GNPS unttargeted metabolomic analysis of: Coffea canephora methanolic extract from Cordoba, Veracruz, Mexico

ABSTRACT: We analyzed unroasted coffee beans extract of the species Coffea canephora (San Felipe coffee company, Mexico) grown and harvested in Cordoba, Veracruz, Mexico. The unroasted coffee beans were ground using a burr mill. Ground coffee was added to absolute methanol at 1:10 ratio. The mixture was subjected to magnetic stirring at 1000 rpm for 1 h at room temperature. Following this, the mixture was filtered with a 0.20 uM syringe filter and concentrated in a vacuum evaporator Rocket Synergy (Genevac, UK) at 50 celsius and <30 mBar for 2 h. The resulting solid was stored protected from light at -20 celsius for further UPLC-MS/MS analysis. Mass spectrometry was conducted using a QTRAP 6500+ system (Sciex, Canada) equipped with an ESI Turbo ion spray interface operating in both positive and negative ion modes. The source temperature was 550 celsius, and the ion spray voltage was 5500 V (positive mode) or -4500 V (negative mode). CUR, GSI, and GSII were maintained at 25, 50, and 60 psi, respectively. Collision-induced dissociation was set to high, and metabolite detection was performed in MRM mode using nitrogen as the collision gas. Data acquisition was managed with Analyst 1.6.3 software (Sciex, Canada), monitoring MRM ion pairs according to the metabolites' elution times.

INSTRUMENT(S): QTRAP 6500+

ORGANISM(S): Coffea Canephora (ncbitaxon:49390)

SUBMITTER: Aldo Moreno Ulloa  

PROVIDER: MSV000097479 | GNPS | Tue Apr 01 12:01:00 BST 2025

REPOSITORIES: GNPS