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6210 lc tof

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The 6210 LC-TOF is a high-performance liquid chromatography-time of flight mass spectrometer (LC-TOF) from Agilent Technologies. It is designed to provide accurate mass measurements and high-resolution separation of complex samples. The 6210 LC-TOF is capable of performing accurate mass analysis of a wide range of compounds, making it a versatile tool for a variety of applications.

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Lab products found in correlation

Avance 3 500, by Bruker (2 mentions) Avance 3 500 mhz, by Bruker (2 mentions) Cary 50 bio uv visible spectrophotometer, by Agilent Technologies (1 mentions) 6545 lc q tof, by Agilent Technologies (1 mentions) Inova 500 mhz spectrometer, by Agilent Technologies (1 mentions) Dip 370 polarimeter, by Jasco (1 mentions) Dd2 500 mhz spectrometer, by Agilent Technologies (1 mentions) Nicolet is5 atr ftir, by Thermo Fisher Scientific (1 mentions)

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Agilent 6210 TOF LC-MS spectrometer (8 citations) 6210 LC-TOF spectrometer (7 citations) 6210 LC-TOF mass spectrometer (6 citations) Agilent-6210-LC/TOF mass spectrometer (5 citations) 6210 TOF LC/MS system (4 citations) 6210 TOF LC/MS (4 citations) Agilent 6210 LC/MSD TOF mass spectrometer (3 citations) 6210 TOF LC/MS mass spectrometer (2 citations) Agilent 6210 TOF LC/MS (2 citations) 6210 LC-TOF/MS spectrometer (2 citations)

7 protocols using 6210 lc tof

1

Analytical Characterization of Natural Products

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Optical rotations were measured on a DIP-370 polarimeter (JASCO, Oklahoma, OK, USA) at 589 nm using a sample cell of path length 0.1 dm. UV spectra were obtained on a Cary 50 Bio UV-Visible spectrophotometer (Varian, Palo Alto, CA, USA). IR spectra of the compounds, as thin films on CaF2 discs, were recorded using an IRAffinity-1 Fourier Transform spectrophotometer (Shimadzu, Kyoto, Japan). NMR spectra were acquired on an Inova 500 MHz spectrometer (Varian, Palo Alto, CA, USA) operating at 500 (1H) or 125 (13C) MHz using the residual solvent signals as internal references (CD3OD δH 3.30, δC 49.0; DMSO-d6 δH 2.50, δC 39.5; CDCl3 δH 7.26, δC 77.0). Samples were placed in 3-mm Shigemi NMR tubes as necessary. HRMS data were obtained from 6210 LC/TOF and 6545 LC/QTOF instruments (Agilent, Santa Clara, CA, USA) using electrospray ionization in positive and negative modes. ESIMS data were also obtained using a 6410 QQQ instrument (Agilent, Santa Clara, CA, USA). Samples were purified using a combination of chromatographic techniques, including high performance liquid chromatography. Purity of the compounds was assessed from their UV absorptions at appropriate wavelengths, or from their 1H NMR spectra. Percent yields of natural products were based on the amount of freeze-dried biological material.
Neupane R.P., Parrish S.M., Bhandari Neupane J., Yoshida W.Y., Yip M.L., Turkson J., Harper M.K., Head J.D, & Williams P.G. (2019). Cytotoxic Sesquiterpenoid Quinones and Quinols, and an 11-Membered Heterocycle, Kauamide, from the Hawaiian Marine Sponge Dactylospongia elegans. Marine Drugs, 17(7), 423.
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2

Characterization of Synthesized Compounds

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All reagents were obtained from commercial suppliers and used without further purification. All solvents were distilled and stored under argon or a nitrogen atmosphere before use. All reactions were performed under an argon atmosphere unless otherwise noted. Analytical thin layer chromatography was visualized by ultraviolet light or by using phosphomolybdic acid as a universal stain. Flash chromatography was carried out under a positive pressure of nitrogen. 1H NMR and 13C NMR spectra were obtained with a Bruker AVANCE III 500 (500 MHz) spectrometer; chemical shift (δ) values were referenced to tetramethylsilane as internal standard and reported as follows: (δ) shift (multiplicity, coupling constants, proton count). Coupling constants were taken directly from spectra and are uncorrected. 13C NMR spectra were recorded at 125 MHz, and all chemical shifts are reported in ppm on the δ scale with an internal reference of δ 77.16 or 49.0 for CDCl3 or CD3OD, respectively. High-resolution mass spectra (HRMS) were measured with an Agilent 6210 LC-TOF (ESI, APCI, APPI) mass spectrometer. The purity of the synthesized final compounds was determined by HPLC analysis to be ≥95%. The column used was a Phenomenex Luna 5 μm 200 Å, 4.6 × 250 mm.
Kang S., Watanabe M., Jacobs J., Yamaguchi M., Dahesh S., Nizet V., Leyh T.S, & Silverman R.B. (2014). Synthesis of Mevalonate- and Fluorinated Mevalonate Prodrugs and Their in vitro Human Plasma Stability. European journal of medicinal chemistry, 90, 448-461.
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3

Synthesis of BODIPY-Diamine Conjugate

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3-Chloro-5-methoxy-8-mesityl-BODIPY(1) (32 mg, 0.085 mmol) and N1-(pyridin-2-yl)-N2,N2-bis(pyridin-2-ylmethyl)ethane-1,2-diamine(2) (57 mg, 0.17 mmol) were combined in 5 mL of dry CH3CN in an oven dried Schlenk flask under N2. The reaction was heated at 80 °C overnight. Following cooling and solvent removal, the product was purified by silica gel chromatography (0–5% CH3OH in CH2Cl2) to yield the pure product as a dark pink residue (40 mg, 70% yield).1H NMR (CDCl3, 500 MHz): ∂ 8.51 (1H, m), 8.48 (2H, m), 7.62 (3H, dq, J = 2.0, 7.5 Hz), 7.53 (2H, d, J = 8.0 Hz), 7.37 (1H, d, J = 8.0 Hz), 7.15 (1H, m), 7.12 (2H, m), 6.89 (2H, s), 6.34 (1H, d, J = 4.5), 6.10 (1H, d, J = 4.0 Hz), 5.87 (1H, d, J = 4.5 Hz), 5.61 (1H, d, J = 4.0 Hz), 5.22 (2H, s), 3.96 (3H, s), 3.89 (4H, s), 3.86 (2H, m), 2.92 (2H, m), 2.33 (3H, s), 2.08 (6H, s). HR-ESI-MS MH+ C39H41BF2N7O+calc. 672.3428, found 672. 3432. NMR spectra were obtained on a Bruker Avance-III 500 MHz. High resolution mass spectrum was measured on an Agilent 6210 LC-TOF. Additional experimental details are provided in the Supplementary Methods.
Que E.L., Bleher R., Duncan F.E., Kong B.Y., Gleber S.C., Vogt S., Chen S., Garwin S.A., Bayer A.R., Dravid V., Woodruff T.K, & O’Halloran T.V. (2014). Quantitative mapping of zinc fluxes in the mammalian egg reveals the origin of fertilization-induced zinc sparks. Nature chemistry, 7(2), 130-139.
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4

Synthesis of BODIPY-Diamine Conjugate

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3-Chloro-5-methoxy-8-mesityl-BODIPY(1) (32 mg, 0.085 mmol) and N1-(pyridin-2-yl)-N2,N2-bis(pyridin-2-ylmethyl)ethane-1,2-diamine(2) (57 mg, 0.17 mmol) were combined in 5 mL of dry CH3CN in an oven dried Schlenk flask under N2. The reaction was heated at 80 °C overnight. Following cooling and solvent removal, the product was purified by silica gel chromatography (0–5% CH3OH in CH2Cl2) to yield the pure product as a dark pink residue (40 mg, 70% yield).1H NMR (CDCl3, 500 MHz): ∂ 8.51 (1H, m), 8.48 (2H, m), 7.62 (3H, dq, J = 2.0, 7.5 Hz), 7.53 (2H, d, J = 8.0 Hz), 7.37 (1H, d, J = 8.0 Hz), 7.15 (1H, m), 7.12 (2H, m), 6.89 (2H, s), 6.34 (1H, d, J = 4.5), 6.10 (1H, d, J = 4.0 Hz), 5.87 (1H, d, J = 4.5 Hz), 5.61 (1H, d, J = 4.0 Hz), 5.22 (2H, s), 3.96 (3H, s), 3.89 (4H, s), 3.86 (2H, m), 2.92 (2H, m), 2.33 (3H, s), 2.08 (6H, s). HR-ESI-MS MH+ C39H41BF2N7O+calc. 672.3428, found 672. 3432. NMR spectra were obtained on a Bruker Avance-III 500 MHz. High resolution mass spectrum was measured on an Agilent 6210 LC-TOF. Additional experimental details are provided in the Supplementary Methods.
Que E.L., Bleher R., Duncan F.E., Kong B.Y., Gleber S.C., Vogt S., Chen S., Garwin S.A., Bayer A.R., Dravid V., Woodruff T.K, & O’Halloran T.V. (2014). Quantitative mapping of zinc fluxes in the mammalian egg reveals the origin of fertilization-induced zinc sparks. Nature chemistry, 7(2), 130-139.
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5

Synthesis and Characterization of CPP-115

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CPP-115 was synthesized at IRIX Pharmaceuticals for Catalyst Pharmaceuticals, which generously provided it; other chemicals were obtained from Sigma-Aldrich and used as received unless specified. All syntheses were conducted with anhydrous conditions under an atmosphere of argon, using flame-dried glassware and employing standard techniques for handling air-sensitive materials, unless otherwise noted. All solvents were distilled and stored under an argon or nitrogen atmosphere before use. 1H NMR and 13C NMR spectra were taken on a Bruker AVANCE III 500 spectrometer, an Agilent DDR2 400 MHz spectrometer, or an Agilent DD2 500 MHz spectrometer with an Agilent 5 mm HFX probe at 26 °C using DMSO-d6 or D2O as solvents, recorded in δ (ppm) and referenced to DMSO-d6 (2.50 ppm for 1H NMR and 39.52 ppm for 13C NMR) or D2O (4.79 ppm for 1H NMR). High resolution mass spectra (HRMS) were measured with an Agilent 6210 LC-TOF (ESI, APCI, APPI) mass spectrometer.
Juncosa J.I., Takaya K., Le H.V., Moschitto M.J., Weerawarna P.M., Mascarenhas R., Liu D., Dewey S.L, & Silverman R.B. (2018). Design and Mechanism of (S)-3-Amino-4-(difluoromethylenyl)cyclopent-1-ene-1-carboxylic Acid, a Highly Potent GABA Aminotransferase Inactivator for the Treatment of Addiction. Journal of the American Chemical Society, 140(6), 2151-2164.
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6

Deuterated Compound Synthesis and Characterization

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Unless otherwise noted, all of the reagents were obtained from commercial sources and used as received without further purification. All solvents were distilled and stored under an argon or nitrogen atmosphere before use. All of the syntheses were carried out under an atmosphere of argon using flame-dried glassware. 1H NMR and 13C NMR spectra were recorded on a Bruker AVANCE III 500 spectrometer at 26 °C using DMSO-d6 or CDCl3 as solvents. Chemical shifts are reported in parts per million (ppm, δ) and referenced to DMSO-d6 (2.50 ppm for 1H NMR and 39.52 ppm for 13C NMR) or CDCl3 (7.26 ppm for 1H NMR and 77.2 ppm for 13C NMR). Coupling constants (J) are reported in Hz, and spin multiplicities are described as s (singlet), br (broad singlet), d (doublet), t (triplet), q (quartet), and m (multiplet). High-resolution mass spectra (HRMS) were measured with an Agilent 6210 LC-TOF (ESI,APCI, APPI) mass spectrometer. Purities of the final deuterated compounds were greater than 95%, as determined by reverse-phase HPLC analysis.
Compounds 4 and 5 were prepared according to literature procedures.29 (link),30 (link)
Weerawarna P.M., Moschitto M.J, & Silverman R.B. (2021). Theoretical and Mechanistic Validation of Global Kinetic Parameters of the Inactivation of GABA Aminotransferase by OV329 and CPP-115. ACS chemical biology, 16(4), 615-630.
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7

Comprehensive Analytical Characterization

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NMR were performed on a Bruker AVANCE™ 400 MHz solution spectrometer equipped with a 5 mm broadband tunable probe for X nuclei. Infrared spectra were collected on a commercial ThermoFisher Scientific Nicolet iS5 ATR-FTIR. High resolution mass spectrometry was performed on an Agilent 6210 LC-TOF (ESI, APCI, APPI).
Aldrich K.E., Popov I.A., Root H.D., Batista E.R., Greer S.M., Kozimor S.A., Lilley L.M., Livshits M.Y., Mocko V., Janicke M.T., Scott B.L., Stein B.W, & Yang P. (2022). Synthesis, solid-state, solution, and theoretical characterization of an "in-cage" scandium-NOTA complex. Dalton transactions (Cambridge, England : 2003), 51(26).
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