Thermo ltq orbitrap xl mass spectrometer

Manufactured by Thermo Fisher Scientific

Sourced in United States, Germany

The Thermo LTQ Orbitrap XL mass spectrometer is a high-resolution, high-mass accuracy mass spectrometry instrument. It combines a linear ion trap with an Orbitrap mass analyzer to provide accurate mass measurements and high-quality tandem mass spectrometry (MS/MS) data.

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Lab products found in correlation

Mercury 400 mhz nmr, by Agilent Technologies (4 mentions) Daltonics data analysis 3.4 mass spectrometer, by Bruker (3 mentions) Aviii 600 spectrometer, by Bruker (1 mentions) Combiflash rf 200, by Teledyne (1 mentions) Agilent sb c18 column, by Agilent Technologies (1 mentions) Acquity uplc hss t3 column, by Thermo Fisher Scientific (1 mentions) Acquity uplc system, by Waters Corporation (1 mentions) Human apoptosis array kit, by R&D Systems (1 mentions) Thermo ltq mass spectrometer, by Thermo Fisher Scientific (1 mentions) Ft ir nir spectrometer, by PerkinElmer (1 mentions) Autopol 4 automatic polarimeter, by Rudolph Research Analytical (1 mentions) Arx 600 spectrometer, by Bruker (1 mentions) J 815 spectropolarimeter, by Jasco (1 mentions) Silica gel, by Qingdao Marine Chemical (1 mentions) Toyopearl gel hw 40f, by Tosoh (1 mentions) Chirascan spectrometer, by Applied Photophysics (1 mentions) G1956b single quadrupole mass spectrometer, by Agilent Technologies (1 mentions) Luna c18 column, by Phenomenex (1 mentions) 600 mhz nmr, by Agilent Technologies (1 mentions) Sp 930 d, by Younglin (1 mentions)

12 protocols using thermo ltq orbitrap xl mass spectrometer

Peptide Identification by LC-MS/MS

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Digested peptide samples were analyzed using LC–MS/MS at the Nevada Proteomics Center (University of Nevada, Reno, NV, USA). The peptides were separated and analyzed using a Michrom Paradigm Multi-Dimensional Liquid Chromatography instrument (Michrom Bioresources Inc., Auburn, CA, USA) coupled with a Thermo LTQ Orbitrap XL mass spectrometer (Thermo Fisher Scientific, San Jose, CA, USA). Peptide samples were dissolved in 100 μL of 0.1% formic acid and loaded onto a ZORBAX 300SB-C₁₈ 5-μm (5×0.3 mm) trap column (Agilent Technologies, Santa Clara, CA, USA), eluted from the trap, and then separated with a reverse phase Michrom Magic C₁₈AQ column (3 μm, 200 Å, 0.2×150 mm) by a gradient elution using solvent A (0.1% formic acid) and solvent B (0.1% formic acid in ACN) at a flow rate of 2 μL min⁻¹. The gradient was set from 5 to 40% solvent B for 90 min, increased to 80% solvent B in 10 s and held at 80% solvent B for 1 min. MS spectra were recorded over the mass range of m/z 400–1600 with resolution of 60 000. The three most intense ions were isolated for fragmentation in the linear ion trap using CID with minimal signal of 500 and collision energy of 35.0 or using HCD with a minimal signal of 1000, collision energy of 55.0, and an activation time of 30 ms. Dynamic exclusion was implemented with two repeat counts, repeat duration of 15 s and exclusion duration of 90 s.

Rattanakan S., George I., Haynes P.A, & Cramer G.R. (2016). Relative quantification of phosphoproteomic changes in grapevine (Vitis vinifera L.) leaves in response to abscisic acid. Horticulture Research, 3, 16029-.

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Analytical Techniques for Compound Characterization

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High performance liquid chromatography (HPLC) analyses were conducted on an Agilent 1290 system with an Agilent-SBC18 column (4.6 × 250 mm, 5 μm). Thin Layer Chromatography (TLC) was carried out on silica gel GF254 plates from Qingdao marine chemical company, China. The medium pressure liquid chromatography was performed on Combi Flash Rf 200 (Teledyne Isco, Lincoln NE, USA) with a SEPAF FLASH^® Flash silica gel column (330 g, Santai Technologies, China). Nuclear Magnetic Resonance (NMR) data was acquired using Bruker AVIII-600 spectrometer (150 MHz for ¹³C NMR and 600 MHz for ¹H NMR, Bruker Corporation, Karlsruhe, Germany). High resolution electrospray ionization mass spectra (HRESIMS) were recorded on a Thermo LTQ Orbitrap XL Mass Spectrometer (Thermo Fisher Scientific, USA).

Zhang T., Cai G., Rong X., Xu J., Jiang B., Wang H., Li X., Wang L., Zhang R., He W, & Yu L. (2022). Mining and characterization of the PKS–NRPS hybrid for epicoccamide A: a mannosylated tetramate derivative from Epicoccum sp. CPCC 400996. Microbial Cell Factories, 21, 249.

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UPLC-MS Analysis of Metabolite Extract

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The sample extract destined for UPLC-MS analysis was dissolved in 400 μL of aqueous methanol (1:1). The mixture was filtered through a 0.22-μm membrane and detected with a Waters ACQUITY UPLC system (Waters, Milford, MA, USA) using an ACQUITY UPLC HSS T3 column (150 mm × 2.1 mm, 1.8 μm) and a Thermo LTQ-Orbitrap XL mass spectrometer (Thermo Fisher Scientific, Waltham, MA, USA) equipped with an electrospray ionization source.

Wen C., Mai C., Wang B., Li J., Sun C, & Yang N. (2020). Detrimental effects of excessive fatty acid secretion on female sperm storage in chickens. Journal of Animal Science and Biotechnology, 11, 26.

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Comprehensive NMR and MS Characterization of Organic Compounds

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All solvents and reagents were obtained from commercial sources and used without further purification, and the solvents used were dried by conventional methods. ¹H and ¹³C NMR spectra were recorded on a Mercury 400 MHz NMR, Varian, Palo Alto, CA, USA and 600 MHz NMR. (CDCl₃ and DMSO-d₆ were the solvent and TMS was the internal standard). MS spectra were measured on Bruker Daltonics Data Analysis 3.4 Mass Spectrometer, Bruker, Karlsruhe, Germany and Thermo LTQ Orbitrap-XL Mass Spectrometer (Thermo Scientific, Waltham, MA, USA). Analytic HPLC analysis was performed on a YOUNG LIN instrument with a C-18 column (5 μm, 4.6 × 150 mm), SP930D solvent delivery pump, UV730D UV/VIS dual absorbance detector. HPLC analysis showed that the purity of all the final products were more than 96%. The column was eluted with acetonitrile at a flow rate of 0.5 mL/min. HSGF 254 high-efficiency thin-layer chromatography silica gel plates were purchased from Huiyou Development Co., Yantai, Shangdong, China. Ltd. HSGF 254 thin-layer silica gel (300 mesh–400 mesh) was purchased from Ocean Chemical Plant (Qingdao, Shangdong, China). Human Apoptosis Array Kit (ARY009) was bought from R&D Systems, Inc. (Minneapolis, USA).

Jia J., Yin H., Chen C., Hu M., Zhong Q., Zheng S., Zhang W., Li H., Xu L., Wang G, & He L. (2022). Design, synthesis, and evaluation of a novel series of mono-indolylbenzoquinones derivatives for the potential treatment of breast cancer. European journal of medicinal chemistry, 237, 114375.

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Optimized Synthesis and Characterization

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All solvents and reagents were obtained from commercial sources unless otherwise mentioned, and the solvents used were dried by conventional methods. All reactions were performed under a nitrogen atmosphere. The ¹H and ¹³C NMR spectra were recorded on a Mercury 400 MHz NMR, Varian, Palo Alto, CA, USA and 600 MHz NMR. (CDCl₃ and DMSO-d₆ were the solvent and TMS was the internal standard). MS spectra were measured on Bruker Daltonics Data Analysis 3.4 Mass Spectrometer, Bruker, Karlsruhe, Germany and Thermo LTQ Orbitrap-XL Mass Spectrometer (Thermo Scientific, Waltham, MA, USA). A YRT-3 melting point instrument (Tianda Tianfa Company, Tianjin, China) was used for measuring melting points. HSGF 254 high-efficiency thin-layer chromatography silica gel plates were purchased from Huiyou Development Co., Yantai, Shangdong, China. Ltd. HSGF 254 thin-layer silica gel (300 mesh–400 mesh) was purchased from Ocean Chemical Plant (Qingdao, Shangdong, China).

Luo L., Jia J.J., Zhong Q., Zhong X., Zheng S., Wang G, & He L. (2020). Synthesis and anticancer activity evaluation of naphthalene-substituted triazole spirodienones. European journal of medicinal chemistry, 213, 113039.

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Characterization of Organic Compounds

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Optical rotations were recorded on an Autopol IV automatic polarimeter with a 10 cm glass microcell at 25 °C (Rudolph Research Analytical, NJ, USA). The CD spectra were measured on a JASCO J-815 spectropolarimeter using CH₃OH as the solvent at room temperature (Jasco Corporation, Tokyo, Japan). UV spectra were obtained in CH₃OH on a Persee TU-1901 UV-vis spectrometer (Beijing Purkinje General Instrument Co., Ltd, Beijing, China). IR spectra were acquired on a PerkinElmer FT-IR/NIR spectrometer (PerkinElmer, Waltham, MA, USA). 1D and 2D NMR spectra were performed at 600 MHz for ¹H NMR and 150 MHz for ¹³C NMR on Bruker ARX-600 spectrometer using solvent signals as the internal standard (Bruker, Switzerland). Chemical shifts (δ) are given in ppm, and coupling constants (J) are given in hertz (Hz). ESIMS data were recorded on a Thermo LTQ mass spectrometer (Thermo Fisher Scientific, Waltham, MA, USA). HRESIMS data were measured using a Thermo LTQ Orbitrap XL mass spectrometer (Thermo Fisher Scientific, Waltham, MA, USA). Column chromatography (CC) were carried out with silica gel (200–300 mesh, Qingdao Marine Chemical Inc. Qingdao, PR China). Analytical TLC was carried out on pre-coated silica gel GF₂₅₄ plates (Qingdao Marine Chemical Industry, Qingdao, China), and spots were visualized under UV light or by spraying with 10% H₂SO₄ in 90% EtOH followed by heating at 120 °C.

Gu G., Zhang T., Zhao J., Zhao W., Tang Y., Wang L., Cen S., Yu L, & Zhang D. (2022). New dimeric chromanone derivatives from the mutant strains of Penicillium oxalicum and their bioactivities. RSC Advances, 12(35), 22377-22384.

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Advanced Spectroscopic Analysis of Compounds

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Optical rotations were measured using a Perkin-Elmer model 343 polarimeter (Perkin-Elmer Inc., Waltham, MA, USA). UV and ECD spectra were recorded on an Applied Photophysics Chirascan spectrometer (Applied Photophysics Ltd., Surrey, UK). IR spectra were measured using a Nicolet 5700 FT-IR microscope spectrometer (FT-IR microscope transmission) (Thermo Electron Corp., Madison, WI, USA). NMR spectra were acquired on a AVANCE III HD 600 MHz spectrometers (Bruker Corp., Karlsruhe, Germany) in CDCl₃ with tetramethylsilane as an internal reference. ESIMS data were obtained using an Agilent 1100 LC/MSD with a G1956B single quadrupole mass spectrometer (Agilent Technologies, Ltd., Santa Clara, CA, USA). HRESIMS data were recorded using a Thermo LTQ Orbitrap XL mass spectrometer (Thermo Fisher Scientific, Waltham, MA, USA). Flash chromatography was performed on an Ez Purifier (Suzhou Lisure Science Co., Ltd., Suzhou, China). Column chromatography was carried out using silica gel (Qingdao Marine Chemical Inc, Qingdao, China) and Toyopearl gel HW-40F (Tosoh Co., Tokyo, Japan). HPLC separation was performed with a Shimadzu LC-20AP binary pump (Shimadzu Co., Kyoto, Japan) equipped with an SPD-M20A diode array detector using a Shiseido Capcell C18 MGII preparative (20 mm × 250 mm) or semi-preparative (10 mm × 250 mm) column.

Li J., Wang Y., Hao X., Li S., Jia J., Guan Y., Peng Z., Bi H., Xiao C., Cen S, & Gan M. (2019). Broad-Spectrum Antiviral Natural Products from the Marine-Derived Penicillium sp. IMB17-046. Molecules, 24(15), 2821.

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Chymotryptic Peptide Analysis by Nano-LC-MS/MS

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An Eksigent 2D nanoLC system (Eksigent Technilogies, Dublin CA) and a Thermo LTQ Orbitrap XL mass spectrometer (Thermo Fisher Scientific, Waltham, MA) were used for LC-MS/MS analysis of the chymotryptic peptides. The parameters were modified from those described previously^{50 (link)}. Briefly, the peptides were loaded onto a trap column (Acclaim PepMap100, 100 μm × 2 cm, C18, 5 μm, 100 Å, Thermo Scientific Dionex) at a flow rate of 4.5 μL/min with 0.1% formic acid in water. Subsequently, the peptides were separated on a reversed-phase column (0.0075 mm × 180 mm) packed in house using Michrom Magic C18 material (5 μm particle size and 200 Å pore size). An LC gradient of solvent B (0.1% formic acid in acetonitrile) was delivered at a flow rate of 260 nL/min for 0–10% in 5 min and 10–40% in 95 min. Mass spectra (m/z range 350–2000) of the eluted peptides were acquired at high mass resolving power (50,000 for ions of m/z 400). The seven most abundant ions were selected for fragmentation by collision-induced dissociation in the linear ion trap without charge state rejection.

Shen G., Cui W., Zhang H., Zhou F., Huang W., Liu Q., Yang Y., Li S., Bowman G.R., Sadler J.E., Gross M.L, & Li W. (2016). Warfarin traps human vitamin K epoxide reductase in an intermediate state during electron transfer. Nature structural & molecular biology, 24(1), 69-76.

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Advanced NMR and Mass Spectrometry Analysis

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One-dimensional (¹H,¹³C) and two-dimensional (¹H-¹H and ¹³C-¹H HMBC, HMQC, and COSY) NMR spectra were recorded on a Bruker AVIII 700 MHz NMR spectrometer in deuterated dimethyl sulfoxide (Cambridge Isotope Laboratories). High-resolution MS spectra were collected on a Thermo LTQ OrbiTrap XL mass spectrometer (ThermoFisher Scientific, USA) with an electrospray ionization source (ESI). LCMS data were collected using a Bruker AmazonX ion trap mass spectrometer coupled with a Dionex UltiMate 3000 HPLC system, using a Luna C₁₈ column (250 mm × 4.6 mm, Phenomenex) for analytical separations, running acetonitrile and ddH₂O with 0.1% formic acid as the mobile phase.

Johnston C.W., Plumb J., Li X., Grinstein S, & Magarvey N.A. (2016). Informatic analysis reveals Legionella as a source of novel natural products. Synthetic and Systems Biotechnology, 1(2), 130-136.

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Characterization of 1-oxa-4-azaspiro[4.5] Deca-6,9-diene-3,8-dione Derivatives

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NMR spectra were recorded on a Mercury 400 MHz NMR, Varian, Palo Alto, CA, USA and an 600 MHz NMR, Agilent Technologies Inc. Palo Alto, California, USA(CDCl3 was the solvent and TMS was the internal standard). MS spectra were measured on Bruker Daltonics Data Analysis 3.4 Mass Spectrometer, Bruker, Karlsruhe, Germany and Thermo LTQ Orbitrap-XL Mass Spectrometer (Thermo Scientific, Waltham, MA, USA). A YRT-3 melting point instrument (Tianda Tianfa Company, Tianjin, China) was used for measuring melting points, where the measured temperature was uncorrected. HSGF 254 high-efficiency thin-layer chromatography silica gel plates were purchased from Huiyou Development Co., Yantai, Shangdong, China. Ltd. HSGF 254 thin-layer silica gel (300 mesh ~ 400 mesh) was purchased from Ocean Chemical Plant (Qingdao, Shangdong, China). The reagents used were analytically pure unless otherwise specified, and the solvents used were dried by conventional methods. (NMR spectra (1H and 13C) of all 17 1-oxa-4-azaspiro[4.5] deca-6,9-diene-3,8-dione derivatives are provided in Supplementary Materials).

Yang Z., Zhong Q., Zheng S., Wang G, & He L. (2019). Synthesis and Antitumor Activity of a Series of Novel 1-Oxa-4-azaspiro[4,5]deca-6,9-diene-3,8-dione Derivatives. Molecules, 24(5), 936.

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