2m-2n+lo08PN [M-H]-, [M-H-l-Pmoc] (i.e., [M-FCisHgOj]-) 314 

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