GNPSapplication/xmlftp://massive-ftp.ucsd.edu/v07/MSV000094574/primaryOK200MetabolomicsBenjamin C OrsburnQ ExactiveHomo Sapiens (ncbitaxon:9606)https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=518f8428662d45d1992d0b7525b2bd36borsbur1@jhmi.eduJohns HopkinsGNPS45MS:1002864 - No post-translational-modifications are included in the identified peptides of this datasetfalseGNPS - Analysis of nicotinamide based anti-aging supplements in 2024 by untargeted high resolution mass spectrometry"Anti-aging" supplements purported to contain nicotinamide based compounds were obtained from a variety of sources. Samples were extracted in a solution of 60% methanol at a 1:20 to 1:100 ratio based on pilot tests on solubilization of material. Extracts were clarified by high speed centrifugation, dried by speedvac and diluted to a 1:100 to 1:500 g/g ratio of the original material in 5% acetonitrile in LCMS grade water. Samples were analyzed on a Q Exactive Classic system coupled to a Dionex UHPLC using a 15cm x 2.1mm HyperSil gold column with 1.5um particles (Thermo, all). A 20 minute method with a data dependent top 3 method was used with each sample analyzed in triplicate, separately in each polarity. The output files were analyzed in Compound Discoverer 3.3 SP2 using a combination of libraries as described in the manuscript. Standards were obtained from MilliPore Sigma for Nicotinamide and derivatives for retention time matching and concentation estimations. Sat Apr 20 06:27:00 BST 2024MSV000094574