Lcms it tof mass spectrometer

Manufactured by Shimadzu

Sourced in Japan, United States

The LCMS-IT-TOF mass spectrometer is a high-performance analytical instrument designed for accurate mass determination and structural identification of chemical compounds. It combines liquid chromatography (LC) and time-of-flight (TOF) mass spectrometry technology, providing precise mass measurements and high-resolution data acquisition.

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Lab products found in correlation

Silica gel, by Qingdao Haiyang Chemical (5 mentions) Sephadex lh 20, by GE Healthcare (4 mentions) Avance 3 400 mhz spectrometer, by Bruker (3 mentions) Avance 3, by Bruker (3 mentions) Nexera uhplc system, by Shimadzu (3 mentions) Nicolet 6700 ft ir, by Thermo Fisher Scientific (3 mentions) Uv 1601 spectrophotometer, by Shimadzu (2 mentions) Fluoromax 4 nir spectrometer, by Horiba (2 mentions) P 1020 polarimeter, by Jasco (2 mentions) J 820 spectropolarimeter, by Jasco (2 mentions) Silica gel 60 f254, by Merck Group (2 mentions) Rp 18 f254, by Merck Group (2 mentions) Silica gel, by Qingdao Marine Chemical (2 mentions) Dpx 400 spectrometer, by Bruker (2 mentions) Drx 500, by Bruker (2 mentions) Avance 3 600, by Bruker (2 mentions) Formula predictor software, by Shimadzu (2 mentions) L 2130 pump, by Hitachi (2 mentions) Uv 2401 pc spectrophotometer, by Shimadzu (2 mentions) Prominence hplc, by Shimadzu (2 mentions)

Close spelling variants of this product

LCMS-IT-TOF (133 citations) LCMS-IT-TOF spectrometer (14 citations) IT-TOF (14 citations) IT-TOF mass spectrometer (9 citations) Spectrometers (2 citations) LCMS-IT-TOF high resolution mass spectrometer (2 citations)

63 protocols using lcms it tof mass spectrometer

Synthesis and Characterization of Cyanine Dyes

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HEPES,
decylubiquinone (dQ), potassium ferrocyanide,
FcMeOH, LDAO, Cytochrome c from horse heart (Cyt c³⁺, i.e., in the oxidized state), and methanol
were purchased from Sigma. l-Ascorbic acid sodium salt was
purchased from Thermo Fisher Scientific. All reagents and solvents
for the synthesis of hCy2 and hCy2-NHS were purchased from Sigma-Aldrich.
Dye847 (847 refers to its maximum absorption in methanol) was from
Crysta-Lyn Chemical Company (Binghamton, NY, USA). All aqueous solutions
were prepared using water purified by the Milli-Q Gradient A-10 system
(Millipore, 18.2 MΩ cm, organic carbon content ≤ 4 μg/L).
Pre-coated thin-layer chromatography (TLC)-plates RP-18/UV254 by Macherey-Nagel
Gmbh & Co with silica gel C-18 layer of 0.15 and 0.25 mm were
used for analytical and preparative TLC, respectively. CombiFlash
Rf⁺ chromatograph equipped with a 50 g gold reverse phase
C-18 column was used for purification of cyanine molecules. High-resolution
mass spectra were recorded by a Shimadzu high-performance liquid chromatography-ion
trap-time of flight mass spectrometer (LCMS-IT-TOF). ¹H
NMR and ¹³C NMR spectra were recorded at 500 and 125 MHz,
respectively, using an Agilent Technologies 500/54 Premium Shielded
spectrometer.

Buscemi G., Trotta M., Vona D., Farinola G.M., Milano F, & Ragni R. (2023). Supramolecular Biohybrid Construct for Photoconversion Based on a Bacterial Reaction Center Covalently Bound to Cytochrome c by an Organic Light Harvesting Bridge. Bioconjugate Chemistry, 34(4), 629-637.

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Nucleotide Purification and Characterization

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Purification by chromatography was performed using the following: Column: X-AMIDE, 10 × 250 mm; Phase A: 0.2% acetic acid; Phase B: acetonitrile; Flow rate: 4 mL/min; UV detection wavelength: 260 nm; Sample loading: 1 mL (1 mg/mL); Elution conditions: 5% A to 23% A for 15 min; 23% A to 26% A for 5 min; 26% A to 29% A for 5 min; 29% A to 32% A for 5 min; A, 5 min; and 35% A ~ 40% A, 5 min. The separated products were concentrated in an ultra-low temperature dryer and dissolved in water. The nucleotide molecular weights were identified using a Shimadzu mass spectrometer (LCMS-IT-TOF). The MS liquid phase conditions were as follows: Column: ACQUITY UPLC BEH (2.1 × 100 mm, 1.7 µm); UV detection wavelength: 260 nm; Flow rate: 0.3 mL/min; Phase A: 0.1% formic acid; B phase: acetonitrile; Column temperature: 40 °C; Elution conditions: 2% acetonitrile isocratic elution 10 min; and load sample: 1 µL.

Chen Y., Wu Y., Liu L., Feng J., Zhang T., Qin S., Zhao X., Wang C., Li D., Han W., Shao M., Zhao P., Xue J., Liu X., Li H., Zhao E., Zhao W., Guo X., Jin Y., Cao Y., Cui L., Zhou Z., Xia Q., Rao Z, & Zhang Y. (2019). Study of the whole genome, methylome and transcriptome of Cordyceps militaris. Scientific Reports, 9, 898.

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Characterization of Photosensitive Compound

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The ¹H-NMR (400 MHz) and ¹³C-NMR (101 MHz) spectra were obtained on an Avance III 400 MHz spectrometer (Bruker, Karlsruhe, Germany) in CDCl₃. The progress of the reaction was checked by analytical thin-layer chromatography (TLC). The mass spectra were measured using an LCMS-IT-TOF mass spectrometer (Shimadzu, kyoto, Japan). Photoluminescence (PL) spectra and absolute PL quantum yields were obtained via an FLS920 spectrophotometer (Edinburgh Instruments, Edinburgh, UK). Ultraviolet (UV) absorption spectra were obtained using a UV-2600 spectrometer (Shimadzu, Kyoto, Japan). Scanning electron microscope (SEM) images were obtained using a Zeiss Merlin emission scanning electron microscope (Zeiss Co., Oberkochen, Germany). Brightfield pictures were taken with a fluorescence microscope (EVOS fl AMG; Westover Scientific, Bothell, WA, USA). Fluorescent images were examined on an OLYMPUS FV3000 laser scanning confocal microscope (Zeiss Co., Oberkochen, Germany), and cell viabilities were analyzed using a Flex Station 3 microplate reader (Molecular Devices, Silicon Valley, San Jose, CA, USA).

Wu Y., He Y., Luo H., Jin T, & He F. (2023). AIEE-Active Flavones as a Promising Tool for the Real-Time Tracking of Uptake and Distribution in Live Zebrafish. International Journal of Molecular Sciences, 24(12), 10183.

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Synthesis and Characterization of Pyrimidopyrimidine Derivatives

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Reagents and materials were commercially available (Bide Pharmatech Ltd., Shanghai, China; Energy Chemical, Shanghai, China; Sigma-Aldrich, St. Louis, MO, USA; Aladdin, Shanghai, China etc.) and used directly without further purification. The NMR spectra of intermediates and target compounds were recorded on a Bruker Avance III (¹H NMR: 400 MHz, ¹³C NMR: 101 MHz) or Bruker Ascend TM (¹H-NMR: 500 MHz, ¹³C-NMR, 126 MHz). The high-resolution mass spectra of pyrimidopyrimidine derivatives were analyzed using a Shimadzu LCMS-IT-TOF mass spectrometer.

Huang M.X., Chen Y.Q., Liu R.D., Huang Y, & Zhang C. (2022). Discovery of Dipyridamole Analogues with Enhanced Metabolic Stability for the Treatment of Idiopathic Pulmonary Fibrosis. Molecules, 27(11), 3452.

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Peptide Characterization by LC-MS/MS

Cited 1 time

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Peptides were dissolved in Optima^® LC/MS water (Fisher Chemical, Waltham, MA, USA) at a concentration of 1 mg/mL. Peptide solutions were infused at a flow rate of 10 µL min⁻¹ through the electrospray ionization source of a LCMS IT-TOF mass spectrometer (Shimadzu Scientific Instruments, Columbia, MD, USA). The CDL and heat block were set at 200 °C. Nebulization gas was set to 1.0 L min⁻¹, and drying gas was set to “on”. Accurate mass spectra were collected in the positive ionization mode from m/z 200 to 2000. Tandem mass spectra were acquired using ultra-pure argon (Airgas, Alexandra, VA, USA) as the collision gas at an arbitrary collision energy setting of 40% and an arbitrary flow rate of 50%. The precursor ion accumulation time in the ion trap was set at 10 ms. Raw data files were processed in LCMSSolution software version 3.7 (Shimadzu Scientific Instruments, Columbia, MD, USA) and, when necessary, converted to the mzXML format using the LCMS Solution convert tool. Peak picking and theoretical product ion m/z generation were performed in mMass v5.5 [41 (link)].

Haq S., Oyler B.L., Williams E., Khan M.M., Goodlett D.R., Bachvaroff T, & Place A.R. (2023). Investigating A Multi-Domain Polyketide Synthase in Amphidinium carterae. Marine Drugs, 21(8), 425.

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Spectroscopic Characterization of Compounds

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¹H NMR (500 MHz) spectra were recorded in CDCl₃ or DMSO on a Bruker Avance spectrometer using tetramethylsilane (TMS) as an internal standard. Electrospray ionization (ESI) mass spectra (electron ionization (EI), 70 eV) were recorded on an Agilent 6330 ion trap LC/MS system. HRESI‐MS spectra were recorded using a Shimadzu LCMS‐IT‐TOF mass spectrometer. Thin‐layer chromatography (TLC) was performed on an aluminium plate precoated with silica gel and a fluorescence indicator (Merck, Darmstadt, Germany). The compounds were detected on the TLC plates using UV light (254 nm). All other reagents and chemicals were obtained from commercial sources and used as received unless otherwise stated.

Zhao S., Huang J., Sun X., Huang X., Fu S., Yang L., Liu X., He F, & Deng Y. (2018). (1‐aryloxy‐2‐hydroxypropyl)‐phenylpiperazine derivatives suppress Candida albicans virulence by interfering with morphological transition. Microbial Biotechnology, 11(6), 1080-1089.

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Synthesis and Characterization of Novel Compounds

Cited 1 time

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All chemical reagents for synthesis were purchased from local commercial suppliers and were used without further purification unless otherwise indicated. The key intermediates 9 and 30 were prepared in our lab according to the reported method^{[76 (link),79 (link)]}. Chemical reaction courses were monitored by silica gel GF₂₅₄ thin layer chromatography. Melting points were determined in open capillary tubes on a MPA100 Optimelt Automated Melting Point System without being corrected. Nuclear magnetic resonance spectra were recorded on a Bruker AVANCE III 400 MHz or 500 MHz spectrometer using tetramethylsilane as an internal reference. The high-resolution mass spectra (HRMS) were analyzed on a SHIMADZU LCMS-IT-TOF mass spectrometer. All compounds tested for biological activities were analyzed by HPLC and their purities were more than 95%. The analysis condition is: detection at 220 nm, 1.0 mL/min flowrate, a linear gradient of 50%−15% PBS buffer (pH = 3) and 50%−85% MeOH in 30 min.

, & Bear M.F. (1999). Homosynaptic long-term depression: A mechanism for memory?. Proceedings of the National Academy of Sciences of the United States of America, 96(17), 9457-9458.

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LCMS-IT-TOF Mass Spectrometry Analysis

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All of the MSⁿ experiments were performed on the LCMS-IT-TOF mass spectrometer (Shimadzu, Kyoto, Japan). Accurate masses were calibrated using sodium trifluoroacetate (CF₃CO₂Na) clusters. MS experiments were performed in automatic pattern, and MSⁿ experiments were achieved in direct mode. The MS parameters are in accordance with the previous report [18 (link)].

Zhang C.C., Geng C.A, & Chen J.J. (2019). A Fragmentation Study on Four Oligostilbenes by Electrospray Tandem Mass Spectrometry. Natural Products and Bioprospecting, 9(4), 279-286.

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Spectroscopic Analysis of Chemical Compounds

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¹H NMR and ¹³C NMR spectra were both performed on a Bruker at 400 MHz using TMS as an internal standard (DMSO-d₆ as the solvents). Infrared spectra were obtained on a Nicolete 5700 FT-IR spectrophotometer. Mass spectra were carried on with a Shimadzu LCMS-IT/TOF mass spectrometer. UV-Vis absorption spectra were studied on a Shimadzu UV-1601 spectrophotometer. Fluorescence spectrum was operated on a HORIBA FLUOROMAX-4-NIR spectrometer. Biological imaging was performed on a LEICA DM 2500. All reagents used were of analytical grade.

Zhang J., Chen M.Y., Bai C.B., Qiao R., Wei B., Zhang L., Li R.Q, & Qu C.Q. (2020). A Coumarin-Based Fluorescent Probe for Ratiometric Detection of Cu2+ and Its Application in Bioimaging. Frontiers in Chemistry, 8, 800.

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Spectroscopic Characterization of Organic Compounds

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All the reagents were purchased from commercial suppliers (Aldrich®, Shanghai, China; BIDE®, Shanghai, China; or Innochem® Beijing, China), which are used directly without further purification. Chemical HG/T2354-92 silica gel (200–300 mesh, Haiyang®, Qingdao, China) was used for chromatography. ¹H NMR and ¹³C NMR spectra were recorded at room temperature on a Bruker AVANCE III 400 and 500 instrument (Bruker®, Zürich, Switzerland) with tetramethylsilane (TMS) as an internal standard. The following abbreviations are used: s (singlet), d (doublet), dd (two doublets), t (triplet), q (quartet), and m (multiplet). Coupling constants were reported in Hz. High-resolution mass spectra were recorded on a Shimadzu LC‒MS−IT-TOF mass spectrometer (Shimadzu®, Kyoto, Japan). The accurate number of HCl in the molecular structure of 14·3HCl was deduced by an ion chromatography (IC) method with the aid of Dionex ICS-900 (Thermo Fisher Scientific®, Sunnyvale, USA). The purity of compounds was determined by reverse-phase high-performance liquid chromatography (HPLC) analysis confirming to be over 95%. HPLC instrument: Shimadzu LC-20AT (Shimadzu®, column: Hypersil BDS C18, 5.0 μm, 150 mm × 4.6 mm (elite); detector: SPD-20A UV–Vis detector, UV detection at 254 nm; elution, methanol/H₂O (100%–90%, v/v); column temperature: 25 °C; and flow rate = 0.8–1.0 mL/min.

Yang Y., Zhang S., Zhou Q., Zhang C., Gao Y., Wang H., Li Z., Wu D., Wu Y., Huang Y.Y., Guo L, & Luo H.B. (2020). Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharmaceutica Sinica. B, 10(12), 2339-2347.

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