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 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.

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): +/- 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- Sort by: Exact Mass Molecular Formula Delta

List of precursor ions : 701.3770 701.5394 703.5518 704.3764 711.2292 717.4073 737.3539 737.4317 738.5081 738.5084 741.3494 743.4485 754.5029 762.5079 764.5239 766.5364 766.5377 766.5394 767.2509 780.5193 782.5336 782.5338 782.5343 783.1507 783.5385 785.1487 787.3774 791.2729 792.5472 792.5504 792.5540 794.5633 795.5679 796.5135 798.5297 799.2676 801.2642 802.5388 804.5543 806.5336 806.5345 807.2607 808.3608 808.5422 808.5426 808.5435 814.5242 815.3187 820.5500 821.5519 823.3129 825.3095 827.0522 829.3055 841.2357 847.3053 863.5653 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 :

Abbreviation	Name	Precursor (#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
HOTrE	Hydroxy-OctadecaTriEnoic acid	C18
DiHODE	DiHydroxy-OctadecaDiEnoic acid	C18
HODE	Hydroxy-OctadecaDiEnoic acid	C18
EpODE	Epoxy-OctadecaDiEnoic acid	C18
OxoODE	Oxo-OctadecaDiEnoic acid	C18
HOME	Hydroxy-Octadeca(Mono)Enoic acid	C18
DiHOME	DiHydroxy-Octadeca(Mono)Enoic acid	C18
EpOME	Epoxy-Octadeca(Mono)Enoic acid	C18
-	8-Oxo-octanoic acid	C18
-	8-Carboxy-octanoic acid	C18
-	11-Oxo-9-undecenoic acid	C18
-	13-Oxo-9,11-tridecedienoic acid	C18
-	8-Keto-13-oxo-9,11-tridecedienoic acid	C18
-	8-Hydroxy-13-oxo-9,11-tridecedienoic acid	C18
-	2-furyl-octanoic acid	C18
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
PGD2	PGD2	C20
PGE2	PGE2	C20
EI	Epoxy-IsoProstaglandin E2	C20
EP	Epoxy-cycloPentenone (PGA2)	C20
OxoETE	Oxo-EicosaTetraEnoic acid	C20
HETE	Hydroxy-EicosaTetraEnoic acid	C20
DiHETE	DiHydroxy-EicosaTetraEnoic acid	C20
EpETE	Epoxy-EicosaTetraEnoic acid	C20
HEDE	Hydroxy-EicosaDiEnoic acid	C20
HETrE	Hydroxy-EicosaTriEnoic acid	C20
DiHETrE	DiHydroxy-EicosaTriEnoic acid	C20
EpETrE	Epoxy-EicosaTriEnoic acid	C20
HEPE	Hydroxy-EicosaPentaEnoic acid	C20
DiHEPE	DiHydroxy-EicosaPentaEnoic acid	C20
-	PGF2	C20
-	LGD2	C20
-	LGE2	C20
-	IsoFuran	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 acid	C20
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
EpDoPE	Epoxy-DocosaPentaEnoic acid	C22
HDoTE	Hydroxy-DocosaTetraEnoic acid	C22
HDoPE	Hydroxy-DocosaPentaEnoic acid	C22
DiHDoPE	DiHydroxy-DocosaPentaEnoic acid	C22
HDoHE	Hydroxy-DocosaHexaEnoic acid	C22
EpDoHE	Epoxy-DocosaHexaEnoic acid	C22
DiHDoHE	DiHydroxy-DocosaHexaEnoic acid	C22
-	6-oxo-4-hexenoic acid	C22
-	2-furyl-propanoic acid	C22