Deep insight into the minor fraction of virgin olive oil by using LC-MS and GC-MS multi-class methodologies

Exploring the Capability of LC‐MS and GC‐MS Multi‐Class Methods to Discriminate Virgin Olive Oils from Different Geographical Indications and to Identify Potential Origin Markers

“…The MS/MS library search allowed the annotation of diosmetin (a luteolin derivative commonly found in VOO) [27] and MetFrag supported two possible candidate structures provided by Compound Crawler for m/z 217.1592 (Rt 8.91 min) and m/z 235.1333 (Rt 6.44 min), which were tentatively annotated as hexyl cinnamaldehyde and 4-octylbenzoic acid, respectively ( Figure S4, Supporting Information). In this case, just 5 out of the 14 selected markers were available in our experimentally created Analyte List (apigenin, luteolin, elenolic acid (isomers a and b) and ligstroside aglycon (isomer a)).…”

“…[27] The transfer line was kept at 290 C. The optimized source parameters for the APCI interface were: 2000 V for capillary voltage, 2000 nA for corona discharge, 3.5 bar for nebulizer pressure, 2.5 L min À1 for dry gas flow and dry temperature of 280 C. Tune parameters of the QqTOF analyzer in GC-MS analyses were set as follows: 200 Vpp for funnel 1 RF, 100 Vpp for funnel 2 RF, 50 Vpp for hexapole RF, 4 eV for the quadrupole ion energy, 8 eV for the collision energy, 300 Vpp for the collision RF, transfer time of 100 μs and pre pulse storage of 2 μs. 1 μL of the silylated extract was injected at a split ratio of 1:20 with an injector temperature of 250 C. Analytes were separated with the oven temperature initially kept at 150 C for 5 min and ramped afterwards to 320 C at a rate of 4 C min À1 (keeping that value for 5 extra min), according to the previously reported chromatographic conditions.…”

“…[27] As mentioned in section 2.4, the LLE protocol used for preparing the EVOO extracts was the result of a modification carried out to simplify the procedure and to facilitate the supernatant www.advancedsciencenews.com www.ejlst.com collection after the centrifugation step. [27] As mentioned in section 2.4, the LLE protocol used for preparing the EVOO extracts was the result of a modification carried out to simplify the procedure and to facilitate the supernatant www.advancedsciencenews.com www.ejlst.com collection after the centrifugation step.…”

Evaluating Quality Parameters, the Metabolic Profile, and Other Typical Features of Selected Commercial Extra Virgin Olive Oils from Brazil

“…Phenolic compounds, pentacyclic triterpenes, and free fatty acids were simultaneously determined by RP-LC-MS, preceded by unselective liquid-liquid extraction (protocol adapted from [ 27 ]). The EVOO polar fraction was extracted in duplicate by adding 10.0 mL of EtOH:H 2 O (60:40, v / v ) to 1.0 g of oil, followed by vortex agitation for 3 min and centrifugation (8000 rpm, 5 min, room temperature; Sigma 2-16P centrifuge, rotor 12181; Osterode, Germany); the polar phase was collected and the oil-phase was re-extracted twice with 10.0 mL of EtOH:H 2 O (80:20, v / v ).…”

“…The importance of some of these minor components is irrefutable; these substances can be used for the appraisal of VOO quality, purity, authenticity, and typicity [ 23 ], and they are linked to the oil’s shelf-life, sensory attributes, and several of its health-promoting effects [ 24 ]. Their determination has traditionally been intricate due to their heterogeneity and relatively low concentrations, but the development of multi-class methods has recently generated great expectations [ 25 , 26 , 27 ], as they can clearly increase the analytical throughput, providing data on a great number of substances within a single analysis.…”