基于分子式数据库策略的 FM-searcher 软件 在危害物非目标筛查分子式预测中的应用.
- Published in:
- Journal of Chinese Mass Spectrometry Society, 2020, v. 41, n. 5, p. 453, doi. 10.7538/zpxb.2019.0038
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- Article
Works matching Molecular Formula
Results: 1568
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AN UNIFIED FORMULA FOR DERIVING THE MOLECULAR COMPOSITION OF HYDROCARBONS.
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- Technical Transactions / Czasopismo Techniczne, 2017, v. 3, p. 41, doi. 10.4467/2353737XCT.17.030.6341
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- Publication type:
- Article
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Automation of chemical assignment for identifying molecular formula of S-containing metabolites by combining metabolomics and chemoinformatics with S labeling.
- Published in:
- Metabolomics, 2016, v. 12, n. 11, p. 1, doi. 10.1007/s11306-016-1115-5
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- Publication type:
- Article
4
Simultaneous molecular formula determinations of natural compounds in a plant extract using 15 T Fourier transform ion cyclotron resonance mass spectrometry.
- Published in:
- Plant Methods, 2013, v. 9, n. 1, p. 1, doi. 10.1186/1746-4811-9-15
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- Publication type:
- Article
5
Simultaneous molecular formula determinations of natural compounds in a plant extract using 15 T Fourier transform ion cyclotron resonance mass spectrometry.
- Published in:
- Plant Methods, 2013, v. 9, n. 1, p. 1, doi. 10.1186/1746-4811-9-15
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- Publication type:
- Article
6
Determining the Molecular Formula of [Fe(acac)<sub>3</sub>] (acacH = acetylacetone): A Simple Analytical Chemistry Experiment for High School Students.
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- Resonance: Journal of Science Education, 2022, v. 27, n. 9, p. 1625, doi. 10.1007/s12045-022-1453-8
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- Article
7
Determination of Molecular Formula of Potassium Tris(oxalato)ferrate(III) Trihydrate.
- Published in:
- 2022
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- Publication type:
- Announcement
8
Evaluation of the current methods for assigning molecular formulas to dissolved organic matter using high resolution mass spectrometry.
- Published in:
- Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-87539-x
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- Publication type:
- Article
9
PYTHON PROGRAM FOR STRUCTURE AND MOLECULAR FORMULA OF ORGANIC COMPOUNDS: AN ALTERNATIVE THEORETICAL APPROACH.
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- Rasayan Journal of Chemistry, 2024, v. 17, n. 4, p. 1460, doi. 10.31788/RJC.2024.1748848
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- Publication type:
- Article
10
Influence of heteroatom pre-selection on the molecular formula assignment of soil organic matter components determined by ultrahigh resolution mass spectrometry.
- Published in:
- Analytical & Bioanalytical Chemistry, 2013, v. 405, n. 10, p. 3299, doi. 10.1007/s00216-013-6734-3
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- Publication type:
- Article
11
Automatic Assignment of Molecular Ion Species to Elemental Formulas in Gas Chromatography/Methane Chemical Ionization Accurate Mass Spectrometry.
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- Metabolites (2218-1989), 2023, v. 13, n. 8, p. 962, doi. 10.3390/metabo13080962
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- Publication type:
- Article
12
Deriving Lipid Classification Based on Molecular Formulas.
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- Metabolites (2218-1989), 2020, v. 10, n. 3, p. 122, doi. 10.3390/metabo10030122
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- Publication type:
- Article
13
Atmospheric organic matter in clouds: exact masses and molecular formula identification using ultrahigh-resolution FT-ICR mass spectrometry.
- Published in:
- Atmospheric Chemistry & Physics, 2013, v. 13, n. 24, p. 12343, doi. 10.5194/acp-13-12343-2013
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- Publication type:
- Article
14
Prediction of Molecular Mechanisms for LianXia NingXin Formula: A Network Pharmacology Study.
- Published in:
- Frontiers in Physiology, 2018, p. 1, doi. 10.3389/fphys.2018.00489
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- Publication type:
- Article
15
A proposed approach to defining per‐ and polyfluoroalkyl substances (PFAS) based on molecular structure and formula.
- Published in:
- Integrated Environmental Assessment & Management, 2023, v. 19, n. 5, p. 1333, doi. 10.1002/ieam.4735
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- Publication type:
- Article
16
Molecular formula assignment for dissolved organic matter (DOM) using high-field FT-ICR-MS: chemical perspective and validation of sulphur-rich organic components (CHOS) in pit lake samples.
- Published in:
- Analytical & Bioanalytical Chemistry, 2016, v. 408, n. 10, p. 2461, doi. 10.1007/s00216-016-9341-2
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- Publication type:
- Article
17
A simplified strategy for molecular formula determination of chemical constituents in traditional Chinese medicines based on accurate mass, A + 1 and A + 2 isotopic peaks using Fourier transform ion cyclotron resonance mass spectrometry.
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- Rapid Communications in Mass Spectrometry: RCM, 2020, v. 34, n. 24, p. 1, doi. 10.1002/rcm.8933
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- Publication type:
- Article
18
Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry.
- Published in:
- BMC Bioinformatics, 2007, v. 8, p. 105, doi. 10.1186/1471-2105-8-105
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- Publication type:
- Article
19
The isotopic mass defect: a tool for limiting molecular formulas by accurate mass.
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- Analytical & Bioanalytical Chemistry, 2010, v. 397, n. 7, p. 2807, doi. 10.1007/s00216-010-3562-6
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- Publication type:
- Article
20
Mass spectrometric determination of molecular formulas for membrane-modifying antibiotics.
- Published in:
- Nature, 1977, v. 269, n. 5631, p. 832, doi. 10.1038/269832a0
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- Publication type:
- Article
21
Design strategies for organic semiconductors beyond the molecular formula.
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- Nature Chemistry, 2012, v. 4, n. 9, p. 699, doi. 10.1038/nchem.1422
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- Publication type:
- Article
22
Inferring the Contribution of Microbial Taxa and Organic Matter Molecular Formulas to Ecological Assembly.
- Published in:
- Frontiers in Microbiology, 2022, v. 13, p. 1, doi. 10.3389/fmicb.2022.803420
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- Publication type:
- Article
23
Some approximate Kohn-Sham molecular energy formulas.
- Published in:
- Molecular Physics, 1998, v. 95, n. 4, p. 681, doi. 10.1080/002689798166675
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- Publication type:
- Article
24
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
- Published in:
- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0220-4
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- Publication type:
- Article
25
Formula optimization of low molecular weight heparin gel and its effect on the mouse model of pruritus.
- Published in:
- Pharmaceutial Care & Research, 2015, v. 15, n. 2, p. 107, doi. 10.5428/pcar20150207
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- Publication type:
- Article
26
Supplementing formula-fed piglets with a low molecular weight fraction of bovine colostrum whey results in an improved intestinal barrier.
- Published in:
- Journal of Animal Science, 2014, v. 92, n. 8, p. 3491, doi. 10.2527/jas.2013-6437
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- Publication type:
- Article
27
Understanding molecular formula assignment of Fourier transform ion cyclotron resonance mass spectrometry data of natural organic matter from a chemical point of view.
- Published in:
- Analytical & Bioanalytical Chemistry, 2014, v. 406, n. 30, p. 7977, doi. 10.1007/s00216-014-8249-y
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- Publication type:
- Article
28
The Molecular Formulæ of Aluminium Compounds.
- Published in:
- Nature, 1889, v. 39, n. 1014, p. 536, doi. 10.1038/039536a0
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- Publication type:
- Article
29
重量法结合氨基酸分析法测定婴幼儿配方乳粉中 小分子蛋白肽含量.
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- Food & Machinery, 2023, n. 3, p. 44, doi. 10.13652/j.spjx.l003.578&2022.80143
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- Publication type:
- Article
30
Network Pharmacology, Molecular Docking and Experimental Exploring Molecular Mechanisms of Yinqiao Anti-Epidemic Formula in Regulating Mucosal Immune System of Respiratory Tract.
- Published in:
- Agricultural Biotechnology (2164-4993), 2023, v. 12, n. 4, p. 75, doi. 10.19759/j.cnki.2164-4993.2023.04.017
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- Publication type:
- Article
31
A Computational Systems Pharmacology Approach to Investigate Molecular Mechanisms of Herbal Formula Tian-Ma-Gou-Teng-Yin for Treatment of Alzheimer’s Disease.
- Published in:
- Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.00668
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- Publication type:
- Article
32
基于整合药理学平台 V2.0 探讨痰瘀同治方抗心肌 缺血再灌注损伤的分子机制.
- Published in:
- Evaluation & Analysis of Drug-Use in Hospitals of China / Zhongguo Yiyuan Yongyao Pingjia yu Fenxi, 2021, n. 3, p. 273, doi. 10.14009/j.issn.1672-2124.2021.03.004
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- Publication type:
- Article
33
Generation of standard gas mixtures of halogenated, aliphatic, and aromatic compounds and prediction of the individual output rates based on molecular formula and boiling point.
- Published in:
- Analytical & Bioanalytical Chemistry, 2012, v. 404, n. 8, p. 2177, doi. 10.1007/s00216-012-6202-5
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- Publication type:
- Article
34
Investigation of compound-independent calibration and partial molecular formula determination by gas chromatography–atomic-emission detection for characterisation of organophosphorus and organosulfur agents related to the chemical weapons convention
- Published in:
- Analytical & Bioanalytical Chemistry, 2005, v. 383, n. 5, p. 848, doi. 10.1007/s00216-005-0064-z
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- Publication type:
- Article
35
A Mechanization of Algebraic Differentiation and the Automatic Generation of Formulae for Molecular Integrals of Gaussian Orbitals.
- Published in:
- Computer Journal, 1963, v. 6, n. 3, p. 287
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- Publication type:
- Article
36
Molecular formula analysis of fragment ions by isotope-selective collision-induced dissociation tandem mass spectrometry of pharmacologically active compounds.
- Published in:
- Journal of Mass Spectrometry, 2014, v. 49, n. 12, p. 1322, doi. 10.1002/jms.3468
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- Publication type:
- Article
37
Biothermodynamics of Hemoglobin and Red Blood Cells: Analysis of Structure and Evolution of Hemoglobin and Red Blood Cells, Based on Molecular and Empirical Formulas, Biosynthesis Reactions, and Thermodynamic Properties of Formation and Biosynthesis.
- Published in:
- Journal of Molecular Evolution, 2024, v. 92, n. 6, p. 776, doi. 10.1007/s00239-024-10205-9
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- Publication type:
- Article
38
Learning with NanoKid: line-angle formula, chemical formula, molecular weight, and elemental analysis.
- Published in:
- Chemistry Teacher International, 2024, v. 6, n. 3, p. 331, doi. 10.1515/cti-2024-0029
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- Publication type:
- Article
39
Syntactic definition and parsing of molecular formulae, part 2: graphical synthesis of molecular formulae for data base queries.
- Published in:
- Computer Journal, 1978, v. 21, n. 3, p. 224
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- Publication type:
- Article
40
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
- Published in:
- 2017
- Publication type:
- Correction Notice
41
Investigating material basis and molecular mechanism of Qing Cuo formula in the treatment of acne based on animal experiments, UPLC-LTQ-Orbitrap-MS and network pharmacology.
- Published in:
- Pharmaceutical Biology, 2023, v. 61, n. 1, p. 973, doi. 10.1080/13880209.2023.2225546
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- Publication type:
- Article
42
Algorithm to infer the structures of molecular formulas within a reaction pathway.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 11, p. 1266, doi. 10.1002/jcc.540151108
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- Publication type:
- Article
43
Determination of molecular formulas and structural regularities of low molecular weight fulvic acids by size-exclusion chromatography with electrospray ionization quadrupole time-of-flight mass spectrometry.
- Published in:
- Rapid Communications in Mass Spectrometry: RCM, 2004, v. 18, n. 16, p. 1777, doi. 10.1002/rcm.1550
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- Publication type:
- Article
44
Network Pharmacology Based Elucidation of Molecular Mechanisms of Laoke Formula for Treatment of Advanced Non-Small Cell Lung Cancer.
- Published in:
- Chinese Journal of Integrative Medicine, 2024, v. 30, n. 11, p. 984, doi. 10.1007/s11655-024-3717-5
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- Publication type:
- Article
45
24 electron cluster formulas as the ‘molecular’ units of ideal metallic glasses.
- Published in:
- Philosophical Magazine, 2014, v. 94, n. 22, p. 2520, doi. 10.1080/14786435.2014.920542
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- Publication type:
- Article
46
Algebraic enumeration of molecular formulae for given molecular weight.
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- International Journal of Mathematical Education in Science & Technology, 1993, v. 24, n. 3, p. 467, doi. 10.1080/0020739930240318
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- Publication type:
- Article
47
Discovery of Molecular Mechanisms of Traditional Chinese Medicinal Formula Si-Wu-Tang Using Gene Expression Microarray and Connectivity Map.
- Published in:
- PLoS ONE, 2011, v. 6, n. 3, p. 1, doi. 10.1371/journal.pone.0018278
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- Publication type:
- Article
48
New Flory‐Huggins interaction parameter between SBR and p‐phenylenediamine antioxidants and the predictive power in molecular structure and rubber formula design.
- Published in:
- Journal of Applied Polymer Science, 2022, v. 139, n. 12, p. 1, doi. 10.1002/app.51840
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- Publication type:
- Article
49
Molecular Formula and Degree of Unsaturation.
- Published in:
- Nature, 1963, v. 200, n. 4912, p. 1202, doi. 10.1038/2001202a0
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- Publication type:
- Article
50
Irregularity molecular descriptors of Cerium oxide [formula omitted] based on mathematical model and calculation.
- Published in:
- Arabian Journal of Chemistry, 2022, v. 15, n. 2, p. N.PAG, doi. 10.1016/j.arabjc.2021.103567
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- Publication type:
- Article