Search: (i) a computationally generated database of lipid classes, (ii) a reference set of metabolites (RefMet), or (iii) the Metabolomics Workbench Metabolite database with a list of precursor ions

A computationally generated database composed of major classes of lipid species has been generated from a list of commonly occuring 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 a computationally generated database of lipids
    (optionally restrict search by lipid class below)
Option 2: Search RefMet, a reference set of metabolites
    (~9,000 structures)
Option 3: Search the Metabolomics Workbench Metabolite database
    (~62,000 structures) (search includes all metabolites)

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)
 
: Ceramides/Sphingoid bases (Cer/Sph)
: PI-Ceramides(PI-Cer)
: PE-Ceramides(PE-Cer)
: Sphingomyelins (SM)
: Hexosyl ceramides (HexCer)
: Mannosyl-PI-Ceramides (MIPC)
: Mannosyl-di-PI-ceramides (M(IP)2C)
: Lactosyl ceramides (LacCer)
: Sulfatides (SHexCer)
: Ceramide/Sphingoid base-1-phosphates (CerP/S1P)
: Wax esters (WE)
: Cholesteryl esters (CE)
: Fatty acids (FA)
: Acyl carnitines (CAR)
: Acyl CoA's (CoA)

Mass Tolerance (+/- 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-

Lipid even chains only

Sort by
Study data for ST000072/AN000114 selected   
List of precursor ions :
Or upload a peaklist file

Or upload a mzXML file

The acyl/alkyl chains used to create the virtual 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 virtual database of fatty acids: (OH:hydroxyl, Ke: keto(oxo), Ep:epoxy, cyclo: ring)
10:0 10:1 10:2 11:0 11:1 11:2 11:3 12:0 12:1 12:2 12:3 13:0 13:1 13:2 13:3 14:0 14:1 14:2 14:3 14:4 15:0 15:1 15:2 15:3 15:4 16:0
16:1 16:2 16:3 16:4 17:0 17:1 17:2 17:3 17:4 18:0 18:1 18:2 18:3 18:4 18:5 19:0 19:1 19:2 19:3 19:4 19:5 20:0 20:1 20:2 20:3 20:4
20:5 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 virtual 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



Search the Metabolomics Workbench Metabolite Database with a mass (m/z) value

Search the database by entering an m/z value in the "Mass" input box and selecting an appropriate ion type and mass tolerance range.
Mass(m/z):
Ion:
Mass Tolerance:



Search the Metabolomics Workbench Metabolite Database by classification (lipid or non-lipid) with a mass (m/z) value

Search the database by first restricting your search to a particular class of metabolites, then entering an m/z value in the "Mass" input box and selecting an appropriate ion type and mass tolerance range.
Search Lipid classes in MW Metabolite Database
LIPID MAPS Category:
LIPID MAPS Main class:
LIPID MAPS Sub class:
Mass (m/z)
Ion type
Mass Tolerance

Search non-lipid classes in MW Metabolite Database
ClassyFire Main Class:
Sub class:
Mass (m/z)
Ion type
Mass Tolerance


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