{"id":16017,"npaid":"NPA016017","original_name":"(9E,11Z)-13-Oxo-9,11-octadecadienoic acid","mol_formula":"C18H30O3","mol_weight":"294.4350","exact_mass":"294.2195","inchikey":"JHXAZBBVQSRKJR-QNQPVOBRSA-N","smiles":"CCCCCC(=O)/C=C\\C=C\\CCCCCCCC(=O)O","cluster_id":151,"node_id":143,"has_exclusions":false,"synonyms":[],"inchi":"InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12-","m_plus_h":"295.2268","m_plus_na":"317.2087","origin_reference":{"doi":"10.1021/jf8008662","pmid":18557621,"authors":"Cantrell, Charles L; Case, Bethany P; Mena, E Edward; Kniffin, Toby M; Duke, Stephen O; Wedge, David E","title":"Isolation and identification of antifungal fatty acids from the basidiomycete Gomphus floccosus","journal":"Journal of Agricultural and Food Chemistry","year":2008,"volume":"56","issue":"13","pages":"5062-5068"},"origin_organism":{"id":5070,"type":"Fungus","genus":"Gomphus","species":"floccosus","taxon":{"id":1630,"name":"Gomphus","rank":"genus","taxon_db":"mycobank","external_id":"17688","ncbi_id":60110,"ancestors":[{"id":599,"name":"Eukarya","rank":"domain","taxon_db":"mycobank","external_id":"0","ncbi_id":2759},{"id":600,"name":"Fungi","rank":"kingdom","taxon_db":"mycobank","external_id":"90157","ncbi_id":4751},{"id":1365,"name":"Basidiomycota","rank":"phylum","taxon_db":"mycobank","external_id":"90050","ncbi_id":5204},{"id":1366,"name":"Agaricomycetes","rank":"class","taxon_db":"mycobank","external_id":"501297","ncbi_id":155619},{"id":1627,"name":"Gomphales","rank":"order","taxon_db":"mycobank","external_id":"90623","ncbi_id":452336},{"id":1628,"name":"Gomphaceae","rank":"family","taxon_db":"mycobank","external_id":"80812","ncbi_id":60108}]}},"syntheses":[],"reassignments":[],"mol_structures":[{"current_structure":true,"reference_doi":"10.1021/jf8008662","structure_smiles":"CCCCCC(=O)/C=C\\C=C\\CCCCCCCC(=O)O","is_reassignment":false,"version":1}],"exclusions":[],"external_ids":[{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091859%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: unknown / BUDDY: C12H18O4) with delta m/z -68.099 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684216%3%13-OxoODE"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00001058200%1%Eicosanoids_13-oxoODE_C18H30O3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091947%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H32O3 / BUDDY: C18H32O3) with delta m/z 2.016 (putative explanation: Pro->Val substitution|reduction; atomic difference: 2H|2H) [M-H]-%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012148742%Suspect related to Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14 (predicted molecular formula SIRIUS: C20H32O3 / BUDDY: C20H32O3) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003134668%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003134757%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003135252%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003136232%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003137023%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003137381%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003137868%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003137992%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003138387%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003139918%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00003140169%Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931579%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H22O2) with delta m/z -84.058 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931580%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H20O3) with delta m/z -82.078 (putative explanation: nan (reverse); atomic difference: -6C,-10H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931578%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H18O2) with delta m/z -100.089 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931581%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H23NO2) with delta m/z -69.047 (putative explanation: nan (reverse); atomic difference: -3C,-5H,-2N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931582%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H22O3) with delta m/z -68.062 (putative explanation: Alkyl ring loss; atomic difference: -5C,-8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931583%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H22O3) with delta m/z -44.062 (putative explanation: nan (reverse); atomic difference: -3C,-8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931584%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H26O2) with delta m/z -44.026 (putative explanation: Dealkoxylation, dehydroxyethylation|Thr->Gly substitution; atomic difference: -1C,-2H,-1O|-2C,-4H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931585%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H24O3) with delta m/z -30.047 (putative explanation: nan (reverse); atomic difference: -2C,-6H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931586%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H31N2S) with delta m/z -29.975 (putative explanation: Glu->Val substitution|Reduction of nitro to amide; atomic difference: 2H,-2O|2O,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931587%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H29N2O4) with delta m/z -29.015 (putative explanation: nan (reverse)|deamidation followed by esterification with ethanol (reverse); atomic difference: -1H,-2N|-2C,-3H,1N,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931588%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H26O3) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931589%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H28O2) with delta m/z -18.011 (putative explanation: Dehydration|Pyro-glu from E|carbodiimide crosslinker; atomic difference: -2H,-1O|-2H,-1O|-2H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931590%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C8H24N10O) with delta m/z -17.997 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931591%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H29N2O4) with delta m/z -17.009 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931592%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H26O3) with delta m/z -16.031 (putative explanation: Leu/Ile->Pro substitution; atomic difference: -1C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931593%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H30O2) with delta m/z -15.995 (putative explanation: Ser->Ala substitution|Tyr->Phe substitution|reduction; atomic difference: -1O|-1O|-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931594%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H32N3S) with delta m/z -14.963 (putative explanation: Amine oxidation (reverse)|alpha-amino adipic acid (reverse); atomic difference: -2O,1N-3H|3H,1N,-2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931595%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H24O4) with delta m/z -14.052 (putative explanation: Lys->Asn substitution; atomic difference: -2C,-6H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931596%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H28O3) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931597%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H32O2) with delta m/z -13.981 (putative explanation: Asp->Thr substitution; atomic difference: 2H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931598%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H32O) with delta m/z -5.974 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931599%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H33NO) with delta m/z -2.964 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931600%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H28O3) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931601%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H34O3) with delta m/z -1.98 (putative explanation: Thr->Val substitution; atomic difference: 1C,2H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931602%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H29N2O5) with delta m/z -1.011 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931603%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H31N2O5) with delta m/z 1.003 (putative explanation: C isotope; atomic difference: (13)C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931604%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H33NO2) with delta m/z 1.031 (putative explanation: transamination; atomic difference: transformation)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931605%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H30N3O3S) with delta m/z 1.979 (putative explanation: Val->Thr substitution|Demethylation+hydroxylation (on same or differing sites); atomic difference: -1C,-2H,1O|1O,-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931606%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H30NO3P) with delta m/z 1.999 (putative explanation: S isotope|Cl isotope|Br isotope|Glu->Met substitution; atomic difference: (34)S|(37)Cl|(81)Br|2H,-2O,1S)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931607%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H32O3) with delta m/z 2.016 (putative explanation: Pro->Val substitution|reduction; atomic difference: 2H|2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931608%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H36O2) with delta m/z 2.05 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931609%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H30O4) with delta m/z 3.995 (putative explanation: Pro->Thr substitution|tryptophan oxidation to kynurenin|Oxidative cleavage; atomic difference: -1C,1O|-1C,1O|1O,-1C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931610%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H34O3) with delta m/z 4.032 (putative explanation: x2 reduction; atomic difference: 4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931611%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H32O4) with delta m/z 12.0 (putative explanation: formaldehyde adduct|methylation and reduction|unspecified; atomic difference: 1C|1C|1C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931612%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H36O3) with delta m/z 12.036 (putative explanation: Ser->Val substitution|Thr->Leu/Ile substitution; atomic difference: 2C,4H,-1O|2C,4H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931613%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H24N2O3S2) with delta m/z 13.905 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931614%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H28O4) with delta m/z 13.979 (putative explanation: Thr->Asp substitution|Tryptophan oxidation to oxolactone|aldehyde and ketone modifications|hydroxylation difference carboxylation|proline oxidation to pyroglutamic acid|Oxidation, epoxidation; atomic difference: -2H,1O|-2H,1O|-2H,1O|-2H,1O|-2H,1O|1O,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931615%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H32O4S) with delta m/z 13.988 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931616%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H32O3) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931617%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C14H33N2O5) with delta m/z 15.02 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931618%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H35NO2) with delta m/z 15.048 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931619%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H30O4) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931620%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H34O5) with delta m/z 18.01 (putative explanation: Proline oxidation to 5-hydroxy-2-aminovaleric acid|water; atomic difference: 2H,1O|2H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931621%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H34O2S) with delta m/z 20.006 (putative explanation: Oxidised 13C4 labelled Methionine; atomic difference: -4C,4C[13],1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931622%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H30N2O5) with delta m/z 24.0 (putative explanation: unspecified; atomic difference: 2C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931623%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H32O3) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931624%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H35NO2) with delta m/z 27.047 (putative explanation: Thr->Lys substitution|ethyl amino; atomic difference: 2C,5H,1N,-1O|2C,5H,1N,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931625%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H22O6) with delta m/z 27.92 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931626%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H34O3) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931627%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H36N2O3P) with delta m/z 29.031 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931628%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H28O5) with delta m/z 29.974 (putative explanation: Val->Glu substitution|quinone|Methyl carboxylation, other oxidation|unspecified; atomic difference: -2H,2O|-2H,2O|2O,-2H|2O,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931629%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H36O3) with delta m/z 30.047 (putative explanation: unspecified; atomic difference: 2C,6H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931630%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H34O4) with delta m/z 32.026 (putative explanation: unspecified; atomic difference: 1C,4H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931631%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C14H31N7O2) with delta m/z 35.037 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931632%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H30N2OS) with delta m/z 39.994 (putative explanation: extra OH sodium adduct|Glyoxal-derived hydroimiadazolone|S-carbamoylmethylcysteine cyclization (N-terminus)|unspecified; atomic difference: 1H,1O|2C,1O|2C,1O|2C,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931633%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H16O5) with delta m/z 41.877 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931634%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H32O4) with delta m/z 42.01 (putative explanation: Acetylation|Ser->Glu substitution|unspecified; atomic difference: 2C,2H,1O|2C,2H,1O|3N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931635%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H30O5) with delta m/z 43.991 (putative explanation: Ala->Asp substitution|Carboxylation; atomic difference: 1C,2O|1C,2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931636%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H40O2P) with delta m/z 49.053 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931637%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H35NO5) with delta m/z 51.032 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931638%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H30O5) with delta m/z 55.988 (putative explanation: DST crosslinker cleaved by sodium periodate|unspecified; atomic difference: 2C,2O|2C,2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931639%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H34O4) with delta m/z 56.026 (putative explanation: unspecified|Acrolein addition +56|Propionate labeling reagent light form (N-term & K)|unspecified; atomic difference: 1C,2H,3N|3C,4H,1O|3C,4H,1O|3C,4H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931640%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C22H38O3) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931641%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H32O5) with delta m/z 58.005 (putative explanation: Ala->Glu substitution|Gly->Asp substitution|Iodoacetic acid derivative|unspecified|unspecified; atomic difference: 2C,2H,2O|2C,2H,2O|2C,2H,2O|2C,2H,2O|3N,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931642%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H34O5) with delta m/z 60.021 (putative explanation: unspecified|unspecified; atomic difference: 2C,4H,2O|2H,3N,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931643%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H28O6) with delta m/z 63.962 (putative explanation: SulfurDioxide; atomic difference: 2O,1S)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931644%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H36O5) with delta m/z 74.035 (putative explanation: unspecified|unspecified; atomic difference: 1C,4H,3N,1O|3C,6H,2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931645%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H36N3O2P) with delta m/z 75.032 (putative explanation: unspecified|unspecified; atomic difference: 2C,5H,1N,2O|3H,4N,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931646%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H34O6) with delta m/z 88.016 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931647%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C23H36O6) with delta m/z 114.031 (putative explanation: Glutarylation|Water-quenched monolink of BS2-G crosslinker; atomic difference: 5C,6H,3O|5C,6H,3O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931648%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C10H12O) with delta m/z -128.121 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931649%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H20O) with delta m/z -114.069 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931650%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H20O2) with delta m/z -98.074 (putative explanation: Acetone chemical artifact (reverse); atomic difference: -6C,-10H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931651%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C11H16O2) with delta m/z -96.093 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931652%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C11H16O4) with delta m/z -82.115 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931653%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H20O3) with delta m/z -82.078 (putative explanation: nan (reverse); atomic difference: -6C,-10H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931654%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H24O2) with delta m/z -82.042 (putative explanation: NHS-Diazirine crosslinker (reverse)|nan (reverse); atomic difference: -5C,-6H,-1O|-5C,-6H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931655%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H26O) with delta m/z -72.022 (putative explanation: Ethyl formate loss|Glu->Gly substitution; atomic difference: -3C,-4H,-2O|-3C,-4H,-2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931656%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: unknown) with delta m/z -68.099 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931657%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H22O3) with delta m/z -68.062 (putative explanation: Alkyl ring loss; atomic difference: -5C,-8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931658%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H22O4) with delta m/z -64.068 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931659%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H30O3) with delta m/z -60.021 (putative explanation: nan (reverse)|nan (reverse); atomic difference: -2C,-4H,-2O|-2H,-3N,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931660%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H24O2) with delta m/z -58.042 (putative explanation: N-dealkoxylation, O-dealkoxylation; atomic difference: -3C,-6H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931661%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: unknown) with delta m/z -58.006 (putative explanation: Asp->Gly substitution|Enzymatic glycine removal leaving an amidated C-terminus|Glu->Ala substitution|Hydrolysis, loss of acetic acid, loss of methylester; atomic difference: -2C,-2H,-2O|-2C,-2H,-2O|-2C,-2H,-2O|-2C,-2H,-2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931662%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C14H22O3) with delta m/z -56.062 (putative explanation: Dealkylation|Leu/Ile->Gly substitution; atomic difference: -4C,-8H|-4C,-8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931663%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C14H28O3) with delta m/z -50.015 (putative explanation: Phe->Pro substitution; atomic difference: -4C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931664%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H26O2) with delta m/z -44.026 (putative explanation: Dealkoxylation, dehydroxyethylation|Thr->Gly substitution; atomic difference: -1C,-2H,-1O|-2C,-4H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931665%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H30O) with delta m/z -43.99 (putative explanation: Asp->Ala substitution|Decarboxylation; atomic difference: -1C,-2O|-1C,-2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931666%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H24O3) with delta m/z -42.047 (putative explanation: Deisopropylation, depropylation, dealkylation|Leu/Ile->Ala substitution|Val->Gly substitution; atomic difference: -3C,-6H|-3C,-6H|-3C,-6H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931667%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H26OS) with delta m/z -40.051 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931668%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H24O2) with delta m/z -40.032 (putative explanation: Descyclopropyl, dealkenation|Pro->Gly substitution; atomic difference: -3C,-4H|-3C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931669%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H36O2) with delta m/z -29.975 (putative explanation: Glu->Val substitution|Reduction of nitro to amide; atomic difference: 2H,-2O|2O,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931670%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H26O3) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931671%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H30O2) with delta m/z -27.995 (putative explanation: Asp->Ser substitution|Glu->Thr substitution|Pyrrolidone from Proline|Secondary amine cleavage, decarbonylation; atomic difference: -1C,-1O|-1C,-1O|-1C,-1O|-1C,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931672%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H24O4) with delta m/z -26.052 (putative explanation: Leu/Ile->Ser substitution; atomic difference: -3C,-6H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931673%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H28O3) with delta m/z -26.015 (putative explanation: Alkyl loss (typically partial loss from ring)|Pro->Ala substitution; atomic difference: -2C,-2H|-2C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931674%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H26O4) with delta m/z -24.037 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931675%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H30O3) with delta m/z -23.999 (putative explanation: nan (reverse); atomic difference: -2C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931676%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H32O3) with delta m/z -21.984 (putative explanation: glyoxal-derived AGE (reverse)|Sodium adduct (reverse); atomic difference: -2C,2H|1H,-1Na)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931677%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H24O2) with delta m/z -16.031 (putative explanation: Leu/Ile->Pro substitution; atomic difference: -1C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931678%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H30O2) with delta m/z -15.995 (putative explanation: Ser->Ala substitution|Tyr->Phe substitution|reduction; atomic difference: -1O|-1O|-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931679%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H23NO2) with delta m/z -15.041 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931680%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C11H27N5O2) with delta m/z -14.999 (putative explanation: Glu->Asn substitution; atomic difference: -1C,-1H,1N,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931681%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H24O7) with delta m/z -14.071 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931682%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H20N6O2) with delta m/z -14.052 (putative explanation: Lys->Asn substitution; atomic difference: -2C,-6H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931683%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H28O3) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931684%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H30O) with delta m/z -13.981 (putative explanation: Asp->Thr substitution; atomic difference: 2H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931685%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H22O5) with delta m/z -12.073 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931686%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H26O4) with delta m/z -12.036 (putative explanation: Leu/Ile->Thr substitution|Val->Ser substitution|Dealkylation+hydroxylation; atomic difference: -2C,-4H,1O|-2C,-4H,1O|2C,4H,-1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931687%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H30O3) with delta m/z -12.0 (putative explanation: formaldehyde adduct (reverse)|methylation and reduction (reverse)|nan (reverse); atomic difference: -1C|-1C|-1C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931688%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H34O2) with delta m/z -11.964 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931689%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C11H20N6O3) with delta m/z -10.057 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931690%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H26O5) with delta m/z -8.042 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931691%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C16H30O4) with delta m/z -8.005 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931692%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H28O3) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931693%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H29N2O5) with delta m/z -1.011 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931694%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H21N6O) with delta m/z 0.964 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931695%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H28O4) with delta m/z 1.979 (putative explanation: Val->Thr substitution|Demethylation+hydroxylation (on same or differing sites); atomic difference: -1C,-2H,1O|1O,-1C,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931696%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C14H28N6O) with delta m/z 2.016 (putative explanation: Pro->Val substitution|reduction; atomic difference: 2H|2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931697%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H30N5O) with delta m/z 2.027 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931698%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H36O2) with delta m/z 2.05 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931699%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H34O3) with delta m/z 4.032 (putative explanation: x2 reduction; atomic difference: 4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931700%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H26O2) with delta m/z 9.984 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931701%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H24O3) with delta m/z 11.964 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931702%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H30O3) with delta m/z 12.0 (putative explanation: formaldehyde adduct|methylation and reduction|unspecified; atomic difference: 1C|1C|1C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931703%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H38O) with delta m/z 12.073 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931704%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H30O5) with delta m/z 13.979 (putative explanation: Thr->Asp substitution|Tryptophan oxidation to oxolactone|aldehyde and ketone modifications|hydroxylation difference carboxylation|proline oxidation to pyroglutamic acid|Oxidation, epoxidation; atomic difference: -2H,1O|-2H,1O|-2H,1O|-2H,1O|-2H,1O|1O,-2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931705%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H32O3) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931706%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C13H29N2O6) with delta m/z 14.981 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931707%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C10H29N8O3) with delta m/z 15.02 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931708%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C12H28N3O4S) with delta m/z 15.958 (putative explanation: Leu/Ile->Glu substitution|Val->Asp substitution|Demethylation+carboxylation; atomic difference: -1C,-4H,2O|-1C,-4H,2O|2O,-1C,-4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931709%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H30O4) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931710%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H34O3) with delta m/z 16.031 (putative explanation: Pro->Leu/Ile substitution|unspecified; atomic difference: 1C,4H|1C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931711%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H38O2) with delta m/z 16.067 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931739%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H34O5) with delta m/z 60.021 (putative explanation: unspecified|unspecified; atomic difference: 2C,4H,2O|2H,3N,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931712%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C14H30N6O2) with delta m/z 20.026 (putative explanation: Formation of five membered aromatic heterocycle (reverse); atomic difference: 4H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931713%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H34O3) with delta m/z 22.039 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931714%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C15H34N3O2P) with delta m/z 25.03 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931715%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H32O3) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931716%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C22H40O) with delta m/z 26.089 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931717%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H26O5) with delta m/z 27.958 (putative explanation: Tryptophan oxidation to beta-unsaturated-2,4-bis-tryptophandione; atomic difference: -4H,2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931718%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H28O3) with delta m/z 27.995 (putative explanation: Formylation|Ser->Asp substitution|Thr->Glu substitution; atomic difference: 1C,1O|1C,1O|1C,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931719%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H34O3) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931720%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H36NO2) with delta m/z 28.055 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931721%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C11H31N8O3) with delta m/z 29.031 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931722%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H37NO2) with delta m/z 29.063 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931723%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H32O4) with delta m/z 30.011 (putative explanation: Ala->Thr substitution|Gly->Ser substitution|desmethylation + reduction of sulfoxide|formaldehyde induced modifications|hydroxymethyl; atomic difference: 1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931724%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H26O6) with delta m/z 31.953 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931725%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H30O5) with delta m/z 31.99 (putative explanation: (Di)hydroxylation|Pro->Glu substitution|dihydroxy; atomic difference: 2O|2O|2O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931726%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H34O4) with delta m/z 32.026 (putative explanation: unspecified; atomic difference: 1C,4H,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931727%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H34O3) with delta m/z 34.039 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931728%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H28O4) with delta m/z 37.978 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931729%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H30O2) with delta m/z 38.015 (putative explanation: Acrolein addition +38|unspecified; atomic difference: 3C,2H|3C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931730%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H30O4) with delta m/z 39.994 (putative explanation: extra OH sodium adduct|Glyoxal-derived hydroimiadazolone|S-carbamoylmethylcysteine cyclization (N-terminus)|unspecified; atomic difference: 1H,1O|2C,1O|2C,1O|2C,1O)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931731%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H34O3) with delta m/z 40.031 (putative explanation: Gly->Pro substitution|Propionaldehyde +40|unspecified; atomic difference: 3C,4H|3C,4H|3C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931732%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H36O3) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931733%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C20H36O4) with delta m/z 46.042 (putative explanation: unspecified|unspecified; atomic difference: 2C,6H,1O|4H,3N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931734%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C22H30O3) with delta m/z 48.0 (putative explanation: Val->Phe substitution; atomic difference: 4C)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931735%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C22H34O3) with delta m/z 52.032 (putative explanation: unspecified; atomic difference: 4C,4H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931736%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C19H26N2O3) with delta m/z 53.989 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931737%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C22H36O2) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931738%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H39NO3) with delta m/z 59.074 (putative explanation: unspecified; atomic difference: 3C,9H,N)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931740%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C21H40O4) with delta m/z 62.073 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931741%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C24H36O3) with delta m/z 78.046 (putative explanation: 2,5-dimethypyrrole|unspecified; atomic difference: 6C,6H|6C,6H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931742%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C17H36N6O3) with delta m/z 78.067 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931743%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C14H38N10O2) with delta m/z 84.094 (putative explanation: unspecified; atomic difference: unspecified)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009931744%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula: C18H32O3) with delta m/z 2.016 (putative explanation: Pro->Val substitution|reduction; atomic difference: 2H|2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00009988539%Suspect related to Spectral Match to 13-Keto-9Z,11E-octadecadienoic acid from NIST14 (predicted molecular formula: C20H32O3) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H)%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005751211%Massbank:UT000097 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005751418%Massbank:UT000095 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005751467%Massbank:UT000098 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005751674%Massbank:UT000092 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005752073%Massbank:UT000094 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005752109%Massbank:UT000096 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005752257%Massbank:UT000091 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005752736%Massbank:UT000099 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00005752862%Massbank:UT000093 13-KODE|13-keto-9Z,11E-octadecadienoic acid/13-oxo-9Z,11E-octadecadienoic acid|13-OxoODE|13-DODE%3"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091781%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H18O2 / BUDDY: C12H18O2) with delta m/z -100.089 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091782%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H22O2 / BUDDY: C13H22O2) with delta m/z -84.058 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091783%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H20O3 / BUDDY: C12H20O3) with delta m/z -82.078 (putative explanation: nan (reverse); atomic difference: -6C,-10H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091784%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H23NO2 / BUDDY: C13H23NO2) with delta m/z -69.047 (putative explanation: nan (reverse); atomic difference: -3C,-5H,-2N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091785%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H22O3 / BUDDY: C13H22O3) with delta m/z -68.062 (putative explanation: Alkyl ring loss; atomic difference: -5C,-8H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091786%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H22O3 / BUDDY: C15H22O3) with delta m/z -44.062 (putative explanation: nan (reverse); atomic difference: -3C,-8H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091787%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H26O2 / BUDDY: C16H26O2) with delta m/z -44.026 (putative explanation: Dealkoxylation, dehydroxyethylation|Thr->Gly substitution; atomic difference: -1C,-2H,-1O|-2C,-4H,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091788%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H24O3 / BUDDY: C16H24O3) with delta m/z -30.047 (putative explanation: nan (reverse); atomic difference: -2C,-6H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091789%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H31N2S / BUDDY: C15H36OS) with delta m/z -29.975 (putative explanation: Glu->Val substitution|Reduction of nitro to amide; atomic difference: 2H,-2O|2O,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091790%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H29N2O4 / BUDDY: C10H27N5O3) with delta m/z -29.015 (putative explanation: nan (reverse)|deamidation followed by esterification with ethanol (reverse); atomic difference: -1H,-2N|-2C,-3H,1N,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091791%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H26O3 / BUDDY: C16H26O3) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091792%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H28O2 / BUDDY: C18H28O2) with delta m/z -18.011 (putative explanation: Dehydration|Pyro-glu from E|carbodiimide crosslinker; atomic difference: -2H,-1O|-2H,-1O|-2H,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091793%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C8H24N10O / BUDDY: C17H28N2O) with delta m/z -17.997 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091794%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H29N2O4 / BUDDY: C16H27N3O) with delta m/z -17.009 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091795%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H26O3 / BUDDY: C17H26O3) with delta m/z -16.031 (putative explanation: Leu/Ile->Pro substitution; atomic difference: -1C,-4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091796%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H30O2 / BUDDY: C18H30O2) with delta m/z -15.995 (putative explanation: Ser->Ala substitution|Tyr->Phe substitution|reduction; atomic difference: -1O|-1O|-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091797%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H32N3S / BUDDY: C18H33NO) with delta m/z -14.963 (putative explanation: Amine oxidation (reverse)|alpha-amino adipic acid (reverse); atomic difference: -2O,1N-3H|3H,1N,-2O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091798%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H24O4 / BUDDY: C16H24O4) with delta m/z -14.052 (putative explanation: Lys->Asn substitution; atomic difference: -2C,-6H,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091799%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H28O3 / BUDDY: C17H28O3) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091800%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H32O2 / BUDDY: C18H32O2) with delta m/z -13.981 (putative explanation: Asp->Thr substitution; atomic difference: 2H,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091801%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H32O / BUDDY: C20H32O) with delta m/z -5.974 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091802%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H33NO / BUDDY: C19H33NO) with delta m/z -2.964 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091803%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H28O3 / BUDDY: C18H28O3) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091804%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H34O3 / BUDDY: C19H32O2) with delta m/z -1.98 (putative explanation: Thr->Val substitution; atomic difference: 1C,2H,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091805%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H29N2O5 / BUDDY: C14H31NO3S) with delta m/z -1.011 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091806%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H31N2O5 / BUDDY: C12H25N9) with delta m/z 1.003 (putative explanation: C isotope; atomic difference: (13)C) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091807%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H33NO2 / BUDDY: C18H33NO2) with delta m/z 1.031 (putative explanation: transamination; atomic difference: transformation) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091808%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H30N3O3S / BUDDY: C17H28O4) with delta m/z 1.979 (putative explanation: Val->Thr substitution|Demethylation+hydroxylation (on same or differing sites); atomic difference: -1C,-2H,1O|1O,-1C,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091809%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H30NO3P / BUDDY: C15H28N4O2) with delta m/z 1.999 (putative explanation: S isotope|Cl isotope|Br isotope|Glu->Met substitution; atomic difference: (34)S|(37)Cl|(81)Br|2H,-2O,1S) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091810%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H32O3 / BUDDY: C18H32O3) with delta m/z 2.016 (putative explanation: Pro->Val substitution|reduction; atomic difference: 2H|2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091811%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H36O2 / BUDDY: C19H36O2) with delta m/z 2.05 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091812%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H30O4 / BUDDY: C17H30O4) with delta m/z 3.995 (putative explanation: Pro->Thr substitution|tryptophan oxidation to kynurenin|Oxidative cleavage; atomic difference: -1C,1O|-1C,1O|1O,-1C) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091813%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H34O3 / BUDDY: C18H34O3) with delta m/z 4.032 (putative explanation: x2 reduction; atomic difference: 4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091814%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H32O4 / BUDDY: C19H30O3) with delta m/z 12.0 (putative explanation: formaldehyde adduct|methylation and reduction|unspecified; atomic difference: 1C|1C|1C) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091815%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H36O3 / BUDDY: C20H34O2) with delta m/z 12.036 (putative explanation: Ser->Val substitution|Thr->Leu/Ile substitution; atomic difference: 2C,4H,-1O|2C,4H,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091816%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H24N2O3S2 / BUDDY: C16H20O6) with delta m/z 13.905 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091817%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H28O4 / BUDDY: C18H28O4) with delta m/z 13.979 (putative explanation: Thr->Asp substitution|Tryptophan oxidation to oxolactone|aldehyde and ketone modifications|hydroxylation difference carboxylation|proline oxidation to pyroglutamic acid|Oxidation, epoxidation; atomic difference: -2H,1O|-2H,1O|-2H,1O|-2H,1O|-2H,1O|1O,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091818%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H32O4S / BUDDY: C16H28N4S) with delta m/z 13.988 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091819%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H32O3 / BUDDY: C19H32O3) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091820%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C14H33N2O5 / BUDDY: C13H27N9) with delta m/z 15.02 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091821%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H35NO2 / BUDDY: C19H35NO2) with delta m/z 15.048 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091822%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H30O4 / BUDDY: C18H30O4) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091823%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H34O5 / BUDDY: C18H32O4) with delta m/z 18.01 (putative explanation: Proline oxidation to 5-hydroxy-2-aminovaleric acid|water; atomic difference: 2H,1O|2H,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091824%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H34O2S / BUDDY: C21H30O2) with delta m/z 20.006 (putative explanation: Oxidised 13C4 labelled Methionine; atomic difference: -4C,4C[13],1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091825%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H30N2O5 / BUDDY: C20H30O3) with delta m/z 24.0 (putative explanation: unspecified; atomic difference: 2C) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091826%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H32O3 / BUDDY: C20H32O3) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091827%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H35NO2 / BUDDY: C20H35NO2) with delta m/z 27.047 (putative explanation: Thr->Lys substitution|ethyl amino; atomic difference: 2C,5H,1N,-1O|2C,5H,1N,-1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091828%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H22O6 / BUDDY: C13H18N6O4) with delta m/z 27.92 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091829%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H34O3 / BUDDY: C20H34O3) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091830%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H36N2O3P / BUDDY: C14H29N9) with delta m/z 29.031 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091831%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H28O5 / BUDDY: C18H28O5) with delta m/z 29.974 (putative explanation: Val->Glu substitution|quinone|Methyl carboxylation, other oxidation|unspecified; atomic difference: -2H,2O|-2H,2O|2O,-2H|2O,-2H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091832%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H36O3 / BUDDY: C20H36O3) with delta m/z 30.047 (putative explanation: unspecified; atomic difference: 2C,6H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091833%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H34O4 / BUDDY: C19H34O4) with delta m/z 32.026 (putative explanation: unspecified; atomic difference: 1C,4H,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091834%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C14H31N7O2 / BUDDY: C18H35NO4) with delta m/z 35.037 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091835%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H30N2OS / BUDDY: C16H26N6O2) with delta m/z 39.994 (putative explanation: extra OH sodium adduct|Glyoxal-derived hydroimiadazolone|S-carbamoylmethylcysteine cyclization (N-terminus)|unspecified; atomic difference: 1H,1O|2C,1O|2C,1O|2C,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091836%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H16O5 / BUDDY: C16H20N2O2S2) with delta m/z 41.877 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091837%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H32O4 / BUDDY: C20H32O4) with delta m/z 42.01 (putative explanation: Acetylation|Ser->Glu substitution|unspecified; atomic difference: 2C,2H,1O|2C,2H,1O|3N) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091838%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H30O5 / BUDDY: C19H30O5) with delta m/z 43.991 (putative explanation: Ala->Asp substitution|Carboxylation; atomic difference: 1C,2O|1C,2O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091839%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H40O2P / BUDDY: C19H37NO4) with delta m/z 49.053 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091840%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H35NO5 / BUDDY: C18H35NO5) with delta m/z 51.032 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091841%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H30O5 / BUDDY: C20H30O5) with delta m/z 55.988 (putative explanation: DST crosslinker cleaved by sodium periodate|unspecified; atomic difference: 2C,2O|2C,2O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091842%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H34O4 / BUDDY: C17H30N6O2) with delta m/z 56.026 (putative explanation: unspecified|Acrolein addition +56|Propionate labeling reagent light form (N-term & K)|unspecified; atomic difference: 1C,2H,3N|3C,4H,1O|3C,4H,1O|3C,4H,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091843%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C22H38O3 / BUDDY: C22H38O3) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091844%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H32O5 / BUDDY: C16H28N6O3) with delta m/z 58.005 (putative explanation: Ala->Glu substitution|Gly->Asp substitution|Iodoacetic acid derivative|unspecified|unspecified; atomic difference: 2C,2H,2O|2C,2H,2O|2C,2H,2O|2C,2H,2O|3N,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091845%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H34O5 / BUDDY: C20H34O5) with delta m/z 60.021 (putative explanation: unspecified|unspecified; atomic difference: 2C,4H,2O|2H,3N,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091846%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H28O6 / BUDDY: C19H26N4OS) with delta m/z 63.962 (putative explanation: SulfurDioxide; atomic difference: 2O,1S) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091847%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H36O5 / BUDDY: C21H36O5) with delta m/z 74.035 (putative explanation: unspecified|unspecified; atomic difference: 1C,4H,3N,1O|3C,6H,2O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091848%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H36N3O2P / BUDDY: C21H31N5O) with delta m/z 75.032 (putative explanation: unspecified|unspecified; atomic difference: 2C,5H,1N,2O|3H,4N,1O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091849%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H34O6 / BUDDY: C21H34O6) with delta m/z 88.016 (putative explanation: unspecified; atomic difference: unspecified) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091850%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C23H36O6 / BUDDY: C18H36N2O8) with delta m/z 114.031 (putative explanation: Glutarylation|Water-quenched monolink of BS2-G crosslinker; atomic difference: 5C,6H,3O|5C,6H,3O) [M+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091851%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C10H12O / BUDDY: C10H14O2) with delta m/z -128.121 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091852%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H20O / BUDDY: C12H20O) with delta m/z -114.069 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091853%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H20O2 / BUDDY: C12H20O2) with delta m/z -98.074 (putative explanation: Acetone chemical artifact (reverse); atomic difference: -6C,-10H,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091854%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C11H16O2 / BUDDY: C11H18O3) with delta m/z -96.093 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091855%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C11H16O4 / BUDDY: C11H16O4) with delta m/z -82.115 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091856%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H20O3 / BUDDY: C12H20O3) with delta m/z -82.078 (putative explanation: nan (reverse); atomic difference: -6C,-10H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091857%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H24O2 / BUDDY: C13H24O2) with delta m/z -82.042 (putative explanation: NHS-Diazirine crosslinker (reverse)|nan (reverse); atomic difference: -5C,-6H,-1O|-5C,-6H,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091858%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H26O / BUDDY: C15H26O) with delta m/z -72.022 (putative explanation: Ethyl formate loss|Glu->Gly substitution; atomic difference: -3C,-4H,-2O|-3C,-4H,-2O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00004684215%3%13-OxoODE"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091860%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H22O3 / BUDDY: C13H22O3) with delta m/z -68.062 (putative explanation: Alkyl ring loss; atomic difference: -5C,-8H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091861%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H22O4 / BUDDY: C12H22O4) with delta m/z -64.068 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091862%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H30O3 / BUDDY: C16H26O) with delta m/z -60.021 (putative explanation: nan (reverse)|nan (reverse); atomic difference: -2C,-4H,-2O|-2H,-3N,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091863%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H24O2 / BUDDY: C15H24O2) with delta m/z -58.042 (putative explanation: N-dealkoxylation, O-dealkoxylation; atomic difference: -3C,-6H,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091864%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: unknown / BUDDY: C11H28N2O3) with delta m/z -58.006 (putative explanation: Asp->Gly substitution|Enzymatic glycine removal leaving an amidated C-terminus|Glu->Ala substitution|Hydrolysis, loss of acetic acid, loss of methylester; atomic difference: -2C,-2H,-2O|-2C,-2H,-2O|-2C,-2H,-2O|-2C,-2H,-2O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091865%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C14H22O3 / BUDDY: C14H22O3) with delta m/z -56.062 (putative explanation: Dealkylation|Leu/Ile->Gly substitution; atomic difference: -4C,-8H|-4C,-8H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091866%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C14H28O3 / BUDDY: C14H28O3) with delta m/z -50.015 (putative explanation: Phe->Pro substitution; atomic difference: -4C,-2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091867%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H26O2 / BUDDY: C16H26O2) with delta m/z -44.026 (putative explanation: Dealkoxylation, dehydroxyethylation|Thr->Gly substitution; atomic difference: -1C,-2H,-1O|-2C,-4H,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091868%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H30O / BUDDY: C17H30O) with delta m/z -43.99 (putative explanation: Asp->Ala substitution|Decarboxylation; atomic difference: -1C,-2O|-1C,-2O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091869%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H24O3 / BUDDY: C15H24O3) with delta m/z -42.047 (putative explanation: Deisopropylation, depropylation, dealkylation|Leu/Ile->Ala substitution|Val->Gly substitution; atomic difference: -3C,-6H|-3C,-6H|-3C,-6H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091870%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H26OS / BUDDY: C18H22O) with delta m/z -40.051 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091871%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H24O2 / BUDDY: C15H26O3) with delta m/z -40.032 (putative explanation: Descyclopropyl, dealkenation|Pro->Gly substitution; atomic difference: -3C,-4H|-3C,-4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091872%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H36O2 / BUDDY: C18H32O) with delta m/z -29.975 (putative explanation: Glu->Val substitution|Reduction of nitro to amide; atomic difference: 2H,-2O|2O,-2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091873%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H26O3 / BUDDY: C16H26O3) with delta m/z -28.031 (putative explanation: Desethylation, didemethylation, dealkylation|Met->Cys substitution|Val->Ala substitution; atomic difference: -2C,-4H|-2C,-4H|-2C,-4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091874%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H30O2 / BUDDY: C17H30O2) with delta m/z -27.995 (putative explanation: Asp->Ser substitution|Glu->Thr substitution|Pyrrolidone from Proline|Secondary amine cleavage, decarbonylation; atomic difference: -1C,-1O|-1C,-1O|-1C,-1O|-1C,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091875%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H24O4 / BUDDY: C15H24O4) with delta m/z -26.052 (putative explanation: Leu/Ile->Ser substitution; atomic difference: -3C,-6H,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091876%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H28O3 / BUDDY: C16H28O3) with delta m/z -26.015 (putative explanation: Alkyl loss (typically partial loss from ring)|Pro->Ala substitution; atomic difference: -2C,-2H|-2C,-2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091877%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H26O4 / BUDDY: C15H26O4) with delta m/z -24.037 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091878%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H30O3 / BUDDY: C16H30O3) with delta m/z -23.999 (putative explanation: nan (reverse); atomic difference: -2C) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091879%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H32O3 / BUDDY: C16H32O3) with delta m/z -21.984 (putative explanation: glyoxal-derived AGE (reverse)|Sodium adduct (reverse); atomic difference: -2C,2H|1H,-1Na) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091880%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H24O2 / BUDDY: C17H26O3) with delta m/z -16.031 (putative explanation: Leu/Ile->Pro substitution; atomic difference: -1C,-4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091881%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H30O2 / BUDDY: C18H30O2) with delta m/z -15.995 (putative explanation: Ser->Ala substitution|Tyr->Phe substitution|reduction; atomic difference: -1O|-1O|-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091882%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H23NO2 / BUDDY: C12H21N7O) with delta m/z -15.041 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091883%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C11H27N5O2 / BUDDY: C11H29N5O3) with delta m/z -14.999 (putative explanation: Glu->Asn substitution; atomic difference: -1C,-1H,1N,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091884%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H24O7 / BUDDY: C12H24O7) with delta m/z -14.071 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091885%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H20N6O2 / BUDDY: C12H20N6O2) with delta m/z -14.052 (putative explanation: Lys->Asn substitution; atomic difference: -2C,-6H,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091886%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H28O3 / BUDDY: C17H28O3) with delta m/z -14.016 (putative explanation: Ala->Gly substitution|Gln->Asn substitution|Glu->Asp substitution|Leu/Ile->Val substitution|Thr->Ser substitution; atomic difference: -1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H|-1C,-2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091887%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H30O / BUDDY: C18H32O2) with delta m/z -13.981 (putative explanation: Asp->Thr substitution; atomic difference: 2H,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091888%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H22O5 / BUDDY: C11H18N6O3) with delta m/z -12.073 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091889%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H26O4 / BUDDY: C16H26O4) with delta m/z -12.036 (putative explanation: Leu/Ile->Thr substitution|Val->Ser substitution|Dealkylation+hydroxylation; atomic difference: -2C,-4H,1O|-2C,-4H,1O|2C,4H,-1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091890%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H30O3 / BUDDY: C17H30O3) with delta m/z -12.0 (putative explanation: formaldehyde adduct (reverse)|methylation and reduction (reverse)|nan (reverse); atomic difference: -1C|-1C|-1C) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091891%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H34O2 / BUDDY: C18H34O2) with delta m/z -11.964 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091892%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C11H20N6O3 / BUDDY: C10H24N2O7) with delta m/z -10.057 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091893%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H26O5 / BUDDY: C15H26O5) with delta m/z -8.042 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091894%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C16H30O4 / BUDDY: C16H30O4) with delta m/z -8.005 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091895%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H28O3 / BUDDY: C18H28O3) with delta m/z -2.016 (putative explanation: 2-amino-3-oxo-butanoic_acid|Intact disulfide bridge|Val->Pro substitution; atomic difference: -2H|-2H|-2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091896%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H29N2O5 / BUDDY: C11H27N5O4) with delta m/z -1.011 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091897%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H21N6O / BUDDY: C11H21N9O) with delta m/z 0.964 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091898%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H28O4 / BUDDY: C17H28O4) with delta m/z 1.979 (putative explanation: Val->Thr substitution|Demethylation+hydroxylation (on same or differing sites); atomic difference: -1C,-2H,1O|1O,-1C,-2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091899%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C14H28N6O / BUDDY: C14H28N6O) with delta m/z 2.016 (putative explanation: Pro->Val substitution|reduction; atomic difference: 2H|2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091900%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H30N5O / BUDDY: C12H32N4O4) with delta m/z 2.027 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091901%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H36O2 / BUDDY: C19H36O2) with delta m/z 2.05 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091902%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H34O3 / BUDDY: C18H34O3) with delta m/z 4.032 (putative explanation: x2 reduction; atomic difference: 4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091903%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H26O2 / BUDDY: C19H28O3) with delta m/z 9.984 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091904%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H24O3 / BUDDY: C14H22N6O2) with delta m/z 11.964 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091905%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H30O3 / BUDDY: C19H30O3) with delta m/z 12.0 (putative explanation: formaldehyde adduct|methylation and reduction|unspecified; atomic difference: 1C|1C|1C) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091906%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H38O / BUDDY: C21H38O) with delta m/z 12.073 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091907%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H30O5 / BUDDY: C18H28O4) with delta m/z 13.979 (putative explanation: Thr->Asp substitution|Tryptophan oxidation to oxolactone|aldehyde and ketone modifications|hydroxylation difference carboxylation|proline oxidation to pyroglutamic acid|Oxidation, epoxidation; atomic difference: -2H,1O|-2H,1O|-2H,1O|-2H,1O|-2H,1O|1O,-2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091908%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H32O3 / BUDDY: C19H32O3) with delta m/z 14.016 (putative explanation: Asn->Gln substitution|Asp->Glu substitution|Gly->Ala substitution|Methylation|Ser->Thr substitution|Val->Leu/Ile substitution|chain elongation; atomic difference: 1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H|1C,2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091909%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C13H29N2O6 / BUDDY: C16H27N3O3) with delta m/z 14.981 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091910%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C10H29N8O3 / BUDDY: C12H31N5O4) with delta m/z 15.02 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091911%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C12H28N3O4S / BUDDY: C14H30O5S) with delta m/z 15.958 (putative explanation: Leu/Ile->Glu substitution|Val->Asp substitution|Demethylation+carboxylation; atomic difference: -1C,-4H,2O|-1C,-4H,2O|2O,-1C,-4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091912%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H30O4 / BUDDY: C18H30O4) with delta m/z 15.995 (putative explanation: Ala->Ser substitution|Oxidation or Hydroxylation|Phe->Tyr substitution; atomic difference: 1O|1O|1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091913%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H34O3 / BUDDY: C19H34O3) with delta m/z 16.031 (putative explanation: Pro->Leu/Ile substitution|unspecified; atomic difference: 1C,4H|1C,4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091914%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H38O2 / BUDDY: C20H38O2) with delta m/z 16.067 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091915%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C14H30N6O2 / BUDDY: C17H34N2OS) with delta m/z 20.026 (putative explanation: Formation of five membered aromatic heterocycle (reverse); atomic difference: 4H,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091916%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H34O3 / BUDDY: C18H36O4) with delta m/z 22.039 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091917%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C15H34N3O2P / BUDDY: C15H33N3O4) with delta m/z 25.03 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091918%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H32O3 / BUDDY: C20H32O3) with delta m/z 26.016 (putative explanation: Acetaldehyde +26|Ala->Pro substitution|unspecified; atomic difference: 2C,2H|2C,2H|2C,2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091919%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C22H40O / BUDDY: C22H40O) with delta m/z 26.089 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091920%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H26O5 / BUDDY: C18H26O5) with delta m/z 27.958 (putative explanation: Tryptophan oxidation to beta-unsaturated-2,4-bis-tryptophandione; atomic difference: -4H,2O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091921%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H28O3 / BUDDY: C19H30O4) with delta m/z 27.995 (putative explanation: Formylation|Ser->Asp substitution|Thr->Glu substitution; atomic difference: 1C,1O|1C,1O|1C,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091922%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H34O3 / BUDDY: C20H34O3) with delta m/z 28.031 (putative explanation: Acetaldehyde +28|Ala->Val substitution|Cys->Met substitution|Ethylation|di-Methylation; atomic difference: 2C,4H|2C,4H|2C,4H|2C,4H|2C,4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091923%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H36NO2 / BUDDY: C18H34N4O) with delta m/z 28.055 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091924%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C11H31N8O3 / BUDDY: C18H33N3O2) with delta m/z 29.031 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091925%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H37NO2 / BUDDY: C20H37NO2) with delta m/z 29.063 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091926%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H32O4 / BUDDY: C19H32O4) with delta m/z 30.011 (putative explanation: Ala->Thr substitution|Gly->Ser substitution|desmethylation + reduction of sulfoxide|formaldehyde induced modifications|hydroxymethyl; atomic difference: 1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O|1C,2H,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091927%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H26O6 / BUDDY: C17H26O6) with delta m/z 31.953 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091928%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C18H30O5 / BUDDY: C18H30O5) with delta m/z 31.99 (putative explanation: (Di)hydroxylation|Pro->Glu substitution|dihydroxy; atomic difference: 2O|2O|2O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091929%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H34O4 / BUDDY: C19H34O4) with delta m/z 32.026 (putative explanation: unspecified; atomic difference: 1C,4H,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091930%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H34O3 / BUDDY: C19H36O4) with delta m/z 34.039 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091931%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H28O4 / BUDDY: C20H28O4) with delta m/z 37.978 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091932%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H30O2 / BUDDY: C21H32O3) with delta m/z 38.015 (putative explanation: Acrolein addition +38|unspecified; atomic difference: 3C,2H|3C,2H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091933%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H30O4 / BUDDY: C16H26N6O2) with delta m/z 39.994 (putative explanation: extra OH sodium adduct|Glyoxal-derived hydroimiadazolone|S-carbamoylmethylcysteine cyclization (N-terminus)|unspecified; atomic difference: 1H,1O|2C,1O|2C,1O|2C,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091934%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H34O3 / BUDDY: C21H34O3) with delta m/z 40.031 (putative explanation: Gly->Pro substitution|Propionaldehyde +40|unspecified; atomic difference: 3C,4H|3C,4H|3C,4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091935%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H36O3 / BUDDY: C21H36O3) with delta m/z 42.047 (putative explanation: Ala->Leu/Ile substitution|Gly->Val substitution|Propyl|tri-Methylation|unspecified; atomic difference: 3C,6H|3C,6H|3C,6H|3C,6H|3C,H6) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091936%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H36O4 / BUDDY: C20H36O4) with delta m/z 46.042 (putative explanation: unspecified|unspecified; atomic difference: 2C,6H,1O|4H,3N) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091937%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C22H30O3 / BUDDY: C18H26N6O) with delta m/z 48.0 (putative explanation: Val->Phe substitution; atomic difference: 4C) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091938%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C22H34O3 / BUDDY: C22H34O3) with delta m/z 52.032 (putative explanation: unspecified; atomic difference: 4C,4H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091939%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C19H26N2O3 / BUDDY: C19H28N2O4) with delta m/z 53.989 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091940%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C22H36O2 / BUDDY: C22H38O3) with delta m/z 56.062 (putative explanation: Diethylation, analogous to Dimethylation|Gly->Leu/Ile substitution; atomic difference: 4C,8H|4C,8H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091941%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H39NO3 / BUDDY: C21H39NO3) with delta m/z 59.074 (putative explanation: unspecified; atomic difference: 3C,9H,N) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091942%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C20H34O5 / BUDDY: C20H34O5) with delta m/z 60.021 (putative explanation: unspecified|unspecified; atomic difference: 2C,4H,2O|2H,3N,1O) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091943%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C21H40O4 / BUDDY: C21H40O4) with delta m/z 62.073 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091944%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C24H36O3 / BUDDY: C24H36O3) with delta m/z 78.046 (putative explanation: 2,5-dimethypyrrole|unspecified; atomic difference: 6C,6H|6C,6H) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091945%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C17H36N6O3 / BUDDY: C21H40O5) with delta m/z 78.067 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"gnps","external_db_code":"CCMSLIB00012091946%Suspect related to 13-Keto-9Z,11E-octadecadienoic acid (predicted molecular formula SIRIUS: C14H38N10O2 / BUDDY: C24H42O3) with delta m/z 84.094 (putative explanation: unspecified; atomic difference: unspecified) [M-H2O+H]+%4"},{"external_db_name":"npmrd","external_db_code":"NP0007823"},{"external_db_name":"cmmc","external_db_code":"https://cmmc-kb.gnps2.org/structurepage/?inchikey=JHXAZBBVQSRKJR-QNQPVOBRSA-N"}],"classyfire":{"class":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003909","name":"Fatty Acyls","chemont_id":"CHEMONTID:0003909","description":"Organic molecules synthesized by chain elongation of an acetyl-CoA primer with malonyl-CoA (or methylmalonyl-CoA) groups that might contain a cyclic functionality and/or are substituted with heteroatoms."},"smiles":"CCCCCC(=O)\\C=C/C=C/CCCCCCCC(O)=O","kingdom":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000000","name":"Organic compounds","chemont_id":"CHEMONTID:0000000","description":"Compounds that contain at least one carbon atom, excluding isocyanide/cyanide and their non-hydrocarbyl derivatives, thiophosgene, carbon diselenide, carbon monosulfide, carbon disulfide, carbon subsulfide, carbon monoxide, carbon dioxide, Carbon suboxide, and dicarbon monoxide."},"inchikey":"InChIKey=JHXAZBBVQSRKJR-QNQPVOBRSA-N","subclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000504","name":"Lineolic acids and derivatives","chemont_id":"CHEMONTID:0000504","description":"Derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions."},"ancestors":["Acryloyl compounds","Alpha,beta-unsaturated carbonyl compounds","Alpha,beta-unsaturated ketones","Carbonyl compounds","Carboxylic acids","Carboxylic acids and derivatives","Chemical entities","Enones","Fatty Acyls","Fatty acids and conjugates","Hydrocarbon derivatives","Ketones","Lineolic acids and derivatives","Lipids and lipid-like molecules","Long-chain fatty acids","Monocarboxylic acids and derivatives","Organic acids and derivatives","Organic compounds","Organic oxides","Organic oxygen compounds","Organooxygen compounds","Unsaturated fatty acids"],"superclass":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000012","name":"Lipids and lipid-like molecules","chemont_id":"CHEMONTID:0000012","description":"Fatty acids and their derivatives, and substances related biosynthetically or functionally to these compounds."},"description":"This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.","substituents":["Octadecanoid","Long-chain fatty acid","Unsaturated fatty acid","Fatty acid","Acryloyl-group","Enone","Alpha,beta-unsaturated ketone","Ketone","Monocarboxylic acid or derivatives","Carboxylic acid","Carboxylic acid derivative","Organic oxide","Organic oxygen compound","Organooxygen compound","Hydrocarbon derivative","Carbonyl group","Aliphatic acyclic compound"],"direct_parent":{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000504","name":"Lineolic acids and derivatives","chemont_id":"CHEMONTID:0000504","description":"Derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions."},"intermediate_nodes":[],"alternative_parents":[{"url":"http://classyfire.wishartlab.com/tax_nodes/C0002949","name":"Long-chain fatty acids","chemont_id":"CHEMONTID:0002949","description":"Fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000339","name":"Unsaturated fatty acids","chemont_id":"CHEMONTID:0000339","description":"Fatty acids with a chain that contains at least one CC double bond."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001363","name":"Enones","chemont_id":"CHEMONTID:0001363","description":"Compounds containing the enone functional group, with the structure RC(=O)CR'."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000275","name":"Acryloyl compounds","chemont_id":"CHEMONTID:0000275","description":"Organic compounds containing the acryloyl functional group (which has the core fragment but-3-en-2-one)."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0000118","name":"Ketones","chemont_id":"CHEMONTID:0000118","description":"Organic compounds  in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001137","name":"Monocarboxylic acids and derivatives","chemont_id":"CHEMONTID:0001137","description":"Carboxylic acids containing exactly one carboxyl groups."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0001205","name":"Carboxylic acids","chemont_id":"CHEMONTID:0001205","description":"Compounds containing a carboxylic acid group with the formula -C(=O)OH."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0003940","name":"Organic oxides","chemont_id":"CHEMONTID:0003940","description":"Organic compounds containing an oxide group."},{"url":"http://classyfire.wishartlab.com/tax_nodes/C0004150","name":"Hydrocarbon derivatives","chemont_id":"CHEMONTID:0004150","description":"Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."}],"molecular_framework":"Aliphatic acyclic compounds","external_descriptors":[],"predicted_chebi_terms":["long-chain fatty acid (CHEBI:15904)","unsaturated fatty acid (CHEBI:27208)","enone (CHEBI:51689)","olefinic compound (CHEBI:78840)","ketone (CHEBI:17087)","monocarboxylic acid (CHEBI:25384)","carboxylic acid (CHEBI:33575)","organic oxide (CHEBI:25701)","organic molecule (CHEBI:72695)","lipid (CHEBI:18059)","chemical entity (CHEBI:24431)","organooxygen compound (CHEBI:36963)","oxygen molecular entity (CHEBI:25806)","organic molecular entity (CHEBI:50860)","carbonyl compound (CHEBI:36586)","alpha,beta-unsaturated ketone (CHEBI:51721)","organic acid (CHEBI:64709)","carboxylic acid anion (CHEBI:29067)"],"classification_version":"2.1","predicted_lipidmaps_terms":["Fatty Acids and Conjugates (FA01)","Unsaturated fatty acids (FA0103)","Fatty Acyls (FA)"]},"npclassifier":{"isglycoside":false,"class_results":["Other Octadecanoids","Unsaturated fatty acids"],"pathway_results":["Fatty acids"],"superclass_results":["Octadecanoids","Fatty Acids and Conjugates"]}}