{"database":"GNPS","file_versions":[{"headers":{"Content-Type":["application/json"]},"body":{"files":{"Other":["ftp://massive-ftp.ucsd.edu/v08/MSV000095067/"]},"type":"primary"},"statusCode":"OK","statusCodeValue":200}],"scores":null,"additional":{"omics_type":["Metabolomics"],"submitter":["Jason Crawford"],"instrument_platform":["6550 iFunnel Q-TOF LC/MS"],"species":["Escherichia Coli (ncbitaxon:562)","Homo Sapiens (ncbitaxon:9606)"],"full_dataset_link":["https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=6e63e85a303b47bda997ed8ebbbca6b6"],"submitter_email":["jason.crawford@yale.edu"],"submitter_affiliation":["Yale University"],"sample_protocol":[""],"repository":["GNPS"],"file_size":["3"],"ptm_modification":["MS:1002864 - No post-translational-modifications are included in the identified peptides of this dataset"],"data_protocol":[""],"additional_accession":[]},"is_claimable":false,"name":"GNPS Human AKR1C3 Binds Agonists of GPR84 and Participates in an Expanded Polyamine Pathway (Pyrone Family Networking Analysis)","description":"Files used for networking analysis of in vitro pulldown metabolomics with AKR1C3 recombinantly expressed and purified from E. coli BL21 (DE3). Alpha-Pyrone family was identified as pulldown products and networking analysis was performed with a representative tandem MS file (1 files from triplicates was chosen randomly). Corresponding conditions of 2 uploaded files: \nC3onlyoldmsms: Tandem MS file containing alpha pyrone family members (m/z 127.0395, 237.1488, 239.1641, 265.1797, 267.1953, 293.2109 correspond to alpha-pyrones of varying fatty acid chain lengths and saturations) pull downed from enzyme (AKR1C3) only condition with NADPH co-factor added in PBS buffer and quenched with acetonitrile (30% final volume); \n211-natural-tandem: Tandem MS file of pyrone-211 metabolite pull downed from enzyme (AKR1C3) only condition with NADPH co-factor added in PBS buffer and quenched with acetonitrile (30% final volume);.  \nReversed-phase chromatography was performed with a Kinetex (Cat. # 00G-4601-E0) 5 um C18 100 A column (250 by 4.6 mm), using a water:acetonitrile gradient containing 0.1% formic acid at 0.7 mL/min flow rate: 0-30 min, 10% to 100% acetonitrile. Positive mode (qTOF)","dates":{"publication":"Tue Jun 18 09:40:00 BST 2024"},"accession":"MSV000095067","cross_references":{}}