1H NMR spectra were recorded on an Agilent DD2 600 MHz NMR spectrometer (Agilent Technologies, California, USA). Peptide concentrations were about 5.0 mM in CH3CN-d3. Chemical shifts were measured relative to internal tetramethylsilane at 0.00 ppm. The protons were assigned using two-dimensional correlated spectroscopy (2D-COSY) and rotating-frame Overhauser effect spectroscopy (ROESY; mixing time = 500 ms). VT-1H NMR measurements were made every 10 K from 273 K to 333 K. The assignment lists and 1D, 2D-COSY and ROESY spectra for Xb (X = 2–4) and Xc (X = 2–4) are given in ESI.
Agilent dd2 600 mhz
Manufactured by Agilent Technologies
Sourced in United States
The Agilent DD2 600 MHz is a nuclear magnetic resonance (NMR) spectrometer that operates at a frequency of 600 MHz. It is designed to perform high-resolution NMR analysis of samples. The core function of the Agilent DD2 600 MHz is to provide accurate and reliable measurements of chemical and physical properties of substances through the application of NMR technology.
Automatically generated - may contain errors
Lab products found in correlation
Mestrenova version 11, by Mestrelab Research (1 mentions)
Nmr suite, by Chenomx (1 mentions)
Anthracene, by Merck Group (1 mentions)
Cdcl3, by Merck Group (1 mentions)
Q exactive plus hybrid quadrupole orbitrap mass spectrometer, by Thermo Fisher Scientific (1 mentions)
Sephadex lh 20, by GE Healthcare (1 mentions)
P 2000 polarimeter, by Jasco (1 mentions)
Dionex ultimate 3000 rslcnano uhplc system, by Thermo Fisher Scientific (1 mentions)
Ft ir 4100 spectrometer, by Jasco (1 mentions)
Hplc pump l 7100, by Hitachi (1 mentions)
7 protocols using agilent dd2 600 mhz
1
NMR Spectroscopic Analysis of Peptides
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1H NMR spectra were recorded on an Agilent DD2 600 MHz NMR spectrometer (Agilent Technologies, California, USA). Peptide concentrations were about 5.0 mM in CH3CN-d3. Chemical shifts were measured relative to internal tetramethylsilane at 0.00 ppm. The protons were assigned using two-dimensional correlated spectroscopy (2D-COSY) and rotating-frame Overhauser effect spectroscopy (ROESY; mixing time = 500 ms). VT-1H NMR measurements were made every 10 K from 273 K to 333 K. The assignment lists and 1D, 2D-COSY and ROESY spectra for Xb (X = 2–4) and Xc (X = 2–4) are given in ESI.†
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1H NMR spectra were recorded on an Agilent DD2 600 MHz NMR spectrometer (Agilent Technologies, California, USA). Peptide concentrations were about 5.0 mM in CH3CN-d3. Chemical shifts were measured relative to internal tetramethylsilane at 0.00 ppm. The protons were assigned using two-dimensional correlated spectroscopy (2D-COSY) and rotating-frame Overhauser effect spectroscopy (ROESY; mixing time = 500 ms). VT-1H NMR measurements were made every 10 K from 273 K to 333 K. The assignment lists and 1D, 2D-COSY and ROESY spectra for Xb (X = 2–4) and Xc (X = 2–4) are given in ESI.
2
NMR Spectroscopy of Organic Compounds
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NMR spectra were recorded on Agilent DD2 600 MHz spectrometer (Agilent, Santa Clara, CA, USA) at 25 °C in CDCl3. Spectra were referenced to the solvent signals (1H: 7.260 ppm; 13C: 77.160 ppm) and were evaluated with MestReNova version 11.0 software (Mestrelab Research, Santiago de Compostela, Spain).
3
Metabolomic Profiling of Breast Cancer Cells
4
Characterization of Anthracene Compound
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All the chemicals, unless specifically indicated otherwise, were purchased from Merck KGaA (Darmstadt, Germany). Anthracene (97.0%) and CDCl3 (99.9%) were obtained from Sigma-Aldrich (St. Louis, MO, USA). With respect to analyses, 2D NMR were recorded on the Jeol ECZ600R/S1 600 MHz (Jeol, Tokyo, Japan) and Agilent DD2 600 MHz (Agilent, Santa Clara, CA, USA), and quantitative 1H-NMR analyses were performed on the Bruker AV-400 400 MHz (Bruker, Billerica, MA, USA) NMR spectrometers with tetramethylsilane as the internal standard. Chemical shifts are reported in parts per million (ppm, δ). High resolution electrospray ionization mass spectrometry (HR-ESI-MS) were examined on a JEOL JMS-700 spectrometer (Jeol, Tokyo, Japan) that the experimental data were afforded in the positive-ion mode.
5
NMR Characterization of Peptides
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1H NMR spectra were recorded on an Agilent DD2 600 MHz NMR spectrometer (Agilent Technologies, California, USA). Peptide concentrations were about 5.0 mM in CH3CN-d3. Chemical shifts were measured relative to internal trimethylsilane at 0.00 ppm. The protons were assigned using two dimensional correlated spectroscopy (2D-COSY) and rotating-frame Overhauser effect spectroscopy (ROESY; mixing time = 500 ms). The assignment lists and 1H NMR spectra for all peptides are given in ESI.†
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1H NMR spectra were recorded on an Agilent DD2 600 MHz NMR spectrometer (Agilent Technologies, California, USA). Peptide concentrations were about 5.0 mM in CH3CN-d3. Chemical shifts were measured relative to internal trimethylsilane at 0.00 ppm. The protons were assigned using two dimensional correlated spectroscopy (2D-COSY) and rotating-frame Overhauser effect spectroscopy (ROESY; mixing time = 500 ms). The assignment lists and 1H NMR spectra for all peptides are given in ESI.
6
Analytical Techniques for Natural Product Characterization
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1H, 13C, DEPT, and 2D NMR were acquired on Agilent DD2 600 MHz pectrometer (Agilent Technologies, Santa Clara, CA, USA). Optical rotation was measured with a JASCO P-2000 polarimeter (Tokyo, Japan). IR spectra were recorded on a JASCO FT/IR 4100 spectrometer (Tokyo, Japan). Sephadex LH-20 (GE Healthcare, Uppsala, Sweden) was used for open column chromatography. High-resolution mass spectrometry data was acquired using Q Exactive Plus Hybrid Quadrupole-Orbitrap Mass Spectrometer (Thermo Fisher Scientific, Bremen, Germany) coupled with the Dionex UltiMate™ 3000 RSLCnano UHPLC system (Thermo Fisher Scientific, San Jose, CA, USA). Semi-preparative HPLC experiments for compound purification were performed using HPLC pump L-7100 (Hitachi, Japan) with refractiveindex (Bischoff, Leonberg, Germany) for detector.
7
NMR Analysis of OTA Conjugates
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NMR experiments were carried out on an Agilent DD2 600 MHz spectrometer (Agilent Technologies) with samples dissolved in a mixture of d4-methanol/D2O/d2-formic acid (70/30/0.1, v/v/v) due to the poor solubility of the OTA conjugates. Chemical shifts δ are reported as parts per million (ppm) in relation to tetramethylsilane. Data processing was done using MestReNova software v. 10 (Mestrelab Research, Santiago de Compostela, Spain).
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