Mercury 500

Manufactured by Agilent Technologies

Sourced in United States

The Mercury-500 is an analytical instrument manufactured by Agilent Technologies. It is designed to perform high-resolution nuclear magnetic resonance (NMR) spectroscopy. The instrument features a 500 MHz superconducting magnet and provides precise and sensitive measurements of molecular structures and compositions.

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Lab products found in correlation

Apex 2 mass spectrometer, by Bruker (4 mentions) Spherical c18 column, by Waters Corporation (4 mentions) Uv 240 spectrophotometer, by Jasco (4 mentions) Dip 370 polarimeter, by Jasco (4 mentions) Spherical c18 100a reversed phase silica gel rp 18, by Silicycle (4 mentions) Unity plus 400, by Agilent Technologies (3 mentions) 2000 ft ir spectrophotometer, by PerkinElmer (3 mentions) Silica gel 60, by Merck Group (3 mentions) Mercury 300, by Agilent Technologies (2 mentions) Precoated silica gel 60 f254 plates, by Merck Group (2 mentions) F254 precoated plates, by Merck Group (1 mentions) Ftir spectrophotometer, by PerkinElmer (1 mentions) Rp 18, by Merck Group (1 mentions) Pack ods column, by YMC (1 mentions) Spd 6a uv spectrophotometric detector, by Shimadzu (1 mentions) Silica gel, by Qingdao Marine Chemical (1 mentions) Gf254, by Qingdao Marine Chemical (1 mentions) P 2000 polarimeter, by Jasco (1 mentions) V 650 spectrophotometer, by Jasco (1 mentions) Vnmrs 700, by Agilent Technologies (1 mentions)

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Mercury 500 MHz (2 citations) Mercury (500 MHz) spectrometer (2 citations)

11 protocols using mercury 500

Analytical Techniques for Chemical Characterization

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For the TLC, we used silica gel 60 F₂₅₄ precoated plates (Merck); for column chromatography (CC), silica gel 60 (70–230 or 230–400 mesh, Merck) and Spherical C18 100A Reversed Phase Silica Gel (RP-18) (particle size: 20–40 μm) (Silicycle). For the HPLC, we used a spherical C18 column (250 × 10 mm, 5μm) (Waters) and LDC-Analytical-III apparatus. For the UV spectra, we used a Jasco UV-240 spectrophotometer, λ_max (log ε) in nm. For the optical rotation, we used a Jasco DIP-370 polarimeter, in CHCl₃. For the IR spectra, we used a Perkin-Elmer-2000 FT-IR spectrophotometer; ν in cm⁻¹. For the ¹H-, ¹³C- and 2D-NMR spectra, we used Varian-Mercury-500 and Varian-Unity-Plus-400 spectrometers; δ in ppm rel. to Me₄Si, J in Hz. For the ESI and HRESIMS, we used a Bruker APEX-II mass spectrometer, in m/z.

Wu M.D, & Cheng M.J. (2022). Undescribed Metabolites from an Actinobacteria Acrocarpospora punica and Their Anti-Inflammatory Activity. Molecules, 27(22), 7982.

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Spectroscopic Characterization of Compounds

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The optical rotations were measured using a Jasco P2000 polarimeter, UV spectra were determined using a Jasco V650 spectrophotometer (JASCO, Corporation, Tokyo, Japan). IR spectra were carried out on a Nicolet 5700 spectrophotometer with KBr disks (Thermo Electron Scientific Instruments Corp.). ¹H NMR (500 MHz), ¹³C NMR (125 MHz), HSQC and HMBC spectra were run on a Mercury-500 with TMS as an internal standard (Varian, Palo Alto, CA, USA). HR-ESI-MS was performed on a 6520 Accurate-Mass Q-TOF LC/MS mass spectrometer. Sephadex LH-20 (Pharmacia, Uppsala, Sweden), silica gel (Qingdao Marine Chemical Factory, 200–300 mesh), and RP-18 (Merck, 40—60 μm) were used for CC and silica gel GF-254 (Qingdao Marine Chemical Factory, Qingdao, China) was used for TLC. The HPLC experiments were performed on a preparative YMC-Pack ODS-column (250 mm×20 mm, 10 μm, YMC, Kyoto, Japan) equipped with a Shimadzu SPD-6A UV spectrophotometric detector and an SPD-6AD pumping system (Shimadzu, Japan).

Wang X., Liu Q., Zhu H., Wang H., Kang J., Shen Z, & Chen R. (2017). Flavanols from the Camellia sinensis var. assamica and their hypoglycemic and hypolipidemic activities. Acta Pharmaceutica Sinica. B, 7(3), 342-346.

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Characterization of Organic Compounds by NMR and MS

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All chemicals were purchased from commercial suppliers and were used as received unless otherwise stated. Proton Nuclear Magnetic Resonance NMR (¹H NMR) spectra and carbon nuclear magnetic resonance (¹³C NMR) spectra were recorded on a Varian Unity Plus 400, Varian MR400, Varian vnmrs 500, Varian Inova 500, Varian Mercury 500, and Varian vnmrs 700 spectrometers. Chemical shifts for protons are reported in parts per million and are references to the NMR solvent peak (CDCl₃: δ 7.26). Chemical shifts for carbons are reported in parts per million and are referenced to the carbon resonances of the NMR solvent (CDCl₃: δ 77.23). Data are represented as follows: chemical shift, multiplicity (br = broad, s = singlet, d = doublet, t = triplet, q = quartet, dq = doublet of quartet, ddq = doublet of doublet of quartet, p = pentet, dd = doublet of doublet, ddd = doublet of doublet of doublet, hept = heptet, m = multiplet), coupling constants in Hertz (Hz) and integration. Mass spectroscopic (MS) data was recorded at the Mass Spectrometry Facility at the Department of Chemistry of the University of Michigan in Ann Arbor, MI on an Agilent Q-TOF HPLC-MS with ESI high resolution mass spectrometer. Infrared (IR) spectra were obtained using either an Avatar 360 FT-IR or Perkin Elmer Spectrum BX FT-IR spectrometer. IR data are represented as frequency of absorption (cm⁻¹).

McAtee C.C., Ellinwood D.C., McAtee R.C, & Schindler C.S. (2018). Functionalized Cyclopentanes via Sc(III)-Catalyzed Intramolecular Enolate Alkylation. Tetrahedron, 74(26), 3306-3313.

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Synthesis and Characterization of Novel Compounds

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All starting materials were purchased from Sigma-Aldrich (Germany). Melting points (°C) were determined with a Gallenkamp melting point apparatus (London, UK), and are uncorrected. ¹HNMR and ¹³CNMR were performed in NMR department, Faculty of Science, Mansoura University, Mansoura City, Egypt. ¹HNMR spectra were recorded on Varian Mercury-500 (500 MHz) (Palo Alto, CA, USA), Varian Gemini-300BB (300 MHz) (Foster City, CA, USA), and Bruker 400 MHz AV III (400 MHz) (Biocity’s, CA, USA) using dimethyl sulfoxide (DMSO)-d₆ as a solvent and tetramethylsilane (TMS) as internal standard (chemical shift in δ, ppm). ¹³CNMR spectra were recorded on Varian Gemini-300BB (100 MHz) (Foster City, CA, USA). All reactions were monitored by thin-layer chromatography (TLC) using Silica gel 60 GF254 (E-Merck-Germany) and were visualised by iodine vapours or by UV-lamp at wavelength λ 254 nm.

Salem I.M., Mostafa S.M., Salama I., El-Sabbagh O.I., Hegazy W.A, & Ibrahim T.S. (2022). Design, synthesis and antitumor evaluation of novel pyrazolo[3,4-d]pyrimidines incorporating different amino acid conjugates as potential DHFR inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry, 38(1), 203-215.

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Oleanolic Acid Purification and Analysis

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Oleanolic acid (purity > 98%) was purchased from National Institute for the Control of Pharmaceutical and Biological Products (Beijing, China). All chemical reagents were of standard quality and used without further purification. Column chromatography was carried out with silica gel as the stationary phase. ¹H- and ¹³C-NMR spectra were measured on Mercury-500 or Mercury-300 spectrometers (Varian, Palo Alto, CA, USA). The mass spectra (MS) were measured on an 1100 LC/MSD high performance ion trap mass spectrometer and an ESI mass spectrometer (LCQ) (Agilent, Santa Clara, CA, USA).

Wang S.R., Xu T., Deng K., Wong C.W., Liu J, & Fang W.S. (2017). Discovery of Farnesoid X Receptor Antagonists Based on a Library of Oleanolic Acid 3-O-Esters through Diverse Substituent Design and Molecular Docking Methods. Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry, 22(5), 690.

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Synthesis and Structural Characterization of Peptides

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All reagents, Fmoc-amino acids, and resins used in the present paper were purchased from Chemimpex and Millipore Sigma. All bulk solvents were acquired from Fischer Scientific. Peptides 1c, 3a–c were purchased from Peptide 2.0 Inc. Peptides, 1a–b, 2a–b, 3c–d, and SI-RC1–2 were synthesized using a standard automatized Fmoc-SPPS technique (solid-phase peptide synthesis) on a Protein Technologies PS-3 peptide synthesizer. Syntheses were accomplished either on a Rink amide resin of medium loading (0.27 mmol/g) or Fmoc-Glu-Wang resin (0.4 mequiv/g). Random coil model peptides SI-RC3a/b and SI-RC4 were synthesized on a manual peptide synthesizer, using a Fmoc-FPPS (fast-parallel peptide synthesis) technique, on a Rink amide resin of medium loading (0.27 mmol/g) and Fmoc-Glu-Wang resin (0.4 mequiv/g). Our synthetic hairpin peptides have a net charge of −1, +1, or + 2 (from loop sequence) to enhance water solubility and prevent aggregation. Structural assignments were made by a set of NMR spectra including TOCSY, NOESY, HSQC, and HMBC experiments recorded on a Varian Mercury500 (500 MHz) spectrometer and processed using the Vnmrj 4.2 software.

Richaud A.D., Zhao G., Hobloss S, & Roche S.P. (2021). Folding in Place: Design of β-Strap Motifs to Stabilize the Folding of Hairpins with Long Loops. The Journal of organic chemistry, 86(19), 13535-13547.

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NMR Characterization of Peptide Samples

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NMR samples were prepared by dissolving a freeze-dried peptide (~ 1–2 mg) in a mixture of phosphate buffer (50 mM, pH 6.5) and D₂O (9:1, v/v) for 1a,d and 2a; a mixture of phosphate buffer (50 mM, pH 6.5) and DMSO-d₆ (7:3, v/v) for 2c; a mixture of water and DMSO-d₆ (85:15, v/v) for 2b; and a mixture of water and DMSO-d₆ (8:2, v/v) for 1e, using 2,2-dimethyl-2-silapentane-5-sulfonate (DSS) as internal standard for chemical shifts (0 ppm). Samples were prepared in a range of 3–10 mM of peptide for ¹H NMR, TOCSY (mixing time 80 ms), NOESY (mixing time 200 ms) and ¹H−¹³C HSQC experiments. A PRESAT experiment was used to suppress the H₂O solvent signal, in order to record the initial ¹H NMR. All spectra were recorded at 291K (18 °C) on a Varian Mercury500 (500 MHz) spectrometer and processed using the Vnmrj 4.2 software. Signals assignments were obtained on the basis of a set of ¹H and TOCSY spectra (for intra-residue connectivities), NOESY spectra (for vicinal and interstrand backbone connectivities), and HSQC spectra (for H_α to C_α connectivities and W side-chains assignments).

Thomas M.C., Moran J., Mathew T.H., Russ G.R, & Mohan Rao M. (2000). Early peri-operative hyperglycaemia and renal allograft rejection in patients without diabetes. BMC Nephrology, 1, 1.

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Spectroscopic Characterization of Organic Compounds

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All the chemical reagents were commercial products and were used without purification in all cases. TLC was performed on silica gel plates (0.15–0.2 mm thickness, Yantai Huiyou Company, Yantai, China) and detected with UV light at 254 nM, Column chromatography was carried out on silica gel (200–300 mesh). Proton and carbon magnetic resonance spectra (¹H-NMR and ¹³C-NMR) were recorded on Varian Mercury-300, Varian Mercury-400, Varian Mercury-500 and/or Varian Mercury-600 spectrometers (Palo Alto, CA, United States). NMR experiments were conducted in CDCl₃, CD₃OD and DMSO-d₆. Tetramethylsilane (TMS) was used as the internal standard. Chemical shifts (δ) are reported in parts per million (ppm). Data are reported as follows: chemical shift, multiplicity (br s = broad singlet, d = doublet, dd = doublet of doublet, dt = doublet of triplet, m = multiple, s = singlet and t = triplet), coupling constants (Hz). Low-resolution mass spectra (ESI) were obtained using Agilent HPLC-MS (Palo Alto, CA, United States) (1200-6110). High resolution mass spectra (HRMS) were obtained using Agilent 1290-6545 UHPLC-QTOF. Melting points (mp) were measured by Büchi 510 melting point apparatus without further correction.

Peng L., Zhang X, & Yang C. (2019). Convenient Synthesis of 6,7,12,13-Tetrahydro-5H-Cyclohepta[2,1-b:3,4-b’]diindole Derivatives Mediated by Hypervalent Iodine (III) Reagent. Molecules, 24(5), 960.

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Comprehensive Analytical Techniques for Compound Characterization

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TLC: silica gel 60 F₂₅₄ precoated plates (Merck, Darmstadt, Germany). Column chromatography (CC): silica gel 60 (70–230 or 230–400 mesh, Merck) and Spherical C18 100A Reversed Phase Silica Gel (RP-18) (particle size: 20–40 μm) (SiliCycle, Quebec City, Canada). HPLC: Spherical C18 column (250 mm × 10 mm, 5μm) (Waters, Milford, MA, USA); LDC-Analytical-III apparatus. UV Spectra: Jasco UV-240 spectrophotometer; λ_max (log ε) in nm. Optical rotation: Jasco DIP-370 polarimeter; in CHCl₃. IR Spectra: Perkin-Elmer-2000 FT-IR spectrophotometer; ν in cm⁻¹. ¹H-, ¹³C-, and 2D-NMR spectra: Varian-Mercury-500 and Varian-Unity-Plus-400 spectrometers; δ in ppm rel. to Me₄Si, J in Hz. ESI and HRESIMS: Bruker APEX-II mass spectrometer; in m/z.

Wu M.D., Cheng M.J., Chen J.J., Khamthong N., Lin W.W, & Kuo Y.H. (2022). Secondary Metabolites with Antimicrobial Activities from Chamaecyparis obtusa var. formosana. Molecules, 27(2), 429.

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Detailed Chromatographic Techniques for Compound Separation

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For TLC, we used silica gel 60 F₂₅₄ precoated plates (Merck); for column chromatography (CC), silica gel 60 (70–230 or 230–400 mesh, Merck) and Spherical C18 100A Reversed Phase Silica Gel (RP-18) (particle size: 20–40 μm) (Silicycle). For HPLC, we used spherical C18 column (250 × 10 mm, 5 μm) (Waters) and LDC-Analytical-III apparatus. For the UV spectra, we used a Jasco UV-240 spectrophotometer, λ_max (log ε) in nm. For the optical rotation, we used Jasco DIP-370 polarimeter, in CHCl₃. For the IR spectra, we used a Perkin-Elmer-2000 FT-IR spectrophotometer; ν in cm⁻¹. For the ¹H-, ¹³C- and 2D-NMR spectra, we used Varian-Mercury-500 and Varian-Unity-Plus-400 spectrometers; δ in ppm rel. to Me₄Si, J in Hz. For ESI and HRESIMS, we used a Bruker APEX-II mass spectrometer, in m/z.

Cheng M.J., Wu M.D., Chen J.J., Su Y.S, & Kuo Y.H. (2021). Secondary Metabolites with Antimycobacterial Activities from One Actinobacteria: Herbidospora yilanensis. Molecules, 26(20), 6236.

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