被引量: 9发表: 1973年 Separation and characteristic analysis of steam-exploded lignin from cornstalk residue SEL was analyzed with respect to the elementary composition, molecular weight, IR spectrum, and 13 C NMR spectra. The C 9 -formula of SEL was ... YP Chen,XS Cheng - 《Chemistry of...
Calculate the molecular mass, elemental composition, and mass distribution of a molecule from its chemical formula: >>>frommolmassimportFormula>>>f=Formula('C8H10N4O2')# Caffeine>>>fFormula('C8H10N4O2')>>>f.formula# hill notation'C8H10N4O2'>>>f.empirical'C4H5N2O'>>>f.mass# average...
where F is the atomic force, r is the atom co-ordinate vector, and m is the atom mass. Given the large number of molecules, the workload is too large for analytical algorithms. Therefore, when studying atom velocities and co-ordinates, the finite difference method is usually employed to ...
Molecular networking was performed as follows: precursor and fragment ion mass tolerance 0.05 Da, minimum cosine score of 0.7, minimum matched fragment ions of 6. Molecular class annotations were generated through the Qemistree workflow on GNPS which utilized the programs Sirius and ClassyFire [...
oligonucleotide ligation and invasive cleavage based on the molecular mechanisms (Sobrino et al., 2005), and different detection methods to analyze the products of each type of allelic discrimination reaction, such as gel electrophoresis, mass spectrophotometry, chromatography, fluorescence polarization, arr...
Properties Computed from Structure:Molecular Weight358.429763 [g/mol]Molecular FormulaC19H19FN2O2SXLogP5.2H-Bond Donor0H-Bond Acceptor4Rotatable Bond Count4Exact Mass358.115127MonoIsotopic Mass358.115127Topological Polar Surface Area41.9Heavy Atom Count25Formal Charge0Complexity506Isotope Atom Count0Defined Atom...
Chapter 3/9 Chapter 3/9 Chemical Reactions and Chemical Reactions and Quantities Quantities The Mole The Mole Calculations Using Molar Mass Calculations Using Molar Mass MOLE CONCEPT So far we were in the microscopic world of atoms and molecules. But it is very important that chemists be able ...
. MAE was calculated using the following formula: 1/n * ∑|pMICobserved − pMICpredicted| with n being the number of external validation objects. If MAE is up to 10% of the training set range, then it is considered as a good prediction whereas if it is more than 15% it is ...
分子摩尔质量Mass分子质量massmoles摩尔质量Moles 系统标签: molesformulamolecularmoleamu摩尔 MolecularMass,FormulaMass&Moles©2005-DouglasGillilandThePhysicalScienceSeries1MenuAtomicMassMolecularMassFormulaMassMolesMoleConversions2AtomicMassmenu3AtomicMassofanAtomTheatomicmassisthemassofanatomofanelement.ItismeasuredinAtomi...
Yinzhihuang granules (YZHG) is a commonly used Chinese patent medicine for the treatment of liver disease. However, the mechanism of YZHG in alcoholic liver disease (ALD) is still unclear. This study combined liquid chromatography-mass spectrometry techn