Accela 600 uhplc system

For the LC/MS analysis (Thermo Fisher Scientific, Bremen, Germany), an LTQ OrbiTrap XL mass spectrometer linked to an Accela 600 UHPLC system running in the positive and negative ionization mode (heated electrospray ionization or HESI) was used. For separation, a Syncronis C18 analytical column (50 × 2.1 mm, 1.7 μm particle size) was used with a gradient of two mobile phases (0.1% HCOOH in ultrapure water and 0.1% HCOOH in acetonitrile MS grade). Prior reports on UHPLC conditions and MS parameters are provided in Zengin et al. [64 (link)]. The molecule editor program ChemDraw (version 12.0, CambridgeSoft, Cambridge, MA, USA) was used for the structure drawings and for calculating the precise masses of the compounds of interest.
Xcalibur software (ver. 2.1, Thermo Fisher Scientific, Waltham, MA, USA) was used for the instrument control and data analysis. Some of the compounds for which no standards were available were tentatively identified using previously reported MS fragmentation data [65 (link),66 ].
Chemical profiling of the methanol extracts of the petals was assessed using an advanced LC/MS method (UHPLC–LTQ–Orbitrap–MS). The deprotonated molecule mass [M−H]⁻ and MS², MS³, and MS⁴ fragmentation behaviors were used for the identification of compounds in the extract, with the assistance of the data available in the literature.

For LC/MS analysis (Thermo Fisher Scientific, Bremen, Germany) an LTQ OrbiTrap XL mass spectrometer linked to an Accela 600 UHPLC system running in positive and negative ionization mode (heated electrospray ionization, or HESI) was used. For separation, a Syncronis C18 analytical column (50 2.1 mm, 1.7 m particle size) was used. Prior reports on UHPLC conditions and MS parameters are provided in Zengin et al. [109 (link)]. The molecule editor program ChemDraw (version 12.0, CambridgeSoft, Cambridge, MA, USA) was used for structure drawing and for calculating the precise masses of the compounds of interest.
Xcalibur software (ver. 2.1, Thermo Fisher Scientific, Waltham, MA, USA) was used for instrument control and data analysis. Some of the compounds for which no standards were available were tentatively identified using previously reported MS fragmentation data [110 (link),111 ].
Chemical profiling of the methanolic extract of the petals was assessed by an advanced LC/MS method (UHPLC-LTQ-Orbitrap-MS). Deprotonated molecule mass [M-H]⁻ and MS², MS³, and MS⁴ fragmentation behavior were used for the identification of compounds in the extract with the assistance of the available literature data.