Tqd mass spectrometer

Manufactured by Waters Corporation

Sourced in United States, United Kingdom

The TQD mass spectrometer is a high-performance analytical instrument designed for sensitive and precise mass analysis. It utilizes triple quadrupole technology to provide accurate quantification and identification of compounds in complex samples. The core function of the TQD is to separate, detect, and measure the mass-to-charge ratios of ionized molecules, enabling the analysis of a wide range of organic and inorganic substances.

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Xevo TQD mass spectrometer (37 citations) XEVO TQD triple quadruple mass spectrometer (8 citations) Acquity TQD mass spectrometer (4 citations) UPLC-TQD mass spectrometer (3 citations) Acquity UPLC-tqd mass spectrometer (3 citations) TQD TM (2 citations) XEVO TQD triple quadrupoles mass spectrometer (2 citations) XEVO TQD triple quadrupole tandem mass spectrometer (2 citations) TQD quadrupole mass-spectrometer (2 citations) Xevo TQD triple quadrupole mass spectrometer detector (2 citations)

32 protocols using tqd mass spectrometer

UPLC-MS/MS Analysis of Metabolites

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The UPLC-MS/MS
system consisted of
a Waters ACQUITY UPLC (Waters Corporation, Milford, MA) coupled to
a Waters TQD mass spectrometer (electrospray ionization mode ESI-tandem
quadrupole). Chromatographic separations were carried out using the
ACQUITY UPLC BEH (bridged ethylene hybrid) C18 column; 2.1 ×
100 mm, and 1.7 μm particle size, equipped with an ACQUITY UPLC
BEH C18 VanGuard pre-column; 2.1 × 5 mm, and 1.7 μm particle
size. The column was maintained at 40 °C, and eluted under gradient
conditions using 95 to 0% of eluent A over 5 min, afterward isocratic
elution using 100% of eluent B over 5 min, at a flow rate of 0.3 mL/min.
Eluent A: water/formic acid (0.1%, v/v); eluent B: acetonitrile/formic
acid (0.1%, v/v). Chromatograms were recorded using a Waters eλ
PDA detector. Spectra were analyzed in the 200–700 nm range
with 1.2 nm resolution and a sampling rate of 20 points/s. MS detection
settings of Waters TQD mass spectrometer were as follows: source temperature
of 150 °C, desolvation temperature of 350 °C, desolvation
gas flow rate of 600 L/h, cone gas flow of 100 L/h, capillary potential
of 3.00 kV, and cone potential of 30 V. Nitrogen was used as both
nebulizing and drying gas. The data were obtained in a scan mode ranging
from 50 to 1000 m/z at 0.5 s intervals. Data acquisition software
was MassLynx V 4.1 (Waters).

Stolarek M., Pycior A., Bonarek P., Opydo M., Kolaczkowska E., Kamiński K., Mogielnicki A, & Szczubiałka K. (2023). Biological Properties of Heparins Modified with an Arylazopyrazole-Based Photoswitch. Journal of Medicinal Chemistry, 66(3), 1778-1789.

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Extraction and Characterization of Lignan-Rich Fraction from S. williamsii

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The dried ramulus of S. williamsii (150 kg) was chopped into small pieces and then hot refluxed with 60% aqueous ethanol (1200 L) twice, each time for 2 h. The extract was filtered and combined, and then concentrated to 150 L in a rotary evaporator under negative pressure. Finally, the extract was subjected to an HP-20 macroporous adsorptive resin column to give a lignan-rich fraction SWCA (50% aqueous ethanol eluate). SWCA is a purified fraction from SWC, and the origin of SWC was described in our previous study [14 (link)]. The yield of SWCA was 0.26% (w/w).
According to our previous study [20 (link)], the quality of SWCA was characterized by its four major components (M1 to M4) using an ACQUITY ultra-performance liquid chromatography (UPLC) H-Class system coupled to a Xevo TQD mass spectrometer (Waters Corp. Milford, CT, USA). The contents of the four markers in SWCA were determined to be 41.2, 27.2, 8.6 and 6.3 mg/g, respectively. The chromatographic conditions were consistent with those described in our previous study [21 (link)]. SWCA is a mixture of lignans, and more than thirty lignans were identified from it in our previous studies [15 (link),20 (link)]. However, due to the limited amount of some of them and the bioactivities, M1 to M4 were selected and purified to be the markers.

Xiao H.H., Zhu Y.X., Lu L., Zhou L.P., Poon C.C., Chan C.O., Wang L.J., Cao S., Yu W.X., Wong K.Y., Mok D.K, & Wong M.S. (2022). The Lignan-Rich Fraction from Sambucus williamsii Hance Exerts Bone Protective Effects via Altering Circulating Serotonin and Gut Microbiota in Rats. Nutrients, 14(22), 4718.

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Noscapine Quantification by UPLC-MS/MS

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An ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method to quantify noscapine was modified from previously published reports.^{17 (link), 18 (link)} Briefly, analysis was performed using a Waters Acquity UPLC system equipped with a C18 ethylene bridged hybrid column (150 × 2.1 mm, 1.7 μm; Waters Co., Bedford, MA, USA) in line with a Waters TQD mass spectrometer (Bedford, MA, USA). Mobile phase A was aqueous 0.1% formic acid (v/v) and mobile phase B was acetonitrile with 0.1% formic acid (v/v). Sample injection volume was 5 μL. The mass spectrometer was set to selected reaction monitoring mode with the following mass transitions used to quantitate the analytes in positive ionization mode: m/z 414.2 → 220 (noscapine) and m/z 289 → 165 (morphine-D₃). Detection and quantitation limits were estimated by calculating 3× and 10× the standard deviation of the analyte response over 5 days for detection (LOD) and quantitation limits (LOQ), respectively. Data processing was conducted using MassLynx workstation software version 4.1 (Waters Co., Bedford, MA, USA) with results exported as Excel worksheets (Microsoft Office, Microsoft Co., Redmond, WA, USA).

Shetge S.A, & Redan B.W. (2022). Assessment of Dry Heating, Water Rinsing, and Baking on Concentrations of the Opium Alkaloid Noscapine in Poppy Seeds. ACS food science & technology, 2(3), 541-547.

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Comprehensive Spectroscopic Analysis of Small Molecules

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¹H-, ¹³C-, and ³¹P-NMR spectra were recorded on Bruker DPX or Bruker AV NMR spectrometers operating at 400, 101, and 162 MHz, respectively. Small molecules were analyzed using a Waters TQD mass spectrometer equipped with a triple quadrupole analyzer. Samples were introduced to the mass spectrometer via an Acquity UltraPerformance Convergence Chromatography (UPC²) system, including a UPC² Waters HSS C18 SB column (100 mm × 3.0 mm × 1.8 μm) gradient 90% CO₂:10% methanol modifier (25 mM ammonium acetate) to 60% CO₂:40% methanol modifier (25 mM ammonium acetate) in 3 min at a flow rate of 1.5 mL/min. The makeup flow (methanol/1% formic acid) was pumped at a flow rate of 0.45 mL/min into the mass spectrometer. Mass spectra were recorded using positive ion electrospray ionization.

Pendergraff H.M., Krishnamurthy P.M., Debacker A.J., Moazami M.P., Sharma V.K., Niitsoo L., Yu Y., Tan Y.N., Haitchi H.M, & Watts J.K. (2017). Locked Nucleic Acid Gapmers and Conjugates Potently Silence ADAM33, an Asthma-Associated Metalloprotease with Nuclear-Localized mRNA. Molecular Therapy. Nucleic Acids, 8, 158-168.

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Vitamin D Levels in Pregnancy

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Five mls of venous blood was collected from each pregnant woman at 32 weeks gestation, and one ml of venous blood was collected from each infant at 6 months of age. Serum samples were frozen at −20°C and transported to the Alfred Hospital, Melbourne, and analysis for vitamin D was performed on those with a sufficient volume of blood. Solid Phase Extraction (SPE) using Waters Oasis uElution SPE plates was used as a pre-treatment step to release 25-OHD binding protein. Extracted patient samples were then analysed using a WatersACQUITY UPLC with an ACQUITY BEH Phenyl column (2.1×50 mm) with a water/methanol/ammonium acetate gradient. A Waters TQD mass spectrometer was used to quantify 25-OHD2 and 25-OHD3. The coefficient of variation for 25-OHD3 was 9.9% at 42 nmol/L and 9.6% at 96 nmol/L. The coefficient of variation for 25-OHD2 was 12% at 42 nmol/L and 8.8% at 94 nmol/L. Vitamin D levels were categorized as replete (≥75 nmol/L), insufficient (≥37.5 nmol/and<75 nmol/L) or deficient (<37.5 nmol/L) [12] (link). (1 nmol/L 25-OHD = 0.4 ng/ml 25-OHD).

Hanieh S., Ha T.T., Simpson J.A., Thuy T.T., Khuong N.C., Thoang D.D., Tran T.D., Tuan T., Fisher J, & Biggs B.A. (2014). Maternal Vitamin D Status and Infant Outcomes in Rural Vietnam: A Prospective Cohort Study. PLoS ONE, 9(6), e99005.

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Quantification of Metabolites by Mass Spectrometry

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Amino acids, acylcamitines and organic acids were analyzed using stable isotope dilution technique. Amino acids and acylcarnitine measurements were made by flow injection tandem mass spectrometry using sample preparation methods described previously.^{61 (link)–62 (link)} The data were acquired using a Waters TQD mass spectrometer equipped with AcquityTM UPLC system and controlled by MassLynx 4.1 operating system (Waters, Milford, MA). Organic acids were quantified using methods described previously employing Trace Ultra GC coupled to ISQ MS operating under Xcalibur 2.2 (Thermo Fisher Scientific, Austin, TX).^{63 (link)}

Ali H.R., Assiri M.A., Harris P.S., Michel C.R., Yun Y., Marentette J.O., Huynh F.K., Orlicky D.J., Shearn C.T., Saba L.M., Reisdorph R., Reisdorph N., Hirschey M.D, & Fritz K.S. (2019). Quantifying Competition Among Mitochondrial Protein Acylation Events Induced by Ethanol Metabolism. Journal of proteome research, 18(4), 1513-1531.

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Characterization of Organic Compounds

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Nuclear magnetic resonance spectra were recorded on a Mercury 400 MHz (Varian Inc.) or 500 MHz (Bruker). The mass spectra were recorded on a TQD mass spectrometer (Waters Corp.) using the electrospray ionization technique. Elemental analysis was conducted on Vario-Micro cube elemental analyzer (Elementar). Water content was determined using Karl-fisher titration method. The purity (>95%) of all of the compounds was established using the high-pressure liquid chromatography method with 5 μm particle size C18 columns (Bonna Agela Technologies for 2 and YMC Technologies for the remaining compounds) maintaining solution at 10 °C.

Papp-Wallace K.M., Nguyen N.Q., Jacobs M.R., Bethel C.R., Barnes M.D., Kumar V., Bajaksouzian S., Rudin S.D., Rather P.N., Bhavsar S., Ravikumar T., Deshpande P.K., Patil V., Yeole R., Bhagwat S.S., Patel M.V., van den Akker F, & Bonomo R.A. (2018). Strategic Approaches to Overcome Resistance against Gram-Negative Pathogens Using β-Lactamase Inhibitors and β-Lactam Enhancers: Activity of Three Novel Diazabicyclooctanes WCK 5153, Zidebactam (WCK 5107), and WCK 4234. Journal of medicinal chemistry, 61(9), 4067-4086.

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Plasma acylcarnitine profiling in mice

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Whole blood was collected from K15 F/F and K15-BKO mice, spun down at 2000rpm for 20 min, and plasma was collected. Plasma acylcarnitine species were analyzed by tandem mass spectrometry using sample preparation methods described previously (An et al., 2004 (link); Ferrara et al., 2008 (link)). The data were acquired using a Waters TQD mass spectrometer equipped with Acquity UPLC system and controlled by MassLynx 4.1 operating system (Waters, Milford, MA).

Fan L., Lesser A.F., Sweet D.R., Keerthy K.S., Lu Y., Chan E.R., Vinayachandran V., Ilkayeva O., Das T., Newgard C.B, & Jain M.K. (2022). KLF15 controls brown adipose tissue transcriptional flexibility and metabolism in response to various energetic demands. iScience, 25(11), 105292.

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UPLC-MS/MS for Environmental Analysis

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A Waters ACQUITY^® UPLC^® from Waters Corporation (Milford, MA, USA) combined with a Waters TQD mass spectrometer were used to perform UPLC–MS/MS analysis. An Acquity UPLC BEH (bridged ethyl hybrid) C₁₈ column equipped with an Acquity UPLC BEH C₁₈ VanGuard pre-column were used to perform chromatographic separations. The column was maintained under the required conditions. A Waters eλ PDA detector was used to obtain chromatograms. The detailed UPLC–MS/MS analysis was carried out strictly in accordance with the methodology presented by Dąbrowska et al. (2018 (link)).

Muszyńska B., Żmudzki P., Lazur J., Kała K., Sułkowska-Ziaja K, & Opoka W. (2018). Analysis of the biodegradation of synthetic testosterone and 17α-ethynylestradiol using the edible mushroom Lentinula edodes. 3 Biotech, 8(10), 424.

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Acyl-carnitine Quantification by MS/MS

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Acyl-carnitine measurements were made by flow-injection MS/MS using sample preparation methods described previously^{27 (link),28 (link)}. Data was acquired using a Waters TQD mass spectrometer equipped with an AcquityTM UPLC system and controlled by MassLynx 4.1 operating system (Waters).

Levine D.C., Kuo H.Y., Hong H.K., Cedernaes J., Hepler C., Wright A.G., Sommars M.A., Kobayashi Y., Marcheva B., Gao P., Ilkayeva O.R., Omura C., Ramsey K.M., Newgard C.B., Barish G.D., Peek C.B., Chandel N.S., Mrksich M, & Bass J. (2021). NADH inhibition of SIRT1 links energy state to transcription during time-restricted feeding. Nature Metabolism, 3(12), 1621-1632.

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