6200 series tof

Manufactured by Agilent Technologies

Sourced in Japan, United States, Germany

The Agilent 6200 Series TOF is a time-of-flight mass spectrometer designed for high-resolution, accurate-mass analysis. The instrument utilizes a reflectron-type time-of-flight analyzer to provide high-resolution mass measurements. The 6200 Series TOF is capable of performing full-scan analysis over a wide mass range with high sensitivity.

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6200 series (3 citations) Agilent 6200 Series TOF (3 citations) 6200 series TOF/6500 series Q-TOF 10.1 (2 citations) Agilent 6200 series TOF/6500 series (2 citations) 6200 Series Q-TOF (2 citations) 6200 series nanoHPLC-chip-TOF-MS (2 citations)

10 protocols using 6200 series tof

Analytical Characterization of Synthesized Compounds

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All general chemicals were
purchased from Acros Organics (Belgium), Merck (Germany), Sigma-Aldrich
(USA), Guangdong Guanghua (China), and Chemsol (Vietnam) and used
without further purification unless otherwise stated.
Thin-layer
chromatography was conducted on silica gel 60 F₂₅₄, and
the spots were located under UV light (254 nm). The uncorrected melting
points were conducted in open capillaries on a Krüss Optronic
M5000 melting point meter (Germany). The UV–vis spectra were
recorded on a UV–vis Metash UV-5100 spectrophotometer or JASCO
V-630 UV–vis spectrophotometer. The NMR spectra were measured
using either a Bruker Advanced 500 or 600 MHz NMR spectrometer in
(CD₃)₂SO. The chemical shifts (δ) were
expressed in ppm and referred to the residual peak of tetramethylsilane
as an internal standard. The IR spectra were recorded on a Bruker
Tensor 27 FTIR spectrometer or PerkinElmer Frontier FTIR spectrometer
by using KBr pellets. The high-resolution mass spectra were measured
on the Agilent 6200 series TOF and 6500 series Q-TOF LC/MS system.
The purity of all tested compounds was >95% according to HPLC performed
on the Shimadzu SPD-20A HPLC system (Shimadzu, Japan) equipped with
a BDS Hypersil C18 column (250 × 4.6 mm, 5 μm) or the Agilent
1290 Infinity equipped with a Zorbax Eclipse Plus C18 column (250
× 4.6 mm, 5 μm).

Phan N.K., Huynh T.K., Nguyen H.P., Le Q.T., Nguyen T.C., Ngo K.K., Nguyen T.H., Ton K.A., Thai K.M, & Hoang T.K. (2023). Exploration of Remarkably Potential Multitarget-Directed N-Alkylated-2-(substituted phenyl)-1H-benzimidazole Derivatives as Antiproliferative, Antifungal, and Antibacterial Agents. ACS Omega, 8(31), 28733-28748.

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Characterization of Organic Compounds

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All chemicals were obtained from commercial suppliers, and used without further purification. Melting points were determined on open capillary tubes and are uncorrected (using Gallenkamp apparatus). IR spectra were recorded on a Bruker FTIR Tensor 27 instrument. MS spectra were recorded on an Agilent 6200 Series TOF and 6500 Series Q-TOF LC/MS system. ¹H-NMR and ¹³C-NMR spectra were recorded on an AV500 Bruker (500 MHz) spectrometer. Chemical shifts were reported in parts per million (ppm) downfield relative to tetramethylsilane as an internal standard. Peak splitting patterns were abbreviated as m (multiplet), s (singlet), bs (broad singlet), d (doublet), bd (broad doublet), t (triplet), and dd (doublet of doublets).
All computation processes were performed on a computer system with the processsor of Intel® Core^TM i&-7700 CPU @ 3.60 Hz, 16.0 GB of RAM, the Visual Graphic Card of NVIDIA GeForce GT 1030 2GB, and the operating system of 64 bit Windows 10 (Microsoft, Redmond, WA, USA).

Tran T.S., Le M.T., Nguyen T.C., Tran T.H., Tran T.D, & Thai K.M. (2020). Synthesis, In Silico and In Vitro Evaluation for Acetylcholinesterase and BACE-1 Inhibitory Activity of Some N-Substituted-4-Phenothiazine-Chalcones. Molecules, 25(17), 3916.

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Characterization of Novel Synthetic Compounds

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All chemicals were obtained from commercial suppliers and used without further purification. Melting points were determined on open capillary tubes and are uncorrected (using a Stuart apparatus SMP20, Cole-Parmer, Staffordshire, UK). UV, IR, HRMS, and ¹H-NMR and ¹³C-NMR spectra were recorded on V-730 UV-Vis (Jasco International Co. Ltd., Tokyo, Japan), IR Prestige-21 (Shimadzu, Kyoto, Japan), 6200 Series TOF and 6500 Series Q-TOF LC/MS (Agilent, Santa Clara, CA, USA) and AV500 (500 MHz, 125 MHz) (Bruker, Billerica, MA, USA) spectrometers, respectively. Chemical shifts were reported in parts per million (ppm) downfield relative to tetramethylsilane as an internal standard. Peak splitting patterns were abbreviated as m (multiplet), s (singlet), bs (broad singlet), d (doublet), bd (broad doublet), t (triplet) and dd (doublet of doublets), respectively. All computational processes were performed on a computer system equipped with an Intel^® Core^TM i&-7700 CPU @ 3.60 Hz processor, 16.0 GB of RAM, an NVIDIA GeForce GT 1030 2GB Visual Graphics Card and the 64 bit Windows 10 operating system (Microsoft, Redmond, WA, USA).

Tran T.S., Tran T.D., Tran T.H., Mai T.T., Nguyen N.L., Thai K.M, & Le M.T. (2020). Synthesis, In Silico and In Vitro Evaluation of Some Flavone Derivatives for Acetylcholinesterase and BACE-1 Inhibitory Activity. Molecules, 25(18), 4064.

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Preparation and Characterization of Organic Compounds

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Reactions were performed in flame-dried glassware under an argon or nitrogen atmosphere. Solvents were dried by passage through an activated alumina column under argon. Triethylamine (NEt₃) was distilled from sodium hydride immediately prior to use. Other commercial reagents were used as received. Thin-layer chromatography (TLC) was performed using E. Merck silica gel 60 F254 precoated plates (0.25 mm) and visualized by UV fluorescence quenching. Silica Flash P60 Academic Silica gel (particle size 0.040-0.063 mm) was used for flash chromatography. ¹H and ¹³C NMR spectra were recorded on either a Varian Mercury 500 spectrometer at 500 MHz and 125 MHz, respectively, or a Varian Mercury 300 spectrometer at 300 or 75 MHz, respectively. ¹³C spectra are referenced to residual CDCl₃ (77.2). ¹⁹F NMR spectra were recorded on a Varian 300 (at 282 MHz) and are reported relative to CFCl₃ (δ 0.0). Data for ¹H and ¹⁹F NMR spectra are reported as follows: chemical shift (δ ppm) (multiplicity, coupling constant (Hz), integration). MS were acquired using an Agilent 6200 Series TOF with an Agilent G1978A Multimode source in electrospray ionization (ESI), atmospheric pressure chemical ionization (APCI) or mixed (MM) ionization mode. Some compounds were synthesized in this work and others were obtained from the in-house compound library.

Zhang G., Li S., Wang F., Jones A.C., Goldberg A.F., Lin B., Virgil S., Stoltz B.M., Deshaies R.J, & Chou T.F. (2021). A Covalent p97/VCP ATPase Inhibitor can overcome resistance to CB-5083 and NMS-873 in colorectal cancer cells. European journal of medicinal chemistry, 213, 113148.

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Isolation and Characterization of 3-Hydroxyphloridzin

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The putative 3-hydroxyphloridzin peak showed an UV spectrum with λ_max at 284 nm which is similar with those of phloridzin in front of each is eluted at t_R = 97 min. The same elution behavior was reported by Leu et al. (2006 (link)). The compound was isolated by several analytical HPLC runs and respective fractions were combined. The hydrolysis with glycosidase was performed as described by Regos et al. (2009 (link)). MS analysis was performed with a Time-of-Flight mass spectrometer (ToF–MS) (6200 series ToF, Agilent Technologies, Santa Clara, CA, USA). The sample was provided in a 100 µL syringe (Hamilton-Bonaduz, Switzerland), located in a syringe pump (Model 11 Plus, Harvard Apparatus, Hugo Sachs Elektronik, Hugstetten, Germany), which was set to a flow rate of 8 µL/min. Upon injection to the MS electrospray ionization source sample compounds were detected in negative ionization mode. MS conditions were as follows: 80–3200 m/z range; 300 °C gas temperature; 3 L/min gas flow; 15 psig nebulizer operating pressure; 100 °C sheath gas temperature; 3 L/min sheath gas flow; 2000 V capillary voltage; 2000 V nozzle voltage; 65 V skimmer voltage and 100 V fragmentor voltage. Besides the determination of the compounds exact molecular weight, fragmentation was induced using the same MS parameters except for an increase of fragmentor voltage to 200 V.

Hutabarat O.S., Flachowsky H., Regos I., Miosic S., Kaufmann C., Faramarzi S., Alam M.Z., Gosch C., Peil A., Richter K., Hanke M.V., Treutter D., Stich K, & Halbwirth H. (2016). Transgenic apple plants overexpressing the chalcone 3-hydroxylase gene of Cosmos sulphureus show increased levels of 3-hydroxyphloridzin and reduced susceptibility to apple scab and fire blight. Planta, 243, 1213-1224.

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ESIMS Analysis of Agilent Instruments

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ESIMS spectra were gained using 6200 Series TOF and 6500 Series Q-TOF B.06.01 of Agilent, Germany.

Ha Minh H., Huynh Ngoc Thuy T, & Tran Viet H. (2023). Isolation of oleanolic acid from Clematis armandii for differentiation it from adulterants by HPTLC/HPLC. Heliyon, 9(4), e15008.

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Mass Spectrometry Characterization of ARX788

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ARX788 DS samples were analyzed by LC-MS (Agilent 6200 Series TOF), following which molecular masses were obtained by deconvoluting the mass spectrum using Agilent MassHunter protein deconvolution software. For non-reduced mass analysis, no sample preparation was done prior to LC-MS analysis besides sample dilution in formulation buffer. For deglycosylation, the samples were treated with Peptide:N-Glycosidase F (PNGaseF) at 37°C for 2 hours prior to LC-MS analysis. For reduced mass analysis, the samples were treated with dithiothreitol (DTT) along with 4 M guanidine hydrochloride (GdnHCl) and heated at 70°C for 10 minutes before analysis by LC-MS.
All intact mass spectra were collected in positive ion mode with the mass range set to 700–3000 m/z with capillary and source temperatures at 300°C, sheath gas flow rate at 50 arbitrary units and auxiliary gas flow rate at 8 arbitrary units. The capillary voltage was set to 3500V with the fragmentor voltage set to 200V. The acquired spectra were deconvoluted using Agilent MassHunter protein deconvolution software.

Yu W., Ramprasad M.P., Pal M., Chen C., Paruchuri S., Skidmore L., Knudsen N., Allen M, & Buechler Y. (2023). Analytical comparability to evaluate impact of manufacturing changes of ARX788, an Anti-HER2 ADC in late-stage clinical development. PLOS ONE, 18(7), e0284198.

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Characterization of Synthetic Compound

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Unless otherwise required, all reagents used in the experiment were purchased as commercial analytical grade and used without further purification. Melting points were obtained in open capillary tubes with a WRS-1B melting point apparatus (Shanghai Shenguang Instrument Co., Ltd., Shanghai, CHN) and were uncorrected. The structure of the synthetic compound was confirmed by ¹H-NMR and ¹³C-NMR spectra on 400/54 Premium Shielded NMR Magnet System (Agilent, Santa Clara, USA) with tetramethylsilane (TMS) as an internal standard. HRMS spectra data were collected from an Agilent 6200 Series TOF and 6500 Series Q-TOF LC/MS System B.05.01. (B5125) in positive ion modes (Agilent, Santa Clara, USA).

Cai D., Zhang Z.H., Chen Y., Ruan C., Li S.Q., Chen S.Q, & Chen L.S. (2020). Design, synthesis and biological evaluation of novel amide-linked 18β-glycyrrhetinic acid derivatives as novel ALK inhibitors. RSC Advances, 10(20), 11694-11706.

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Spectroscopic Characterization of Organic Compounds

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Specific optical rotations ([α]^D) were measured on a Perkin Elmer 241 polarimeter in a 100 mm × 2 mm cell at 20 °C. Nuclear magnetic resonance (NMR) spectra were obtained either on a Bruker Ascend 600 MHz spectrometer equipped with a 5 mm TXI cryoprobe (¹H 600 MHz, ¹³C 150 MHz) or a Varian VNMRS-500 MHz (¹H 500 MHz, ¹³C 125 MHz). Spectra were acquired at 25 °C (unless otherwise specified) in MeOH-d₄ with reference to residual ¹H or ¹³C signals in the deuterated solvent. HR-ESI mass spectra were measured using Agilent 6200 series TOF and 6500 series Q-TOF LC/MS systems. The HPLC-DAD purification was performed on a Shimadzu Prominence liquid chromatograph LC-20AT coupled with a SPD-M20A photodiode array detector (Shimadzu Corp., Tokyo, Japan) and the semipreparative reversed-phase C18 column Inertsil ODS-3 (10 mm I.D. × 250 mm, 5 μm, G.L. Sciences, Tokyo, Japan). The mobile phase was composed of ultrapure water (Milli-Q, Millipore, Schwalbach, Germany) as solvent A and acetonitrile (HPLC grade) as solvent B.

Garcia K.Y., Quimque M.T., Lambert C., Schmidt K., Primahana G., Stradal T.E., Ratzenböck A., Dahse H.M., Phukhamsakda C., Stadler M., Surup F, & Macabeo A.P. (2022). Antiproliferative and Cytotoxic Cytochalasins from Sparticola triseptata Inhibit Actin Polymerization and Aggregation. Journal of Fungi, 8(6), 560.

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Spectroscopic Analysis of Chemical Compounds

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IR spectra were obtained on a Perkin Elmer Spectrum 100 FT-IR spectrometer. Mass spectra analysis was carried out on Thermo-Scientific TSQ Quantum Access Max LC-MS/MS equipped with an ESI source. High Resolution Mass spectra were obtained on Agilent 6200 Series TOF and 6500 Series QTOF-MS system equipped with an ESI source. Optical rotation measurements were done on a Perkin Elmer Model-351 polarimeter in MeOH at 20 C. 1D and 2D (COSY, HMBC, HSQC and NOESY) NMR spectra were recorded on Varian Oxford AS400 spectrometer with TMS as internal standard at room temperature. 2D NMR spectra were run using standard Varian pulse programs. Column chromatography was carried out on silica gel 60 (40e63 mm-Merck), Sephadex LH-20 (GE Healthcare) and Lichroprep RP-C18 (25e40 mm, Merck) using analytical grade purity solvents (Merck and Sigma). TLC analyses were carried out on silica gel 60 F 254 and RP-C18 F 254s (Merck) pre-coated aluminum plates. Compounds were detected by UV (244e366 nm) and vanillin/H 2 SO 4 reagent followed by heating. Spraying with ninhydrin reagent followed by heating was used to detect the amino acid residue.

Demir S., Karaalp C, & Bedir E. (2017). Specialized metabolites from the aerial parts of Centaurea polyclada DC. Phytochemistry, 143.

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