G2 q tof mass spectrometer

Manufactured by Waters Corporation

Sourced in United States, United Kingdom

The G2 Q-TOF mass spectrometer is a high-resolution, accurate-mass (HRAM) instrument designed for analytical applications. It utilizes quadrupole time-of-flight (Q-TOF) technology to provide precise mass measurements and structural information about chemical compounds.

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Synapt G2S quadrupole-time-of-flight (Q-TOF) mass spectrometer Synapt G2S quadrupole-ion mobility separation-time-of-flight (Q-IMS-TOF) mass spectrometer Waters Xevo G2S Q TOF mass spectrometer Q-TOF Xevo G2S mass spectrometer

14 protocols using g2 q tof mass spectrometer

Polyphenolic Compounds Analysis in Grapevine Hybrids

Cited 1 time

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The analysis of polyphenolic compounds was performed according to Wojdyło and Nowicka [17 (link)]. Analysis of polyphenolic compounds in grapevines hybrids fruit was carried out using an Acquity UPLC system (Waters Corp., Milford, MA, USA) equipped with a PDA and FL detector with mass detector G2 Q/TOF mass spectrometer (Waters, Manchester, UK). The determination of the phenolic components was carried out via the retention time (Rt) and the accurate molecular masses both at negative and positive ion mode. The anthocyanins were read at 520 nm, flavonols at 360 nm, flavan-3-ols at 280 nm, and phenolic acids at 320 nm. All samples were measured in triplicate, and the results were expressed as mg per 1 kg of fresh mass.

Olędzki R., Lutosławski K., Nowicka P., Wojdyło A, & Harasym J. (2022). Non-Commercial Grapevines Hybrids Fruits as a Novel Food of High Antioxidant Activity. Foods, 11(15), 2216.

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Analytical Techniques for Natural Product Characterization

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Melting points were recorded by X-5 micromelting-point apparatus. Optical rotations were measured on a Rudolph IV Autopol automatic polarimeter at 25 °C (Rudolph, New Jersey, USA). ECD spectra were measured on a JASCO J-810 spectropolarimeter (JASCO Corporation, Tokyo, Japan). IR spectra were recorded on a Thermo Nicolet Nexus 470 FT-IR spectrometer (Thermo, Pennsylvania, USA). NMR spectra were measured on a Bruker Advance 400 and 500 FT NMR spectrometers using TMS as the internal standard (Bruker, Karlsruhe, Germany). HRESIMS spectra were obtained from Xevo G2 Q-TOF mass spectrometer (Waters, Massachusetts, USA). Materials for column chromatography involved silica gel (200–300 mesh, Qingdao Marine Chemical Plant, Qingdao, China), Sephadex LH-20 (18–110 μm, Amersham Pharmacia Biotech AB, Uppsala, Sweden), and ODS gel (50 μm, YMC, Japan). Precoated silica gel plates (Merck, Kieselgel 60 F254, 0.25 mm) were used for TLC analysis. HPLC chromatography was performed on a Waters e2695 Separation Module (Waters, Milford, CT, USA) coupled with a Waters 2998 photodiode array detector (Waters, Milford, CT, USA). A Kromasil C18 semipreparative HPLC column (250 × 10 mm, 5 μm) (EKS Chemicals, Bohus, Sweden) was used for compound purification.

Wu Z., Liu D., Huang J., Proksch P., Zhu K, & Lin W. (2018). Hansforesters A–M, polyesters from the sponge-associated fungus Hansfordia sinuosae with antibacterial activities. RSC Advances, 8(69), 39756-39768.

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Intact Protein Analysis by LC-MS

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Intact protein LC-MS analyses were performed on a Waters Acquity nano-UPLC in line with a Waters G2 Q-TOF mass spectrometer. Protein samples (10 μg/mL) were directly infused onto a mass spectrometer through a syringe pump with flow rate 1 μL/min. The G2 Q-TOF mass spectrometer was run in positive ion, high resolution mode with detection in the range of 600 to 2300 m/z. Source parameters were as follows: capillary voltage, 2.50 kV; source temperature, 90°C; desolvation temperature, 200°C; cone gas flow: 20 L/h; the desolvation gas flow, 500 L/h. The protein peak was deconvoluted by the MassLynx MaxEnt1 function according to the following parameters: output resolution, 1.0 Da/channel; output mass range, 35–85 KDa; uniform Gaussian width at half height, 0.75 Da; minimum intensity ratios, 30% for left and right; iteration to convergence for completion.

Lin H.T., Massam-Wu T., Lin C.P., Wang Y.J., Shen Y.C., Lu W.J., Hsu P.H., Chen Y.H., Borges-Walmsley M.I, & Walmsley A.R. (2017). The Vibrio cholerae var regulon encodes a metallo-β-lactamase and an antibiotic efflux pump, which are regulated by VarR, a LysR-type transcription factor. PLoS ONE, 12(9), e0184255.

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Phenolic Profiling of Black Garlic

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Determination of phenolics in black garlic and black garlic after different treatments was performed as described by Nowicka et al. [65 (link)] using an Acquity UPLC system (Waters, Milford, MA, USA) with a photodiode and a fluorescence detector with the mass detector G2 Qtof mass spectrometer (Waters, Manchester, UK). The absorbance values of flavan-3-ols and phenolic acids were read at 280 nm, and 320 nm, respectively. The content of polymeric procyanidins was analyzed by the phloroglucinol method [66 (link)]. All samples were measured in triplicate, and the results were expressed as mg per 100 g dry mass.

Masztalerz K., Dróżdż T., Nowicka P., Wojdyło A., Kiełbasa P, & Lech K. (2023). The Effect of Nonthermal Pretreatment on the Drying Kinetics and Quality of Black Garlic. Molecules, 28(3), 962.

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Efficient Solvent-Free Synthetic Protocols

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All anhydrous solvents
and reagents were obtained from commercial suppliers and used without
further purification. Evaporation of solvent was carried out using
a rotary evaporator under reduced pressure at a bath temperature of
up to 60 °C. Flash column chromatography was carried out using
a Biotage purification system using SNAP KP-Sil cartridges or on reverse-phase
mode using SNAP Ultra C18 cartridges. Semipreparative separations
were carried out using an Agilent 1200 series preparative HPLC instrument
over a 15 min gradient elution. Microwave-assisted reactions were
carried out using a Biotage Initiator microwave system. Final compounds
were purified to ≥95% purity. NMR data were collected on a
Bruker Avance 500 spectrometer equipped with a 5 mm BBO/QNP probe
or on a Bruker Avance Neo 600 spectrometer equipped with a 5 mm TCI
CryoProbe. NMR data are presented in the form of chemical shift δ
(multiplicity, coupling constants, integration) for major diagnostic
protons, given in parts per million (ppm) relative to tetramethylsilane
(TMS), referenced to the internal deuterated solvent. HRMS was assessed
using an Agilent 1200 series HPLC instrument and diode array detector
coupled to a 6120 time-of-flight mass spectrometer with dual multimode
APCI/ESI source or on a Waters Acquity UHPLC and diode array detector
coupled to a Waters G2 QToF mass spectrometer fitted with a multimode
ESI/APCI source.

Bellenie B.R., Cheung K.M., Varela A., Pierrat O.A., Collie G.W., Box G.M., Bright M.D., Gowan S., Hayes A., Rodrigues M.J., Shetty K.N., Carter M., Davis O.A., Henley A.T., Innocenti P., Johnson L.D., Liu M., de Klerk S., Le Bihan Y.V., Lloyd M.G., McAndrew P.C., Shehu E., Talbot R., Woodward H.L., Burke R., Kirkin V., van Montfort R.L., Raynaud F.I., Rossanese O.W, & Hoelder S. (2020). Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. Journal of Medicinal Chemistry, 63(8), 4047-4068.

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UPLC-TOF-MS Protocol for Compound Analysis

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UPLC conditions were as follows: a Waters Acquity UPLC BEH C18 column (2.1 mm× 100 mm, 1.7 µm) was used as the chromatographic column. The column temperature was set at 40°C, the flow rate was 0.3 mL/min, the injection volume was 5 µL, the mobile phase was composed of 0.1% formic acid aqueous solution (A) and acetonitrile (B), and the chromatographic separation was carried out by gradient elution, where the gradient sequence was as follows: 0–2 min, 5–10% B; 2–6 min, 10–30% B; 6–10 min, 30–50% B; 10–15 min, 50–80% B; 15–20 min, 80–100% B; 20–25 min, 100% B; 25–30 min, 100–5% B; and 30–35 min, 5% B.
TOF-MS conditions were as follows: mass spectrometry was performed using a Waters G2 Q-TOF mass spectrometer, equipped with a negative mode electrospray ionization source. The capillary voltage was −2.4 kV, the cone voltage was 40 V, the source temperature was 120°C, the desolvation temperature was 400°C, the desolvation gas was 800 L/h, and the cone gas was 50 L/h, using leucine enkephalin (m/z 554.2615) as an external reference. In order to ensure the accuracy of the data acquisition, the full-scan data in the range of 100–1500 Da were obtained.

Jinbiao L., Xinyue Z., Shenshen Y., Shuo W., Chengcheng L., Bin Y., Yubo L, & Ting C. (2022). Rapid Identification of Characteristic Chemical Constituents of Panax ginseng, Panax quinquefolius, and Panax japonicus Using UPLC-Q-TOF/MS. Journal of Analytical Methods in Chemistry, 2022, 6463770.

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Purification and Characterization of Organic Compounds

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All anhydrous solvents
and reagents were obtained from commercial suppliers and used without
further purification. Evaporation of the solvent was carried out using
a rotary evaporator at reduced pressure at a bath temperature of up
to 60 °C. Flash column chromatography was carried out using a
Biotage purification system using SNAP KP-Sil or Sfar cartridges or
in the reverse-phase mode using SNAP Ultra C18 cartridges. Semipreparative
separations were carried out using a 1200 Series preparative HPLC
over a 15 min gradient elution. Microwave-assisted reactions were
carried out using a Biotage Initiator microwave system. The final
compounds were purified to ≥95% purity. NMR data were collected
on a Bruker Avance 500 spectrometer equipped with a 5 mm BBO/QNP probe
or on a Bruker Avance Neo 600 spectrometer equipped with a 5 mm TCI
Cryo-Probe. NMR data are presented in the form of chemical shift δ
(multiplicity, coupling constants, and integration) for major diagnostic
protons, given in parts per million (ppm) relative to tetramethylsilane
(TMS), referenced to the internal deuterated solvent. HRMS was assessed
using an Agilent 1200 series HPLC and diode array detector coupled
to a 6120 time of flight mass spectrometer with a dual multimode APCI/ESI
source or on a Waters Acquity UHPLC and diode array detector coupled
to a Waters G2 QToF mass spectrometer fitted with a multimode ESI/APCI
source.

Huckvale R., Harnden A.C., Cheung K.M., Pierrat O.A., Talbot R., Box G.M., Henley A.T., de Haven Brandon A.K., Hallsworth A.E., Bright M.D., Akpinar H.A., Miller D.S., Tarantino D., Gowan S., Hayes A., Gunnell E.A., Brennan A., Davis O.A., Johnson L.D., de Klerk S., McAndrew C., Le Bihan Y.V., Meniconi M., Burke R., Kirkin V., van Montfort R.L., Raynaud F.I., Rossanese O.W., Bellenie B.R, & Hoelder S. (2022). Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo. Journal of Medicinal Chemistry, 65(12), 8191-8207.

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Verification of L,L-NSDAP and Analogues

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Verification of the identity and masses of L,L-NSDAP and its acyl analogues were sought by negative ion mode ES-MS of a 5 μM sample of either substrate in 50% (v/v) acetonitrile using a Waters G2 Q-TOF mass spectrometer, calibrated with sodium iodide and operating at a capillary voltage of 1.5 kV. The purity of L,L-NSDAP and L,L-NGDAP was determined by TLC on cellulose plates developed in methanol:water:concentrated hydrochloric acid:pyridine (90:7.5:2.5:10)34 (link), sprayed with 1% (w/v) ninhydrin in ethanol and heated in an oven for a few minutes to develop the purple staining of ninhydrin positive species.

Usha V., Lloyd A.J., Roper D.I., Dowson C.G., Kozlov G., Gehring K., Chauhan S., Imam H.T., Blindauer C.A, & Besra G.S. (2016). Reconstruction of diaminopimelic acid biosynthesis allows characterisation of Mycobacterium tuberculosis N-succinyl-L,L-diaminopimelic acid desuccinylase. Scientific Reports, 6, 23191.

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Characterization of Lapatinib Derivatives

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The general protocols employed in the synthetic procedures, structure elucidation of the new chemical structures, and purity of the newly synthesized lapatinib derivatives were performed as reported earlier, with some modifications [37 (link),38 (link),39 (link),40 (link)]. In brief, all acquired solvents and reagents were utilized without additional purification. Dimethyl sulfoxide (DMSO) was used as a solvent for NMR analysis. ¹H NMR spectra were acquired using Bruker 400 MHz spectrometer, with chemical shifts being determined in parts per million (ppm) and coupling constants in Hz. ¹³C NMR spectra were acquired using Varian 100 MHz spectrometer (Varian Medical Systems, Inc., Palo Alto, CA, USA). The G2 QTOF mass spectrometer (Waters Corporation, Milford, MA, USA) was employed to produce the mass spectra, high-resolution mass spectrometry (HRMS, ESI-MS). Reaction monitoring was performed using TLC on 0.25 mm silica plates (E. Merck; silica gel 60 F₂₅₄). To verify the purity of the target compounds, high-performance liquid chromatography (HPLC); System: Waters Corp. 2695 with PAD 996, λ = 281 nm; Column: Welch Xtimate C₁₈ 150 mm × 4.6 mm × 5 μm; Condition: mobile phase A: 0.05% TFA in water, mobile phase B: CH₃CN; Gradient: 90% of Mobile phase B in 30 min. The melting points (M.p.) were assessed with Thermo Scientific 9200 (Rise 10 °C per minute).

Elkamhawy A., Son S., Lee H.Y., El-Maghrabey M.H., Hamd M.A., Alshammari S.O., Abdelhameed A.A., Alshammari Q.A., Abdeen A., Ibrahim S.F., Mahdi W.A., Alshehri S., Alnajjar R., Choi W.J., Al-Karmalawy A.A, & Lee K. (2022). Design, Synthesis, Biological Evaluation, and Molecular Dynamics Studies of Novel Lapatinib Derivatives. Pharmaceuticals, 16(1), 43.

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Quantification of Nicotinamide Metabolites

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Nicotinamide and niacinamide nitrogen oxide were quantified using a Waters UPLC-QTOF/MS system, which is composed of ACQUITY UPLC and a Xevo G2 QTOF mass spectrometer. Chromatographic separation was performed using a BEH Amide column (1.7 μm, 2.1 × 100 mm) (Waters, Milford, MA). The phase A of the mobile phase is 20 mM ammonium acetate in water, and the phase B is acetonitrile in 0.1% formic acid. The flow rate was 0.2 ml/min. The gradient elution program was 5% phase B for 0–1 min, 5–10% phase B for 1–2 min, 10–50% phase B for 2–3.5 min, 50–95% phase B for 3.5–4 min, 95% phase B for 4–4.5 min, and 95–5% phase B for 4.5–5 min. The mass spectrometer was operated at the positive ion mode.

Li F., Wang Y., Song X., Wang Z., Jia J., Qing S., Huang L., Wang Y., Wang S., Ren Z., Zheng K, & Wang Y. (2022). The intestinal microbial metabolite nicotinamide n-oxide prevents herpes simplex encephalitis via activating mitophagy in microglia. Gut Microbes, 14(1), 2096989.

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