Calculate formula and mass of fatty acids
CEs database
Calculate formula and mass of ceramides phosphate
Calculate formula and mass of CL
Calculate formula and mass of carnitines
Calculate formula and mass of ceramides
Calculate formula and mass of DG
Calculate formula and mass of FAHFA
Calculate formula and mass of cholesterol esthers
Calculate formula and mass of LPEp
Calculate formula and mass of glucoceramides
Calculate formula and mass of LPE
Calculate formula and mass of LPA
Calculate formula and mass of LPG
Calculate formula and mass of hydroxi fatty acids
Calculate formula and mass of PCp
Calculate formula and mass of sphingomyelines
load LipidMS default data bases
Calculate formula and mass of sphingoid bases
Calculate formula and mass of PE
Calculate formula and mass of LPEo
Calculate formula and mass of plasmanyl PE
Calculate formula and mass of LPAo
Calculate formula and mass of MG
Calculate formula and mass of LysoPCo
Calculate formula and mass of LysoPCp
Calculate formula and mass of LysoPS
Calculate formula and mass of PIP3
Calculate formula and mass of LPI
Calculate formula and mass of plasmenyl PE
Calculate formula and mass of PS
calculate coelution score between two peaks
Combine chain fragments that could belong to the same precursor.
Bile acids conjugates database
Coeluting fragments extraction
Calculate formula and mass of PA
FAs database
Cardiolipins database
Lysophosphocholines (LPC) annotation for ESI+
Calculate formula and mass of sphingoid phosphate bases
Creation of a database for TG.
Creation of a database for FAHFA, DG and PL.
Calculate formula and mass of PC
Calculate formula and mass of LysoPC
FAHFAs database
Search of chain specific fragments
Calculate formula and mass of PI
Calculate formula and mass of PCo
Adducts table
Calculate formula and mass of PG
Calculate formula and mass of TG
Total number of carbons and double bounds
Lysophosphoserines (LPS) annotation for ESI-
Lysophosphoinositols (LPI) annotation for ESI-
Lysophosphoethanolamines (LPE) annotation for ESI-
LPGs database
LPIs database
Search of class fragments to confirm the lipid class.
Check intensity rules
Creation of a database for Carnitines, CE, FA, HFA, LPL, MG, sphingoid
bases and sphingoid bases phosphate.
Check intensity rules
Annotate isotopes
ceramides database
Cross different candidates tables to remove false positives.
Obtain an inclusion list from the annotation results
Cross the original MS1 peaklist with the annotation results
Calculate formula and mass of PIP
Creation of a database for Cer, CerP, GlcCer and SM
Search of lipid candidates of a certain class.
PSs database
Find candidate precursor from fullMS function
Target isotopes search
DGs database
Sphingoid bases database
Calculate total number of carbons and double bounds of lipid chains
Calculate formula and mass of PIP2
Difference between two carbon:bounds structures
Phosphoethanolamines (PE) annotation for ESI+
Phosphoethanolamines (PE) annotation for ESI-
Phosphoglycerols (PG) annotation for ESI-
Process mzXML files: peakpicking and deisotoping
Bile acids database
HFAs database
Carnitines database
Phosphoinositols (PI) annotation for ESI-
Customizable lipid DBs creator
Confidence Annotation Levels
Diacylglycerols (DG) annotation for ESI+
Remove low adduct supported candidates to avoid false positives.
Presence or absence of an mz value withing a vector of mz values
Lysophosphoethanolamines (LPE) annotation for ESI+
FAHFA annotation for ESI-
Fatty Acids (FA) annotation for ESI-
Lysophosphocholines (LPC) annotation for ESI-
Monoacylglycerol (MG) annotation for ESI+
Lipids annotation for ESI-
Lysophosphoglycerols (LPG) annotation for ESI-
LPSs database
Phosphoserines (PS) annotation for ESI-
Lipids annotation for ESI+
Sphingoid bases phosphate (SphP) annotation for ESI+
MGs database
Sphingoid bases (Sph) annotation for ESI-
Cholesterol Esthers (CE) annotation for ESI+
Bile Acids (BA) annotation for ESI-
mz match withing a vector of mz values
LPCs database
Ceramides (Cer) annotation for ESI-
Neutral losses db for sphingoid bases. It is employed by idCerneg function.
LPEs database
Ceramides (Cer) annotation for ESI+
Sphyngomyelines (SM) annotation for ESI+
Sphingoid bases phosphate (SphP) annotation for ESI-
PCs database
PEs database
Creation of a database for C.
PGs database
Search for fragments of interest withing a list of coeluting fragments
Cardiolipines (CL) annotation for ESI-
Carnitine annotation for ESI+
Get formula and neutral mass for annotated compounds
PIs database
Phosphocholines (PC) annotation for ESI-
Phosphocholines (PC) annotation for ESI+
Sphingoid bases (Sph) annotation for ESI-
Triacylglycerols (TG) annotation for ESI+
Check matches between chains composition and precursor structures
Join fragments information when several peaks of the same fragment are
coeluting with a unique candidate
Separate .mzXML files by CE
Sphingoid bases phosphate database
SMs database
LPAs database
PAs database
Prepare output for LipidMS annotation functions
TGs database