GNPS Quantification and validation (MRM) of analysis - compounds isolated from Heteropterys umbellata (Malpighiaceae)

Analyses of Heteropterys umbellata (Malpighiaceae) stems and leaves extracts. Plants were collected in two different Brazilian States (Sao Paulo and Minas Gerais). Dried plant material was extracted with EtOH80%. Positive ionization mode analyses. LC-MS/MS analyses were performed in a Shimadzu HPLC using a Phenomenex C18-Luna (250 mm x 4.6 mm, 5.0 um) column and an Amazon SL (Bruker Daltonics) mass spectrometer (ion trap) equipped with an ESI source. Multiple reaction monitoring (MRM) mode for quantification of isolated compounds. The transitions 499.10->319.10, 501.10->365.10, 602.20->466.10, and 296.10->278.00 were chosen to monitor 3,5-di-O-caffeoylquinic acid (isochlorogenic acid A); 1,2,6-tris-O-[3-nitropropanoyl]-beta-glucopyranose (karakin); 1,2,3,6-tetrakis-O-[3-nitropropanoyl]-beta-glucopyranose; and sodium diclofenac (used as internal standard), respectively.