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Fticr ms spectrometer

Manufactured by Bruker
Sourced in China

The FTICR-MS spectrometer is a high-resolution mass spectrometry instrument that uses Fourier-transform ion cyclotron resonance technology to accurately measure the mass-to-charge ratio of ionized particles. It provides precise and sensitive analysis of complex molecular samples.

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6 protocols using fticr ms spectrometer

1

Synthesis and Characterization of Novel Compounds

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All the reagents were of analytical grade and used without further purification. Melting points were determined on a Beijing Taike melting point apparatus (X-4) (Taike, Beijing, China) and were uncorrected. IR spectra were obtained on a Bruker ALPHA-T spectrometer (BRUKER Inc., Beijing, China). 1H NMR and 13C NMR spectra were recorded on a Bruker AV400 spectrometer (BRUKER Inc., Beijing, China) with CDCl3 (Energy Chemical., Shanghai, China) as the solvent and TMS (Energy Chemical., Shanghai, China) as the internal standard. HRMS spectra were recorded on an FTICR-MS spectrometer (BRUKER Inc.). X-ray diffraction data were recorded on a BRUKER D8 VENTURE X-diffractometer (BRUKER Inc.) with Mo Kα radiation (λ = 0.71073 Å) at 273(2) K.
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2

Fomesafen Synthesis and Characterization

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Maize seeds (Dongnong 259) were provided by Northeast Agricultural University college of agriculture. Fomesafen was provided by Jiangsu Fengshan Group Co., Ltd., the active ingredient content of 15% (m/m). The tested soil was Mollisols-cryolls clay loam type and collected from the Northeast Agricultural University Horticulture Station with a pH of 7.37. All the chemical reagents (Energy Chemical, Aladdin, China) were commercially available and used without further purification. Solvents were dried using standard methods. Thin-layer silica gel chromatography (TLC) (Qingdao Haiyang Chemical Co., Ltd., Qingdao, China) was used for analysis. The 1H-NMR and 13C-NMR spectra were recorded on a Bruker AV-300 spectrometer (Bruker Inc., Beijing, China) in CDCl3, internal standard TMS. High-resolution mass spectrometry (HRMS) data were recorded on a FTICR-MS spectrometer (Bruker Inc., Beijing, China). Melting points were measured on a X-4 equipment (Beijing Taike Inc., Beijing, China) and were uncorrected. X-ray diffraction data were collected on a D8 VENTURE X-diffractometer (Bruker Inc., Beijing, China).
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3

NMR and Mass Spectrometry Characterization

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All chemicals were purchased from Novabiochem, ChemImpex International, and RSP and were used as received. 1H NMR and 13C NMR spectra were recorded on a Bruker Advance-400 and Bruker DRX-600 spectrometers equipped with 5-mm Narolac triple-resonance single z-axis gradient probe at 25 °C with XWin NMR. Chemical shifts were reported as ppm relative to tetramethylsilane (TMS: δ=0.00). Coupling constants (J) were reported in hertz. Spectra were processed with MestreNova and MestreC. Mass spectra were taken in the positive ion mode under ESI methods. HRMS were carried out on the 9.4 T Bruker FT-ICR-MS spectrometer in CH3OH/CH3CN (v/v=1/1). For HRMS analyses of compounds containing chlorine atom, a lighter isotope was measured. The purities of compounds were determined by RP-HPLC and TLC on silica gel plates (Analtech 02521) using the eluents, i) CHCl3/CH3OH/AcOH = 90/10/3, ii) EtOAc/n-BuOH/H2O/AcOH = 5/3/1/1, iii) n-BuOH/H2O/AcOH = 4/1/1.
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4

Characterization of Organic Compounds

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All chemicals were purchased from Novabiochem, ChemImpex International, and RSP and were used as received. 1H NMR and 13C spectra were recorded on a Bruker Advance-400 and Bruker DRX-600 spectrometer equipped with 5-mm Narolac triple-resonance single z-axis gradient probe at 25 °C with XW in NMR. All NMR chemical shifts are reported as ppm relative to tetramethylsilane (TMS: δ=0.00). Coupling constants (J) are reported in hertz. Spectra were processed with Mestre Nova and Mestre C softwares. Mass spectra were taken in the positive ion mode under ESI methods. High resolution mass spectra were obtained on the 9.4 T Bruker FT-ICR-MS spectrometer in CH3OH: CH3CN (1: 1). The purity of compounds was determined by HPLC and TLC on silica gel plates (Analtech 02521), solvent system EtOAc: hexane (8: 2) and CH2Cl2: MeOH: AcOH(9: 1: 0.1).
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5

Spectroscopic Characterization of Compounds

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All the reagents were analytical grade, and were used without further purification. The IR spectra were recorded on a Bruker ALPHA-T spectrometer (BRUKER Inc., Beijing, China). The 1H-NMR and 13C-NMR spectra were recorded on a Bruker AVANVE 300 MHz (BRUKER Inc., Beijing, China) using CDCl3 (Energy Chemical., Shanghai, China) or DMSO-d6 (Energy Chemical., Shanghai, China) as solvent and TMS (Energy Chemical., Shanghai, China) as internal standard. The melting point was measured on a Beijing Taike melting point apparatus (X-4) (Beijing, China), and was uncorrected. The high-resolution mass spectrometry was recorded on a FT-ICR MS spectrometer (BRUKER Inc., Beijing, China). The spectrogram datas of compounds could be found in the Supplementary Materials.
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6

Characterization of Organic Compounds

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The melting points of target compounds were measured using a Beijing Taike melting point apparatus (X-4) (Beijing Tech Instrument Co. Ltd., Beijing, China) and were uncorrected. Infrared (IR) spectra were recorded on a Bruker ALPHA-T spectrometer (BRUKER Inc., Beijing, China) using KBr disks. 1H and 13C-NMR nuclear magnetic resonance (NMR) spectra were obtained using a Bruker AV-400 spectrometer (BRUKER Inc., Beijing, China) in CDCl3 solution with tetramethylsilane as the internal standard. The high-resolution mass spectrometry (HRMS) was recorded on micrOTOF-Q II 10410 spectrometer of Bruker (BRUKER Inc., Beijing, China) and FT-ICR MS spectrometer of Bruker (BRUKER Inc., Beijing, China). The single-crystal diffraction experiment was carried out on a Rigaku R-AXIS RAPID area-detector diffractometer (Rigaku Company, Tokyo, Japan). All solvents and reagents were of analytical reagent grade. Column chromatography purification was carried out on silica gel.
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