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Munteanu"],"technology_type":["Mass Spectrometry","Data-independent acquisition"],"software":[""],"submitter_keywords":["Stereoisomers","Liquid chromatography","Mass spectrometry"],"full_dataset_link":["https://www.ebi.ac.uk/pride/archive/projects/PXD077492"],"sample_protocol":["Native tyrosinase derived peptides were treated with hydrogen peroxide and peptide positional sulfoxide isomers fractions were collected following reversed-phase (RP) C18 HPLC separation coupled with UV-Vis detection. Stereosimers were obtained in the second dimenstion of separation by using a Lux ®Cellulose 4 (250 × 4.6 mm, 3 µm) column coupled with UV-Vis and CD detection. The fractions contaiiing the separated stereisomers were further analyzed by nanoLC-MS/MS using a targeted method for the selection of ion fragmentation. Briefly the m/z corresponding to the each peptide sulfoxide stereoismer was selected for fragmentation in the linear ion trap using Collision Induced Dissociation (CID) at Collision Energy (CE) of 30.0 or in the Higher-energy Collision-induced Dissociation (HCD) cell."],"repository":["Pride"],"quantification_method":["Not available"],"modification":[""],"data_protocol":["The obtained raw files were converted to .mgf format using Proteome Discoverer v2.5 and further analyzed using Skyline software."],"omics_type":["Proteomics"],"labhead":["Cristian (V.A.) Munteanu"],"instrument_platform":[""],"labhead_affiliation":["Institute of Biochemistry of the Romanian Academy (IBRA) - Department of Bioinformatics and Structural Biochemistry (DBSB), Applied Proteomics and Interactomics group, Head of Protein Chemistry Facility (PCF)"],"submission_type":["PARTIAL"],"species":["Homo Sapiens (human)","Mus Musculus (mouse)"],"submitter_mail":["cristian.v.a.munteanu@gmail.com"],"publication":["42065779 Stănescu LM, Aramă CC, Chirițoiu GN, Petrescu AJ, Petrescu ȘM, Munteanu CVA. A new strategy to separate peptide methionine sulfoxides stereoisomers for potential immunotherapy application. Anal Bioanal Chem. 2026 10.1007/s00216-026-06507-0"],"submitter_affiliation":["Institute of Biochemistry of the Romanian Academy (IBRA)"],"submitter_country":["Romania"],"pubmed_abstract":["Peptide-based immunotherapy is a promising cancer treatment due to its scalability and patient-centered approach; therefore, there is an increasing focus on discovering neoantigens or modified peptides which could elicit a better immune response. We recently found that the methionine sulfoxide variant of YMDGTMSQV, an immunogenic tyrosinase derived epitope, elicits a stronger immune response compared to the native one. Here, we address the separation of six MHC I-restricted tyrosinase-derived peptides methionine sulfoxide stereoisomers (YMNGTMSQV, YMDGTMSQV, YMQGTMSQV, YMDGVMSQV, FMNGTMSQV, FMDGTMSQV) using offline two-dimensional high-performance liquid chromatography coupled with UV/Vis-Circular Dichroism detection. For all analyzed peptides, using our methodology, we observed that placing the sulfoxide on the methionine in sixth position results in no enantiodiscrimination, suggesting the net contribution of the N-terminus tyrosine or phenylalanine π electrons in separation. We show how modifying the amino acids in the vicinities of the methionine-sulfoxide residues results in the ablation of the chiral discrimination. We also render our methodology analytical to semi-preparative level. We describe the stereoisomers stability and capture differences regarding their propensity towards oxidation, our results suggesting that the substitution of the N-terminus tyrosine to phenylalanine could be involved in this process. We analyzed the tandem mass spectrometry fragmentation patterns of the separated optic isomers and search for clues about their discrimination. Moreover, we found that the stereoisomers are similar recognized by specific HLA compared with the racemic variant. Our methodology could be valuable for potential applications in an enantiomer-specific peptide-based immunotherapy selection."],"pubmed_title":["A new strategy to separate peptide methionine sulfoxides stereoisomers for potential immunotherapy application."],"pubmed_authors":["Stănescu Lucian-Mihai LM, Aramă Corina-Cristina CC, Chirițoiu Gabriela N GN, Petrescu Andrei J AJ, Petrescu Ștefana M ȘM, Munteanu Cristian V A CVA"],"additional_accession":[]},"is_claimable":false,"name":"LC-MS/MS analysis of peptide methionine sulfoxides stereoisomers","description":"The current dataset contains the raw LC-MS/MS data and the results obtained following analysis of Tyrosinase-derived peptide sulfoxide stereoisomers obtained by a 2D offline High-Performance Liquid Chromatography (HPLC)approach coupled with UV-Vis and Circular Dichroism (CD) detection.","dates":{"publication":"2026-05-04","submission":"2026-04-22"},"accession":"PXD077492","cross_references":{"TAXONOMY":["NEWT:3555","NEWT:71647","NEWT:330879","NEWT:35554","NEWT:32046","NEWT:544496","NEWT:2042546","NEWT:32049","NEWT:1392696","NEWT:259447","NEWT:295546","NEWT:45351","NEWT:445974","NEWT:43179","NEWT:180454","NEWT:5722","NCBITaxon:1280","NEWT:1129","NEWT:309807","NEWT:55153","NEWT:309800","NEWT:281395","NEWT:1211601","NEWT:876138","NEWT:44271","NEWT:10036","NEWT:1590","NEWT:498019","NEWT:1351","NEWT:1438992","NEWT:1352","NEWT:2649997","NEWT:1147161","NEWT:638632","NEWT:263737","NEWT:224326","NEWT:1333499","NCBITaxon:79857","NEWT:1096976","NEWT:5702","NEWT:95648","NEWT:1589","NEWT:135622","NEWT:1349","NEWT:96731","NEWT:383379","NEWT:10029","NEWT:913645","NEWT:44491","NEWT:556484","NEWT:317447","NEWT:4688","NEWT:7955","NEWT:7959","NEWT:2261","NEWT:31156","NEWT:3112","NEWT:4442","NEWT:192875","NEWT:12637","NEWT:59729","NEWT:2164133","NEWT:108061","NEWT:1316931","NEWT:224308","NEWT:3347","NEWT:511145","NEWT:931281","NEWT:4432","NEWT:658457","NEWT:1310161","NEWT:77133","NEWT:295358","NEWT:145481","NCBITaxon:79824","NEWT:2246","NCBITaxon:4563","NEWT:5755","NEWT:44689","NEWT:44447","NEWT:752555","NEWT:498211","NEWT:5759","NEWT:1736231","NEWT:5518","NEWT:398007","NEWT:1392","NEWT:498217","NEWT:498216","NEWT:2242","NEWT:11320","NEWT:286","NEWT:391619","NEWT:246196","NEWT:287","NEWT:246197","NEWT:633149","NEWT:10239","NEWT:44685","NEWT:161934","NEWT:4897","NEWT:1148","NEWT:5508","NEWT:5507","NEWT:410661","NEWT:55571","NEWT:35500","NEWT:1140","NCBITaxon:2157","NEWT:1143","NEWT:4896","NEWT:1287689","NEWT:1390","NEWT:11557","NEWT:1094343","NEWT:1336795","NEWT:644042","NEWT:294","NEWT:1773","NEWT:1182590","NEWT:3712","NEWT:82380","NEWT:3711","NEWT:935293","NEWT:375146","NEWT:2065263","NEWT:118698","NEWT:1616117","NEWT:263","NEWT:118696","NEWT:52283","NEWT:284812","NEWT:8175","NEWT:43330","NEWT:1603293","NEWT:408169","NEWT:44664","NEWT:47946","NEWT:3702","NEWT:243277","NEWT:7067","NEWT:118694","NEWT:2850","NEWT:118691","NEWT:33548","NEWT:274","NEWT:408172","NEWT:408170","NEWT:96794","NEWT:3708","NEWT:332648","NEWT:44670","NEWT:536231","NEWT:376219","NEWT:1436733","NEWT:460519","NEWT:1247411","NEWT:572307","NEWT:1432138","NEWT:1424507","NEWT:1194599","NEWT:272844","NEWT:9483","NEWT:333760","NEWT:1513458","NEWT:1233681","NCBITaxon:40559","NEWT:506599","NEWT:84588","NEWT:1679718","NEWT:480","NEWT:67767","NEWT:46835","NEWT:109757","NEWT:582580","NEWT:300852","NEWT:1502","NEWT:376686","NEWT:95486","NEWT:508771","NEWT:1883446","NEWT:253","NCBITaxon:2759","NEWT:1233435","NEWT:93061","NEWT:93062","NCBITaxon:4932","NEWT:644223","NEWT:235443","NEWT:108458","NEWT:272623","NEWT:272624","NEWT:320637","NEWT:983964","NEWT:118499","NEWT:11706","NEWT:32644","NEWT:527796","NEWT:499175","NEWT:109779","NEWT:3745","NEWT:1715989","NCBITaxon:4751","NEWT:476272","NEWT:3747","NEWT:195051","NEWT:3988","NEWT:1255228","NEWT:649908","NEWT:410289","NEWT:373153","NEWT:3983","NEWT:352472","NEWT:1071661","NEWT:360094","NEWT:470","NEWT:41364","NEWT:1313","NEWT:39491","NCBITaxon:5811","NEWT:29491","NEWT:2014887","NEWT:33952","NEWT:261756","NEWT:571256","NEWT:40483","NEWT:63366","NEWT:63367","NEWT:215402","NEWT:272634","NEWT:9031","NEWT:1872122","NEWT:7091","NEWT:141262","NEWT:108931","NEWT:1055524","NEWT:4087","NEWT:9778","NEWT:306","NEWT:150475","NEWT:303","NEWT:267872","NEWT:7111","NEWT:347515","NEWT:9534","NEWT:5180","NEWT:256737","NEWT:4090","NEWT:4092","NEWT:9541","NEWT:8694","NEWT:4093","NEWT:4096","NEWT:8692","NEWT:185579","NEWT:941442","NEWT:13076","NEWT:1226408","NEWT:7108","NEWT:40479","NEWT:43989","NEWT:4076","NEWT:317","NEWT:1006581","NEWT:885318","NEWT:39488","NEWT:550","NEWT:4081","NEWT:273068","NEWT:554","NEWT:98334","NEWT:451516","NEWT:4084","NEWT:63577","NEWT:36185","NEWT:1225786","NEWT:7574","NEWT:1715256","NEWT:30640","NEWT:575412","NEWT:929793","NEWT:29204","NEWT:28112","NEWT:114155","NEWT:6494","NEWT:6491","NEWT:507601","NEWT:186441","NEWT:643680","NEWT:214092","NCBITaxon:6157","NEWT:6239","NEWT:162425","NEWT:216257","NEWT:102169","NEWT:9986","NEWT:4054","NEWT:8654","NEWT:8658","NEWT:1268063","NEWT:8655","NEWT:1263854","NEWT:118503","NEWT:2059687","NEWT:160488","NEWT:28104","NEWT:207559","NEWT:407821","NCBITaxon:2","NEWT:985076","NEWT:1215323","NEWT:986","NEWT:52641","NEWT:7159","NEWT:28532","NEWT:353152","NEWT:8496","NEWT:27448","NEWT:40674","NEWT:1194669","NEWT:243230","NEWT:1080772","NEWT:519","NEWT:8479","NEWT:8485","NEWT:6063","NEWT:49240","NEWT:104395","NEWT:6289","NEWT:6287","NEWT:300641","NEWT:727","NEWT:9796","NEWT:725","NEWT:469008","NEWT:256318","NEWT:9321","NEWT:206411","NCBITaxon:6191","NEWT:596153","NEWT:229533","NEWT:1836","NEWT:214053","NEWT:80863","NEWT:105231","NEWT:74649","NEWT:52638","NEWT:57075","NEWT:4097","NEWT:8697","NEWT:8695","NEWT:884204","NEWT:9785","NEWT:6279","NEWT:1123869","NEWT:9544","NEWT:7370","NEWT:83906","NCBITaxon:780","NCBITaxon:1502","NEWT:6282","NEWT:1134506","NEWT:38783"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