Agilent 6545 qtof ms

Manufactured by Agilent Technologies

Sourced in United States

The Agilent 6545 QTOF MS is a high-resolution quadrupole time-of-flight mass spectrometer. It is designed to provide accurate mass measurements and detailed structural information on a wide range of analytes.

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Lab products found in correlation

Agilent 1290 infinity uhplc system, by Agilent Technologies (2 mentions) Agilent infinity 1290 uhplc system qtof, by Agilent Technologies (1 mentions) Agilent 6520 q tof ms, by Agilent Technologies (1 mentions) Xbridge beh amide column, by Waters Corporation (1 mentions) Agilent 1260 infinity lc system, by Agilent Technologies (1 mentions) Dual jet stream, by Agilent Technologies (1 mentions) Hexakis 2 2 3 3 tetrafluoropropoxy phosphazene, by Apollo Scientific (1 mentions)

4 protocols using agilent 6545 qtof ms

Untargeted Metabolomic Profiling of Chicory Extracts

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The metabolite profile of all ten purified C. intybus extracts was analysed by an untargeted metabolomic platform as described in Valente et al. (2021) (link). Briefly, purified C. intybus extracts (10 mg dry extract/mL in methanol) were analysed in an ultra-high performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) platform (Agilent Infinity 1290 UHPLC system QTOF, coupled with an Agilent 6545 QTOF MS; Agilent Technologies, Santa Clara, CA, USA). Resulting LC-MS/MS chromatograms from every purified C. intybus extract were converted to mzXML files and pre-processed using MZmine. For each extract, a table containing all extracted MS features (.csv file) associated with their MS fragmentation spectra (.mgf file) was obtained, and all data was submitted for compound identification and bioactivity-based molecular networking analyses in the Global Natural Products Social (GNPS)'s spectral libraries and Molecular Networking Platform (https://gnps.ucsd.edu/; Wang et al., 2016 (link)).

Peña-Espinoza M., Romero-Uzqueda Y., Valente A.H., de Roode M., Simonsen H.T., Thamsborg S.M., Williams A.R, & López-Muñoz R. (2022). Anti-protozoal activity and metabolomic analyses of Cichorium intybus L. against Trypanosoma cruzi. International Journal for Parasitology: Drugs and Drug Resistance, 20, 43-53.

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HPLC-ESI-MS Analysis of Complex Compounds

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The HPLC-ESI-MS measurements were carried out using an Agilent 6545 Q-TOF-MS coupled to an Agilent 1290 Infinity LC pump, and an Agilent 6520 Q-TOF-MS coupled to an Agilent 1260 Infinity LC system (Agilent Technologies, Santa Clara, CA). The separation was performed using a Waters XBridge BEH Amide column (15 cm × 2.1 mm, 2.5 μm). The mobile phase consisted of (A) H₂O/ACN (95:5, v/v) with 5 mM ammonium acetate and 0.1% acetic acid, and (B) H₂O/ACN (5:95, v/v), 5 mM ammonium acetate, and 0.1% acetic acid. Gradient elution was performed as follows: 100% mobile phase B for 1.5 min, 100–78% B from 1.5 to 6.0 min, 78–50% B from 6.0 to 9.0 min, 50% B from 9.0 to 15.0 min, restoration to 100% B from 15.0 to 17.0 min, and continued 100% B from 17.0 to 30.0 to equilibrate the LC column (see Figure 1). The flow rate was 0.3 mL/min, the injection volume was 5 μL, followed by an H₂O/ACN (5:95, v/v) needle wash for 10 s, and the column temperature was 35 °C. The ESI conditions were as follows: electrospray ion-source ESI Agilent Jet Stream Technology in positive ionization mode; voltage 3.8 kV; desolvation temperature 325 °C; cone flow 20 L/h; desolvation gas flow 600 L/h; nebulizer pressure 45 psi, N₂ drying gas; MS scan rate of 1.03 spectra/s across the range m/z 60–1000. Data were acquired using MassHunter Data Acquisition Workstation v. B.06.01.6157 software (Agilent Technologies).

Zhang X., Dong J, & Raftery D. (2020). Five Easy Metrics of Data Quality for LC–MS-Based Global Metabolomics. Analytical chemistry, 92(19), 12925-12933.

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UHPLC-QTOF-MS Protocol for Compound Analysis

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UHPLC‐QTOF‐MS was performed on an Agilent Infinity 1290 UHPLC system (Agilent Technologies) coupled with Agilent 6545 QTOF MS with Dual Jet Stream ESI source. Samples were separated on an ACQUITY UPLC HSS T3 column (100 Å, 1.8 μm, 2.1 × 150 mm). The flow rate was 0.4 ml/min and the column temperature was 55°C. Solvent A consists of acetonitrile/H₂O (60:40, v/v) and solvent B was isopropanol/acetonitrile (90:10, v/v), both supplied with 10 mM ammonium acetate. Linear gradient started from 40% solvent B and increased to 100% B in 10 min, and held at 100% B for 2 min, then reconditioned to 40% B in 2.5 min. Total analysis time was 15 min. The autosampler temperature was 8°C. Injection volume was 2 μl in positive ionization (ESI+) mode and 5 μl in negative ionization (ESI−) mode. Mass range was 100–1700 Da for MS scan and 30–1700 Da for MS/MS scan. Data were recorded in positive and negative ionization mode with an acquisition rate of 10 spectra/s in centroid profiles. Fragmentations were recorded with fixed collision energies of 10, 20 and 40 eV with maximum three precursors per cycle. Lock mass solution 1 μM tributylamine and 10 μM hexakis (2,2,3,3‐tetrafluoropropoxy)phosphazene with m/z 186.2216 and 922.0098 [M + H]⁺ in ESI+ mode and m/z 966.0012 [M + COOH]⁻ in ESI‐ mode.

Lu Y., Eiriksson F.F., Thorsteinsdóttir M, & Simonsen H.T. (2022). Lipidomic analysis of moss species Bryum pseudotriquetrum and Physcomitrium patens under cold stress. Plant-Environment Interactions, 3(6), 254-263.

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UHPLC-DAD-QTOFMS Analysis of Phloroglucinol

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Instrumentation. Ultra-high performance liquid chromatography-DAD-quadrupole time of flight mass spectrometry (UHPLC-DAD-QTOFMS) was performed on an Agilent Infinity 1290 UHPLC system (Agilent Technologies, Santa Clara, CA, USA) equipped with a DAD coupled to an Agilent 6545 QTOF MS equipped with Agilent Dual Jet Stream electrospray ion source (Kildgaard et al., 2014) . MS and MS/MS were performed at m/z 100-1600 and auto-MS/MS was done at 10, 20, and 40 eV. Hexakis (2,2,3,3-tetrafluoropropoxy)phosphazene (Apollo Scientific Ltd., Cheshire, UK) at 921.23 was used as lock mass in positive and negative mode as the [M+H] + and [M+HCOO] -ions respectively.
Chromatographic separation. Separation was obtained similar to the method used for HPLC-DAD-ECD analysis with some alterations. The gradient elution analysis program was as follows: 0-2 min, 0% (B); 2-16 min, increasing to 40% (B); 16-18 min, increasing to 100% (B), with 17 min of posttime at a flow rate of 0.3 mL/min. All compounds had eluted within the first 17 min and therefore the chromatograms are of this duration. The column temperature was set at 25°C, the injection volume was 2 µL. For instrument validation, phloroglucinol standard (0.1 mg/mL for LC) and the associated retention time were used as a control.

Hermund D.B., Plaza M., Turner C., Jónsdóttir R., Kristinsson H.G., Jacobsen C, & Nielsen K.F. (2018). Structure dependent antioxidant capacity of phlorotannins from Icelandic Fucus vesiculosus by UHPLC-DAD-ECD-QTOFMS. Food chemistry, 240.

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