Q exactive orbitrap ms system

Manufactured by Thermo Fisher Scientific

Sourced in United States, Germany

The Q Exactive Orbitrap MS system is a high-resolution, accurate-mass (HRAM) mass spectrometer designed for advanced analytical applications. It combines a quadrupole mass filter with an Orbitrap mass analyzer to provide high-performance, high-resolution, and accurate mass measurements. The system is capable of performing full-scan MS and tandem MS (MS/MS) analysis.

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Lab products found in correlation

6200 q tof ms system, by Thermo Fisher Scientific (3 mentions) 1260 liquid chromatography system, by Agilent Technologies (3 mentions) Silica gel, by Qingdao Haiyang Chemical (3 mentions) Gf254, by Qingdao Haiyang Chemical (3 mentions) Dionex ics 5000 system, by Thermo Fisher Scientific (2 mentions) Agilent 6224 tof lc ms system, by Agilent Technologies (2 mentions) Agilent g7100a capillary electrophoresis instrument, by Agilent Technologies (2 mentions) Agilent 1200 series isocratic hplc pump, by Agilent Technologies (2 mentions) G1607a agilent, by Agilent Technologies (2 mentions) Agilent g1603a ce ms adapter kit, by Agilent Technologies (2 mentions) Masshunter software, by Agilent Technologies (2 mentions) Fourier transform infrared spectrometer, by Shimadzu (2 mentions) Avance 3 600 mhz spectrometer, by Bruker (2 mentions) N n dimethylformamide (dmf), by Merck Group (1 mentions) Tlc silica gel 60 f254, by Merck Group (1 mentions) Nicolet is10 ft ir spectrometer, by Thermo Fisher Scientific (1 mentions) Sephadex lh 20 column, by GE Healthcare (1 mentions) Evolution 220 uv vis spectrophotometer, by Thermo Fisher Scientific (1 mentions) Av 400 spectrometer, by Bruker (1 mentions) Pack ods a column, by YMC (1 mentions)

Close spelling variants of this product

Q Exactive (1165 citations) Q Exactive Orbitrap (257 citations) Q Exactive MS (87 citations) Q Exactive Orbitrap MS (56 citations) Orbitrap MS (49 citations) Q-Exactive system (37 citations) Q-Exactive MS system (14 citations) Orbitrap Exactive (13 citations) Q Exactive Plus Orbitrap LC-MS/MS System (8 citations) Q Exactive Orbitrap LC-MS/MS system (6 citations)

13 protocols using q exactive orbitrap ms system

Synthesis of Functionalized Heterocyclic Compounds

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All reactions were
carried out under a nitrogen or argon atmosphere using dry solvents
under anhydrous conditions unless otherwise noted. DMF, carbonyldiimidazole
(CDI), and all other chemicals were purchased from Sigma-Aldrich and
used without further purification unless indicated otherwise. The ¹H and ¹³C NMR spectra were recorded on a Bruker
Avance 300 MHz spectrometer. Chemical shifts are reported in parts
per million (ppm) referenced with respect to residual solvent (DMSO
= 2.50/39.52 ppm). The following abbreviations were used to indicate
multiplicities: s = singlet, d = doublet, dd = double doublet, t =
triplet, m = multiplet, br s = broad singlet, and qdd = double doublet
of quartet. High-resolution mass spectra (HRMS) were obtained by electrospray
ionization and performed on a Q Exactive Orbitrap MS system, Thermo
Fisher Scientific. For column chromatography, silica gel (40–63
μm, Merck) was used. The retention factors (R_f) were determined by thin layer chromatography on pre-coated
silica plates (Merck TLC Silica gel 60 F254). The spots were visualized
by UV light and stained with ceric ammonium molybdate solution, followed
by treatment with a heat gun.

Kempf O., Ullmann G.M., Schobert R., Kempf K, & Bombarda E. (2021). Chemoselective Attachment of the Water-Soluble Dark Quencher Hydrodabcyl to Amino Groups in Peptides and Preservation of Its Spectroscopic Properties over a Wide pH Range. ACS Omega, 6(48), 32896-32903.

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Comprehensive Characterization of Chemical Compounds

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Nuclear magnetic resonance (NMR) was obtained on a Bruker AV-400 spectrometer (Bruker Corporation, Karlsruhe, Germany). HRMSESI data were recorded on a Q-Exactive Orbitrap MS system (Thermo Fisher Scientific, Bremen, Germany). UV data were obtained on an Evolution 220 UV-vis spectrophotometer (Thermo Fisher Scientific, Madison, United States). Infrared spectroscopy (IR) spectra were obtained on a Nicolet™ iS10 FTIR spectrometer (Thermo Fisher Scientific, Madison, United States). Optical rotations were recorded on an Autopol VI automatic polarimeter (PerkinElmer, Waltham, MA, United States). The silica gel (100–200 and 200–300 mesh, Qingdao Marine Chemical Factory, Qingdao, China) and Sephadex LH-20 column (GE Healthcare Bio-Sciences AB, Uppsala, Sweden) were used for open column chromatography (CC). Fractions were monitored by TLC (HSGF 254, Yantai Jiangyou Silica Gel Development Co., Yantai, China), and spots were visualized by heating silica gel plates after soaking in methanol supplemented with 10% H₂SO₄. The preparative HPLC was performed with UltiMate 300 HPLC (Thermo Fisher Scientific, Madison, United States) equipped with a YMC-Pack ODS-A column (250 × 10 mmI.D, S-5 μm, 12 nm, and flow speed = 2–3 ml/min, YMC Co., Ltd., Kyoto, Japan).

Luo H.Z., Jiang H., Huang X.S, & Jia A.Q. (2022). New Sesquiterpenoids From Plant-Associated Irpex lacteus. Frontiers in Chemistry, 10, 905108.

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Metabolomic Analysis of Stable Isotope Labeling in Cell Lines

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All stable isotopes were purchased from Cambridge Isotope Laboratories, Inc. Cells were seeded on a 100 mm dish and cultured overnight. On the next day, culture media were replaced to [U-¹³C] glucose containing culture media (DMEM/10% FBS/4.5 g/L [U-¹³C] glucose for U87MG, MEM/10% HS/1 g/L [U-¹³C] glucose for primary glia) or ¹⁵N₅-guanosine-containing culture media (DMEM/10% dialyzed FBS or MEM/10% HS/1 μM guanosine). For neurospheres, neural stem cell-supporting culture medium (NSM) containing 17.5 mM [U-¹³C] glucose, 2.5 mM ¹³C₅, ¹⁵N₂-glutamine was used. Cells were harvested at indicated times. Extraction of metabolites was performed as previously described⁶². Capillary electrophoresis-time-of-flight mass spectrometry (CE-TOFMS) experiments were performed using an Agilent G7100A Capillary Electrophoresis instrument (Agilent technologies), an Agilent 6224 TOF LC/MS system (Agilent technologies), an Agilent 1200 series isocratic HPLC pump, a G1603A Agilent CE-MS adapter kit and a G1607A Agilent CE-electrospray ionization (ESI)-MS sprayer kit. For CE-TOFMS system control and data acquisition, we used an Agilent MassHunter software. Detailed conditions of CE-TOFMS-based metabolome analysis were described^{63 ,64}. Capillary ion chromatography (IC)-MS analysis was performed using a Dionex ICS-5000⁺ system equipped with a Q Exactive Orbitrap MS system (Thermo Fisher Scientific).

Kofuji S., Hirayama A., Eberhardt A.O., Kawaguchi R., Sugiura Y., Sampetrean O., Ikeda Y., Warren M., Sakamoto N., Kitahara S., Yoshino H., Yamashita D., Sumita K., Wolfe K., Lange L., Ikeda S., Shimada H., Minami N., Malhotra A., Morioka S., Ban Y., Asano M., Flanary V.L., Ramkissoon A., Chow L.M., Kiyokawa J., Mashimo T., Lucey G., Mareninov S., Ozawa T., Onishi N., Okumura K., Terakawa J., Daikoku T., Wise-Draper T., Majd N., Kofuji K., Sasaki M., Mori M., Kanemura Y., Smith E.P., Anastasiou D., Wakimoto H., Holland E.C., Yong W.H., Horbinski C., Nakano I., DeBerardinis R.J., Bachoo R.M., Mischel P.S., Yasui W., Suematsu M., Saya H., Soga T., Grummt I., Bierhoff H, & Sasaki A.T. (2019). IMP dehydrogenase-2 drives aberrant nucleolar activity and promotes tumorigenesis in glioblastoma. Nature cell biology, 21(8), 1003-1014.

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Spectroscopic Characterization of Organic Compounds

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To acquire the infrared (IR) spectra, we used a Shimadzu Fourier Transform Infrared spectrometer with KBr pellets. The ultraviolet (UV) spectra were acquired using a double beam spectrophotometer (UH5300). The optical rotations were acquired using a Rudolph Autopol IV polarimeter (Hackettstown, NJ, USA). High-resolution electrospray ionization mass spectra (HRESIMS) were obtained using an Agilent 6200 Q-TOF MS system or a Thermo Scientific Q Exactive Orbitrap MS system. Nuclear magnetic resonance (NMR) spectra were obtained using a Bruker Avance III 600 MHz spectrometer (Bruker, Karlsruhe, Germany). Column chromatography (CC) was performed using a Sephadex LH-20 (GE Healthcare) with silica gel (80–100 and 200–300 mesh) and RP-18 gel (20–45 μm; FuJi). High-performance liquid chromatography (HPLC) was performed using an Agilent 1260 liquid chromatography system equipped with Zorbax SB-C18 columns (5 μm; 9.4 mm × 150 mm or 21.2 mm × 150 mm).

Li Y.C., Yang J., Zhao Y.Z., Ma Q.D., Liu B.G, & Sun J.L. (2023). Cytochalasans from the Endophytic Fungus Aspergillus sp. LE2: Their Structures, Antibacterial and NO Production Inhibitory Activities. Journal of Fungi, 9(3), 374.

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Negative Mode Mass Spectrometry Protocol

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Mass spectrometry was executed using a Q Exactive Orbitrap MS system (Thermo Fisher, Waltham, MA, USA) with a heated electrospray ionization source for the ionization of the target compounds under the negative mode. The following are operating parameters: auxiliary gas heater temp, 300 °C; spray voltage, 3.70 KV; capillary temp, 320 °C; auxiliary gas pressure, 10 arb; sheath gas pressure, 30 psi; scan modes, full MS (resolution 70,000), and scan range, 100–1500 m/z. The data were processed using the Xcalibur software (Thermo).

Zhang X., Cao Y., Li J., Liu A., Liu H, & Huang L. (2017). Neuraminidase Inhibitory Activity and Constituent Characterization of Fagopyrum dibotrys. Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry, 22(11), 1998.

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UPLC-MS/MS Analysis of Organic Compounds

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The extract was analyzed by Thermo Fisher UltiMate 3000 UPLC (Thermo Fisher Scientific, Waltham, MA, USA). A Waters ACQUITY UPLC HSS T3 (2.1 × 100 mm, 1.8 μm) column was used with mobile phases of 0.05% formic acid aqueous solution (A)—0.05% formic acid acetonitrile (B). Gradient elution (0–5 min, 0% B; 5–15 min, 0–33% B; 15–20 min, 33–63% B; 20–30 min, 63–2% B). Column temperature was 30 °C. Flow rate was 0.3 mL/min, and injection volume was 5 μL.
The mass spectrometry was performed using Thermo Fisher Q-Exactive Orbitrap MS system (Thermo Fisher, MA, USA). ESI ion source was adopted positive and negative ion modes. For the positive and negative ESI analysis, the parameters were as follows: capillary voltage at 3500 V, temperature at 350 °C, sheath gas at 45.0 L/min, auxiliary gas at 10.0 L/min, fragmentation voltage at 60 V, collision energy at 20.0, 40.0 and 60.0 eV. Quality scan range was 80–1200 Da.

Chi B., Liang X., Wang L., Bian Y., Zhang M., Tang Z., Wang D, & Tian Z. (2022). Component Characterization, In Vitro Activities and Molecular Mechanism of Cydonia oblonga Mill. against Diabetic. Pharmaceuticals, 15(12), 1566.

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Spectroscopic Characterization of Compounds

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Optical rotations (ORs)
were measured using a Horiba SEPA-300 polarimeter. Infrared (IR) spectra
were obtained with a Tenor 27 spectrophotometer using KBr pellets.
One-dimensional (1D) and two-dimensional (2D) nuclear magnetic resonance
(NMR) spectra were recorded using a Bruker Avance III 600 MHz spectrometer
with tetramethylsilane as an internal standard. Chemical shifts (δ)
were expressed in ppm with reference to the solvent signals. High-resolution
electrospray ionization mass spectra (HRESIMS) were recorded on an
Agilent 6200 Q-TOF MS system or a Thermo Scientific Q Exactive Orbitrap
MS system. Column chromatography (CC) was performed on silica gel
(200–300 mesh, Qingdao Haiyang Chemical Co., Ltd., China),
reverse phase-C₁₈ gel (20–45 μm, Fuji), and
Sephadex LH-20 (GE Healthcare, Sweden). Medium pressure liquid chromatography
(MPLC) was performed using Biotage SP1 equipment and columns packed
with RP-C₁₈ gel. Preparative high-performance liquid chromatography
(prep-HPLC) was performed using an Agilent 1260 liquid chromatography
system equipped with Zorbax SB-C18 columns (5 μm, 9.4 mm ×
150 mm, or 21.2 mm × 150 mm) and a diode array detector (DAD).
Fractions were monitored using the DAD detector or thin layer chromatography
(TLC) (GF 254, Qingdao Haiyang Chemical Co., Ltd., China).

Yang H.X., Ma J.T., He J., Li Z.H., Huang R., Feng T, & Liu J.K. (2021). Pardinumones A–D: Antibacterial Polyketide–Amino Acid Derivatives from the Mushroom Tricholoma pardinum. ACS Omega, 6(38), 25089-25095.

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Metabolomic Analysis of Stable Isotope Labeling in Cell Lines

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Synthesis and Characterization of Retinol Alkyl Esters

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The synthesis of RAME (7), RA ethyl ester (RAET, 8), RA butyl ester (RABU, 9), RA octyl ester (RAOCT, 10) and RA dodecyl ester (RADOD, 11) were carried out by esterification of RA (6) with corresponding alcohols (methanol, ethanol, n-butanol, n-octanol, n-dodecanol) respectively, as shown in Figure 2. 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide (EDC) and 4-dimethylamino-pyridine (DMAP) were used as catalysts, DMF was the solvent. The products were purified by liquid-liquid extraction and column chromatography. The structures of RA alkyl esters were confirmed by high-resolution MS data and NMR spectroscopic data. High-resolution MS data was recorded on a Q Exactive Orbitrap MS system at a resolution of 70,000 FWHM (Thermo scientific, Waltham, MA, United States). 1H NMR data was measured with a Bruker AVANCE 400 NMR spectrometer at 400 MHz (Bruker, Fallanden, Switzerland). Mass errors obtained from high-resolution MS data of these RA esters were all within 5 ppm (Supplementary Figure S2). 1H NMR data (Supplementary Figures S3–S7) obtained from methyl, ethyl, butyl, octyl and dodecyl RA esters was consistent with those previously reported (Hamada and Abdo, 2015 (link); Wicha et al., 2015 (link); Thammason et al., 2018 (link)).

Blažević T., Reznicek G., Ding L., Yang G., Haiss P., Heiss E.H., Dirsch V.M, & Liu R. (2021). Short Chain (≤C4) Esterification Increases Bioavailability of Rosmarinic Acid and Its Potency to Inhibit Vascular Smooth Muscle Cell Proliferation. Frontiers in Pharmacology, 11, 609756.

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Characterization of Natural Products

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IR spectra were obtained on a Shimadzu Fourier transform infrared spectrometer using KBr pellets. UV spectra were obtained by using a double beam spectrophotometer UH5300 (Hitachi High-Technologies, Tokyo, Japan). Optical rotations were measured on a Rudolph Autopol IV polarimeter (Hackettstown, NJ, USA). High resolution electrospray ionization mass spectra (HRESIMS) were recorded on an Agilent 6200 Q-TOF MS system or a Thermo Scientific Q Exactive Orbitrap MS system. Circular dichroism (CD) spectra were measured with an Applied Photophysics spectrometer (Chirascan, New Haven, CT, USA). NMR spectra were recorded with a Bruker Avance III 600 MHz spectrometer (Bruker, Karlsruhe, Germany). Sephadex LH-20 (GE Healthcare, Pittsburgh, PA, USA), Silica gel (200–300 mesh), and RP-18 gel (20–45 μM, FuJi) were used for column chromatography (CC). HPLC was performed on an Agilent 1260 liquid chromatography system equipped with Zorbax SB-C18 columns (5 μM, 9.4 mm × 150 mm, or 21.2 mm × 150 mm).

Dai Q., Zhang F.L., Li Z.H., He J, & Feng T. (2021). Immunosuppressive Sesquiterpenoids from the Edible Mushroom Craterellus odoratus. Journal of Fungi, 7(12), 1052.

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