Search a computationally-generated database of oxidized phospholipid classes with a list of precursor ions

A virtual database composed of major classes of oxidized 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.
Restrict search by phospholipid headgroup
: Phosphtatidylcholines (PC)
: Phosphtatidylethanolamines (PE)
: Phosphtatidic acids (PA)
: Phosphtatidylserines (PS)
: Phosphtatidylglycerols (PG)
: Phosphtatidylinositols (PI)

Restrict search by precursor of oxidized acyl chain
: C18 (Linoleic acid)
: C20 (Arachidonic acid)
: C22 (Docosahexenoic acid)

Limit search to certain sn1 (non-oxidized) chains:  
14:0: 16:0: 18:0: 20:0: 22:0:
14:1: 16:1: 18:1: 18:2: 18:3: 18:4: 20:1: 20:2:
20:3: 20:4: 20:5: 22:1: 22:2: 22:4: 22:5: 22:6:
O-16:0: O-18:0: O-20:0:   P-16:0: P-18:0: P-20:0:
P-16:1: P-18:1: P-20:1: P-18:2:

Ignore species with sn1 alkyl chains:

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-

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List of precursor ions :
Or upload a peaklist

The sn1 acyl/alkyl chains used to create the database of oxidized glycerophospholipids:
14:0 14:1 16:0 16:1 18:0 18:1 18:2 18:3 18:4 20:0 20:1 20:2 20:3 20:4 20:5 22:0 22:1 22:2 22:4 22:5 22:6
O-16:0 O-18:0 O-20:0 P-16:0 P-18:0 P-20:0 P-16:1 P-18:1 P-20:1

The abbreviations used for the sn2 oxidized chains :
AbbreviationNamePrecursor (#Carbons)
KDdiA 9-Keto-10-Dodecene-1,12-Dioic Acid C18
HDdiA 9-Hydroxy-10-Dodecene-1,12-Dioic Acid C18
KODA 9-Keto(12-Oxo)-10-Dodecenoic Acid C18
HODA 9-Hydroxy(12-Oxo)-10-Dodecenoic Acid C18
ON 9-Oxo-nonanoic acid C18
Aze Azeleic acid (Nonane-1,9-dioic acid) C18
HOTrEHydroxy-OctadecaTriEnoic acidC18
DiHODEDiHydroxy-OctadecaDiEnoic acidC18
HODEHydroxy-OctadecaDiEnoic acidC18
EpODEEpoxy-OctadecaDiEnoic acidC18
OxoODEOxo-OctadecaDiEnoic acidC18
HOMEHydroxy-Octadeca(Mono)Enoic acidC18
DiHOMEDiHydroxy-Octadeca(Mono)Enoic acidC18
EpOMEEpoxy-Octadeca(Mono)Enoic acidC18
-8-Oxo-octanoic acidC18
-8-Carboxy-octanoic acidC18
-11-Oxo-9-undecenoic acidC18
-13-Oxo-9,11-tridecedienoic acidC18
- 8-Keto-13-oxo-9,11-tridecedienoic acid C18
- 8-Hydroxy-13-oxo-9,11-tridecedienoic acid C18
-2-furyl-octanoic acidC18
KODiA 5-Keto-6E-Octene-1,8-Dioic Acid C20
HODiA 5-Hydroxy-6E-Octene-1,8-Dioic Acid C20
KOOA 5-Keto(8-Oxo)-6E-Octenoic Acid C20
HOOA 5-Hydroxy(8-Oxo)-6E-Octenoic Acid C20
OV 5-Oxovaleric acid C20
G Glutaric acid C20
EI Epoxy-IsoProstaglandin E2 C20
EP Epoxy-cycloPentenone (PGA2) C20
OxoETEOxo-EicosaTetraEnoic acidC20
HETEHydroxy-EicosaTetraEnoic acidC20
DiHETEDiHydroxy-EicosaTetraEnoic acidC20
EpETEEpoxy-EicosaTetraEnoic acidC20
HEDEHydroxy-EicosaDiEnoic acidC20
HETrEHydroxy-EicosaTriEnoic acidC20
DiHETrEDiHydroxy-EicosaTriEnoic acidC20
EpETrEEpoxy-EicosaTriEnoic acidC20
HEPEHydroxy-EicosaPentaEnoic acidC20
DiHEPEDiHydroxy-EicosaPentaEnoic acidC20
- PGF2 C20
- 4-Keto-9-oxo-5,7-nonadienoic acid C20
- 5,10-Dihydroxy-11-oxo-6,8-undecedienoic acid C20
- 10-Hydroxy-13-oxo-5,8,11-tridecatrienoic acid C20
- Acetic acid C20
- Butanoic acid C20
- 3-Butenoic acid C20
-2-furyl-butanoic acidC20
KHdiA 4-Keto-5-Heptene-1,7-Dioic Acid C22
HHdiA 4-HydroxyHeptene-1,7-Dioic Acid C22
KOHA 4-Keto(7-Oxo)Heptenoic Acid C22
HOHA 4-Hydroxy(7-Oxo)Heptenoic Acid C22
OB 4-Oxobutyric acid C22
S Succinic acid C22
EpDoPEEpoxy-DocosaPentaEnoic acidC22
HDoTEHydroxy-DocosaTetraEnoic acidC22
HDoPEHydroxy-DocosaPentaEnoic acidC22
DiHDoPEDiHydroxy-DocosaPentaEnoic acidC22
HDoHEHydroxy-DocosaHexaEnoic acidC22
EpDoHEEpoxy-DocosaHexaEnoic acidC22
DiHDoHEDiHydroxy-DocosaHexaEnoic acidC22
- 6-oxo-4-hexenoic acid C22
- 2-furyl-propanoic acid C22