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Xevo tqd triple quadrupole

Manufactured by Waters Corporation
Sourced in United States

The Xevo TQD Triple Quadrupole is a laboratory instrument designed for quantitative and qualitative analysis of small molecules. It features a triple quadrupole mass spectrometer configuration, enabling high-sensitivity detection and precise compound identification.

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6 protocols using xevo tqd triple quadrupole

1

UHPLC-MS/MS Quantification of Plasma Analytes

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The chromatographic column used was Waters Acquity BEH C18 (50 mm × 2.1 mm, 1.7 μm), mobile phase A was 0.1% formic acid water, and mobile phase B was 0.1% formic acid acetonitrile. Gradient elution was performed as follows: 0–1.5 min, 10–15% mobile phase B; 1.5–3.5 min, 15–30% mobile phase B; 3.5–4.5 min, 30–40% mobile phase B; 4.5–6 min, 40–70% mobile phase B; 6–7 min, 70–10% mobile phase B; 7-8 min, 10% mobile phase B. The flow rate was 0.3 mL·min−1, the oven temperature was 35°C, and the injection volume was 2 μl.
Mass spectrometry was conducted using the Waters Xevo TQD Triple Quadrupole equipped with an electrospray ionization source in the positive ion mode, 2 kV capillary voltage, 30 V cone voltage, ion source temperature of 250°C, desolvation gas temperature of 400°C, desolvation gas flow rate of 800 L/h, and cone gas flow of 50 L/h. Data were collected and analyzed using MassHunter Version 4.0 and DAS 2.0 software. The plasma samples were analyzed and quantified by multiple reaction monitoring (MRM), and the MRM parameters of each component are shown in Table 1.
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2

UPLC-MS/MS Quantification of Celecoxib

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The concentration of celecoxib was measured by UPLC-MS/MS. The UPLC system comprised a binary solvent manager (BSM) and a sample manager with flow-through needle (SM-FTN) using UPLC®BEH C18 column (2.1 × 50 mm, 1.7 μm; Waters, USA). Mass spectrometer comprised Waters XEVO TQD triple-quadrupole (Waters Corp.) with an electrospray ionization source. Data acquisition and control of the instrument were performed by Masslynx 4.1 software (Waters Corp., Milford, MA, USA). The method selected 0.1% formic acid (a) and ACN (b) as the mobile phase. The proportion of the mobile phase was 40% (a) : 60% (b) during 0–0.5 min. b was linearly increased to 95% at 1.5 min, and b was decreased to 60% again at 2.0 min. The flow rate was 0.4 ml/min. The total run time was 2.5 min. Celecoxib and IS were analyzed using the MRM method. The mode of MRM was the positive ion mode. In the MRM method, cone voltages were set at 60 V for celecoxib and 40 V for IS. The collision voltage of celecoxib and IS was set at 40 V and 20 V, respectively. Ion mass spectrometric analysis of celecoxib and IS was m/z 381.7–362.2 and 237.1–194.2, respectively.
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3

UPLC-MS/MS Quantification of 5-FU

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Chromatographic analysis was performed using a Waters Acquity® UPLC bridged ethylene hybrid AMIDA column of 1.7 μm (2.1 × 100 mm) (Waters, Milford, MA, USA). The mobile phases were 0.2% formic acid in water and 0.1% formic acid in acetonitrile–methanol. The flow rate was 0.2 mL/min under gradient elution conditions. The run time was approximately 5.0 min. The mass selective detector in electrospray ionization (ESI) operated in positive mode for analytes and in negative mode for 5-fluorouracil (5-FU; Figure 1D) as an internal standard (IS). Mass spectrometric detection was performed on a Waters Xevo TQD Triple Quadrupole (Waters, Milford, MA, USA). Multiple reaction monitoring was employed with wide mass resolutions for MS1 and wider mass resolutions for MS2. High-purity nitrogen was used as a source and collision gas. The MS was operated for both and multiple reaction monitoring mode.
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4

Quantitative LC-MS/MS Analysis of Tamoxifen Metabolites

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LC-MS/MS system using Waters Xevo TQD Triple Quadrupole with MassLynx Software controller (Waters, Milford, USA). Reversed-phase Chromatographic analysis using Acquity UPLC C18 BEH column (2.1 × 100 mm; 1.7 μm). Mobile phase A consisted of 0.1% water and mobile phase B 0.1% formic acid in acetonitrile. Elution system using gradient at a flow rate of 0.2 ml/min with total analysis time was 5 min. The initial composition of eluent was A: B (5:95), which was hold for 3 min. The ratio was changed to 70:30 and held for 2 min.
Mass detection performed in Triple Quadrupole (TQD) mass analyzer in Multiple Reaction Monitoring (MRM) analysis modes with an electrospray ionization source positive mode.
The mass parameter setting was as follows: The capillary voltage +3500 V; Source gas using Nitrogen, temperature 450 °C, and the flow rate at 700 L/h. Argon was used as the collision gas. Collision energies were 27, 30, 27, 24, and 20 eV for TAM, END, 4-HT, NDT, and IS, respectively. Transition from the precursor into a product was set at m/z 372.28 > 72.22 for TAM; 374.29 > 58.22 for END; 388.29 > 72.19 for 4-HT; [bm1] 358.22 > 58.09 for NDT; and 260.20 > 116.20 for propranolol.
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5

Structural Identification of Compound 1

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Structural identification of compound 1 was achieved using mass spectroscopy, 1D and 2D NMR. NMR spectra were recorded on a Bruker High Performance Digital FT-NMR-Spectrophotometer Avance III HD (1H-NMR: 400 MHz, 13C-NMR: 100 MHz, Bremen, Germany). NMR spectra were recorded in CD3OD using TMS as an internal standard. The solvent used was 500 μl, and the number of scans (NS) was 200 automatically locked based on the CD3OD signal at 3.30 ppm. Chemical shift values were recorded in δ ppm.
Mass spectrum was obtained using an XEVO TQD triple quadrupole(Waters Corporation, Milford, MA01757 USA) mass spectrometer. Source temperature 150 °C, cone voltage 30 eV, capillary voltage 3 kV, desolvation temperature 440 °C, cone gas flow 50 L/h, and desolvation gas flow 900 L/h. Mass spectra were detected in the ESI between m/z 100 and 1000. The peaks and spectra were processed using the Maslynx 4.1 software and tentatively identified by comparing their retention times (Rt) and mass spectra with reported data.
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6

Analysis of Standard A by UPLC-MS/MS

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Mass spectrometer Waters Xevo TQD triple quadrupole equipped with electrospray ionization source coupled to Aquity UPLC system, Masslynx 4.1 software was used for analysis. Ten microliters of elute was injected using acetonitrile and deionized water in the ratio 1:1 as a mobile phase. The gradient flow was adjusted as follows: 0.27 ml/min for 7.5 s, 0.02 ml/min for 37.5 s, 0.6 ml/min for 6 s, and 0.27 ml/min for 9 s. The ion source was operated in positive mode. Multiple reaction monitoring mode was used with mass transition 165.98 > 120.22, cone and collision energy were set at 18 and 12 V, respectively. The mass transition is shown in Fig. 1, while Fig. 2 shows a chromatogram of the standard A.
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