Triple quadrupole mass spectrometer tqd

Manufactured by Waters Corporation

Sourced in United States, United Kingdom

The Triple Quadrupole Mass Spectrometer (TQD) is an analytical instrument used for the detection and quantification of chemical compounds. It consists of three quadrupole mass analyzers arranged in series, providing high sensitivity and selectivity in the identification and measurement of target analytes.

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22 protocols using triple quadrupole mass spectrometer tqd

Quantification of plant metabolites using LC-MS

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Plant parts harvested was dried in oven at 37 °C. These samples were grinded to fine powder with the help of mortar and pestles. 500 mg of each sample was extracted with 10 ml absolute ethanol and kept on shaker for 48 hr, after which extract were filtered by Whatmann No. 1 filter paper and filter sterile through 0.25 micron filters. The LC-MS and LC-MS/MS were performed on a Waters TQD triple quadrupole mass spectrometer (USA). It was equipped with waters, H-Class Acquity UPLC system and electrospray ionization source. The UPLC column used was water BEH C-18 100 × 2.1 mm, 1.7 μm and dual mode (±) LC-ESI-MS experiments performed after injecting 1 μl samples by the autosampler. Similarly, LC-ESI-HRMS analysis was performed on Agilent 6500 Q-Tof Mass Spectrometer (USA). It was equipped with electrospray ionization (ESI) interface using the following operation parameters: capillary voltage 3.5 kV, nebuliser 40 psi, drying gas (nitrogen) flow rate 11.0 L/min, drying gas temperature 300 °C, fragmentor 150 V, skimmer voltage 65 V. Mass spectra were recorded across the range m/z 150–1000 Th. The accurate masses of selected metabolites were observed and compared with their exact mass (theoretical mass) values manually. Analyses were performed as per our previously established method. m/z values and retention time of different compounds identified are shown in Table 2.

Pandey A., Swarnkar V., Pandey T., Srivastava P., Kanojiya S., Mishra D.K, & Tripathi V. (2016). Transcriptome and Metabolite analysis reveal candidate genes of the cardiac glycoside biosynthetic pathway from Calotropis procera. Scientific Reports, 6, 34464.

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Targeted Bradykinin Quantification in Serum

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The peptide bradykinin with a sequence of RPPGFSPFR (MW=1060 g/mol) was spiked at different concentrations (1, 10, 100, 1000 nM) in serum. One set of spiked serum was left undepleted, while the other set was depleted by three sequential extractions using 400 μL of 2 mg/mL solution of the positively charged polymeric nanoassemblies. The serum samples were then digested with trypsin. Targeted detection of bradykinin by selected reaction monitoring (SRM) on a Waters TQD triple quadrupole mass spectrometer was employed on the digested serum samples. LC separation of the digest on a Supelco® Discovery C18 (150mm × 2.1mm, 5μm (Sigma-Aldrich)) reversed phase column was done with 0.1% formic acid in water as mobile phase A and 0.1% formic acid in ACN as mobile phase B under the following gradient: 0–5 min (5%B), 5–15 min (5–50%B), 15–20 min (50–95% B), 20–25 min (95% B), 25–25.1min (95–5% B), 25.1–30 min (5% B). The optimized SRM transition for the bradykinin peptide was determined to be the +2 charge for the precursor ion (m/z 530.8) and the y8 product ion (m/z 904.5). SRM for this transition was acquired from 8 to 15 minutes of the LC run with an optimized collision energy of 22 and cone voltage of 44 V. The resulting SRM chromatogram was analyzed and processed using the MassLynx software.

Serrano M.A., Gao J., Kelly K.A., Thayumanavan S, & Vachet R.W. (2018). Supramolecular Polymeric Assemblies for the Selective Depletion of Abundant Acidic Proteins in Serum. ACS applied materials & interfaces, 10(47), 40443-40451.

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Simultaneous Quantification of Five Drugs in Rat Plasma

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The concentration of bupropion, metroprolol, phenacetin, midazolam and tolbutamide in rat plasma were simultaneously determined by a sensitive and simple UPLC-MS/MS method (Ma et al. 2015 (link)). The probe drugs were analyzed by a UPLC-MS/MS with ACQUITY I-Class UPLC and a XEVO TQD triple quadrupole mass spectrometer that equipped with an electrospray ionization (ESI) interface (Waters Corp., Milford, MA). UPLC-MS/MS chromatogram (Figure 1), blank plasma spiked with midazolam, tolbutamide, metroprolol, bupropion, phenacetin and diazepam (IS). The LLOQ for each probe drug in plasma was 2 ng/mL. The RSD of the five probe drugs were less than 15%. The calibration plot of the probe drugs was in the range of 2–2000 ng/mL (r > 0.995).

Wang S., Dong Y., Su K., Zhang J., Wang L., Han A., Wen C., Wang X, & He Y. (2017). Effect of codeine on CYP450 isoform activity of rats. Pharmaceutical Biology, 55(1), 1223-1227.

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UPLC-MS/MS Quantification of Analyte

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Waters Acquity liquid chromatography system coupled with a Waters TQD triple quadrupole mass spectrometer was used. Mass spectrometric detection was carried out using an electrospray interface (ESI) operated in the negative ionization mode with multiple reaction monitoring (MRM) for both IRB and IS. Nitrogen was used as a desolvating gas at a flow rate of 500 L/h. The desolvating temperature was set at 400°C and the source temperature was set at 150°C. The collision gas (argon) flow was set at 0.1 mL/min. The capillary voltage was set at 3.2 kV. The MS analyzer parameters were as follows: LM1 and HM1 resolution 10.0 and 8.0; ion energy 1, 1 V; LM2 and HM2 resolution 15.0 and 10.0, respectively; ion energy 2, 0.1 V, dwell time, 0.146 seconds. The cone voltage and collision energy were optimized in case of each analyte so as to maximize the signal corresponding to the major transition observed in the MS/MS spectra, following the fragmentation of the [M+H]⁺ ions corresponding to the selected compounds. The Mass Lynx software (Version 4.1, SCN 805, Waters, Milford, MA, USA) was used to control the UPLC-MS/MS system as well as for data acquisition and processing.

Wani T.A, & Zargar S. (2015). New ultra-performance liquid chromatography-tandem mass spectrometry method for the determination of irbesartan in human plasma. Journal of Food and Drug Analysis, 23(3), 569-576.

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UPLC-MS/MS Quantification of Pharmaceuticals

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An Acquity UPLC system (Waters Corp., Milford, MA, USA) equipped with a XEVO TQD triple quadrupole mass spectrometer via an electro-spray ionization (ESI) source was used for separation and detection. The quantification was operated in the multiple reaction monitoring (MRM) mode with the transitions of m/z 180.0→109.9 for phenacetin, m/z 240.0→184.1 for bupropion, m/z 423.1→207.2 for losartan, m/z 268.1 → 115.8 for metroprolol, m/z 326.0→290.9 for midazolam and m/z 285.1→193.0 for diazepam (IS). Data acquisition and instrument control were performed by the Masslynx 4.1 software (Waters Corp., Milford, MA, USA).
Chromatographic separation was employed on an Acquity BEH C18 column (2.1 mm × 50 mm, 1.7 μm) with gradient elution. The mobile phase consisted of acetonitrile (A) and 0.1% formic acid (B) as follows: 0-0.3 min (28-28% A), 0.3-0.5 min (28-95% A), 0.5-1.2 min (95-95% A), 1.2-1.5 min (95-28% A), and 1.5-2.0 min (28-28% A) (21 ). In the whole process, the flow rate was 0.40 ml/min, and the overall run time was 2.0 min.

Wei Y.L., Du H.J., Lin Y.P., Wu M.L, & Xu R.A. (2018). Effects of salidroside on rat CYP enzymes by a cocktail of probe drugs. Iranian Journal of Basic Medical Sciences, 21(4), 422-426.

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Quantification of Targeted Peptides by MRM

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Targeted peptides were detected and quantified by multiple reaction monitoring (MRM) on a Waters TQD triple quadrupole mass spectrometer coupled with Waters ACQUITY UPLC system with a Sigma-Aldrich Supelco Discovery C18 reverse phase column (150 mm × 2.1 mm, 5 μm particle size). A gradient was used where % B (0.1% formic acid in acetonitrile) was increased from 5% to 31.5% over 35 min. The column was then flushed by increasing to 95% B over 5 min. The column was then cleaned at 95% B for another 10 min. Finally, the gradient was adjusted back to 5% B over 5 min. A flow rate of 0.2 mL/min was used throughout the run. The optimized MRM parameters are listed in the (ESM Table S1). The MRM data were analyzed by MassLynx software. Peak heights of the target peptides, as measured in MRM, were used to estimate the limit of detection (LOD) based on signal-to-noise (S/N) ratio of response. The LOD is taken as the analyte concentration corresponding to a S/N ratio that is 3 times the blank S/N ratio.

Zhao B., Gao J., Serrano M.A., Arcaro K.F., Thayumanavan S, & Vachet R.W. (2020). Polymeric Nanoassemblies for Enrichment and Detection of Peptides and Proteins in Human Breast Milk. Analytical and bioanalytical chemistry, 412(5), 1027-1035.

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Quantitative LC-MS Analysis Protocol

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Waters TQD triple
quadrupole mass spectrometer was used in the LC-MS studies. The source
voltage used was 5000 V, and 400 °C was used as the capillary
temperature. Positive ionization mode was selected to cover the mass
range of 90–2000. Mobile phase A consisted of 0.01 M ammonium
acetate (pH 2.5) and acetonitrile in a ratio of 70:30 (v/v), and mobile
phase B consisted of acetonitrile and water in a ratio of 70:30 (v/v).

Vemuri D.K., Akshinthala P., Konduru N., Kowtharapu L.P., Katari N.K., Jonnalagadda S.B, & Gundla R. (2022). Unique Quality by Design Approach for Developing HPLC and LC-MS Method for Estimation of Process and Degradation Impurities in Pibrentasvir, Antiviral Agent for Hepatitis C. ACS Omega, 7(51), 47650-47661.

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Identification of Bioactive Compounds in SF1 and SF3

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To identify the compounds responsible for the biological activities of SF1 and SF3, a mass spectrometry analysis was performed at the facilities of the Centro de Investigaciones Biomédicas del Sur (CIBIS, Xochitepec, Mexico). A 500 µg sample was diluted in trifluoracetic acid 0.05% to a final concentration of 50 µg/mL. Glycine, arginine, lysine, leucine, isoleucine, aspartate, and glutamate (Sigma) diluted to the same concentration were used as standards. All samples were analyzed in a triple quadrupole TQD mass spectrometer (Waters, Milford, MA, USA) coupled to an Acquity liquid chromatograph (Waters) through a combined electrospray-APCI Z-spray ion source. All samples were analyzed in positive and negative ion modes. Finally, amino acids were identified in the samples by mass spectra comparison with the standards.

Trejo-Moreno C., Méndez-Martínez M., Zamilpa A., Jiménez-Ferrer E., Perez-Garcia M.D., Medina-Campos O.N., Pedraza-Chaverri J., Santana M.A., Esquivel-Guadarrama F.R., Castillo A., Cervantes-Torres J., Fragoso G, & Rosas-Salgado G. (2018). Cucumis sativus Aqueous Fraction Inhibits Angiotensin II-Induced Inflammation and Oxidative Stress In Vitro. Nutrients, 10(3), 276.

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Quantification of Imidazole Alkaloids by UPLC-TQD-MS

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The
UPLC system was coupled to a triple quadrupole (TQD) mass spectrometer
(Waters, Milford, MA) equipped with an electrospray ionization (ESI)
source operated in positive ionization mode. The quantification of
the molecular ions (imidazole alkaloids) and the protonated adducts
(for all other compounds) was performed by using the multiple-reaction
monitoring (MRM) mode to increase sensitivity and selectivity. A quantifier
and a qualifier were determined for every compound using direct infusion
in the combined mode. The optimal conditions were as follows: capillary
voltage 3.5 kV, extractor voltage 3 V, source temperature 140 °C,
desolvation temperature 500 °C, RF lens 0.1 V, desolvation gas
flow 900 L/h, and cone gas flow 20 L/h. The quadrupole was set to
the maximum resolution. All data were recorded and processed using
the Quanlynx package in Masslynx software, version 4.1 (Waters, Milford,
MA).

Le N.T., Foubert K., Theunis M., Naessens T., Bozdag M., Van Der Veken P., Pieters L, & Tuenter E. (2024). UPLC-TQD-MS/MS Method Validation for Quality Control of Alkaloid Content in Lepidium meyenii (Maca)-Containing Food and Dietary Supplements. ACS Omega, 9(14), 15971-15981.

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UPLC-MS/MS Analysis of Rhamnolipids

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UPLC separation of RLs was carried out on a Waters ACQUITY® TQD UPLC system using a ZORBAX Eclipse Plus C 18 UPLC column (21 × 100 mm, 1.8 μm) connected to an inline filter. A binary gradient using HPLC grade H 2 O containing 4 mM ammonium acetate as mobile phase A and acetonitrile as mobile phase B was used. The initial conditions were 50 % A:50 % B held for 0.2 min then a linear gradient to 70 % B by 2.0 min followed by change to 90 % B by 2.2 min and held for 0.8 min with a total run time of 3 min. An injection volume of 5 μL and a flow rate of 0.5/min was used throughout. The Waters ACQUITY® UPLC system was connected to a triple quadrupole (TQD) mass spectrometer (Waters Corporation, Milford, MA) . Tandem mass spectrometry was carried in negative ESI mode using multiple reaction monitoring following optimisation of MRMs using the IntelliStart software (Waters Crop.). The data was acquired using the MassLynx software 4.1.

Rudden M., Tsauosi K., Marchant R., Banat I.M, & Smyth T.J. (2015). Development and validation of an ultra-performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method for the quantitative determination of rhamnolipid congeners. Applied microbiology and biotechnology, 99(21).

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