Metabolomics

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GNPS Human AKR1C3 Binds Agonists of GPR84 and Participates in an Expanded Polyamine Pathway (Pyrone Family Networking Analysis)


ABSTRACT: 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: C3onlyoldmsms: 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); 211-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);. Reversed-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)

INSTRUMENT(S): 6550 iFunnel Q-TOF LC/MS

ORGANISM(S): Escherichia Coli (ncbitaxon:562) Homo Sapiens (ncbitaxon:9606)

SUBMITTER: Jason Crawford  

PROVIDER: MSV000095067 | GNPS | Tue Jun 18 09:40:00 BST 2024

REPOSITORIES: GNPS

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