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Download Hi-Res ImageDownload to MS-PowerPointCite This:Anal. Chem. 2015, 87, 11, 5738-5744
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Accelerated Isotope Fine Structure Calculation Using Pruned Transition Trees

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† Eawag, Swiss Federal Institute for Aquatic Science and Technology, 8600 Dübendorf, Switzerland
‡ Institute of Biogeochemistry and Pollutant Dynamics, ETH Zürich, 8092 Zürich, Switzerland
§ Department of Information and Computer Science, Aalto University, 02150 Espoo, Finland
∥ Department of Teleinformatics Engineering, Federal University of Ceará, Fortaleza, Ceará 60020-181, Brazil
*E-mail [email protected]
Cite this: Anal. Chem. 2015, 87, 11, 5738–5744
Publication Date (Web):April 30, 2015
https://doi.org/10.1021/acs.analchem.5b00941
Copyright © 2015 American Chemical Society
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Abstract

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A fast and memory-efficient calculation of theoretical isotope patterns is crucial for the routine interpretation of mass spectrometric data. For high-resolution experiments, calculations must procure the exact masses and probabilities of relevant isotopologues over a wide range of polyisotopic compounds, while pruning low-probable ones. Here, a novel albeit simple treelike structure is introduced to swiftly derive sets of relevant subisotopologues for each element in a molecule, which are then combined to the isotopologues of the full molecule. In contrast to existing approaches, transitions via single replacements of the most abundant isotope per element are used in separable tree branches to derive subisotopologues from each other. Moreover, the underlying transition trees prevent redundant replacements and permit the detection of the most probable isotopologue in a first phase. A relative threshold can then be exploited in a second parallelized phase for a precise prepruning of large fractions of the remaining subisotopologues. The gain in performance from such early pruning and the lower variation in the distortion of simulated data with use of relative rather than absolute thresholds were validated in a large-scale benchmark simulation, unprecedentedly comprising several thousand molecular formulas. Both the algorithm and a wealth of related features are freely available as R-package enviPat and as a user-friendly Web interface.

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  3. Mateusz K. Łącki, Dirk Valkenborg, Michał P. Startek. IsoSpec2: Ultrafast Fine Structure Calculator. Analytical Chemistry 2020, 92 (14) , 9472-9475. https://doi.org/10.1021/acs.analchem.0c00959
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  6. D. Lorenzo, A. Romero, L. Del-Arco, A. Santos. Transformation of Cyclic Ketones as Impurities in Cyclohexanone in the Caprolactam Production Process. Industrial & Engineering Chemistry Research 2019, 58 (48) , 21983-21995. https://doi.org/10.1021/acs.iecr.9b04982
  7. Erik D. Reinhart, Richard F. Jordan. Template-Free Synthesis of a Macrocyclic Bis(pyridine-dienamine) Proligand and Metal Complexes of Its Bis(pyridine-diimine) and Bis(pyridine-dienamido) Forms. Inorganic Chemistry 2019, 58 (22) , 15466-15478. https://doi.org/10.1021/acs.inorgchem.9b02539
  8. Francesco Del Carratore, Kamila Schmidt, Maria Vinaixa, Katherine A. Hollywood, Caitlin Greenland-Bews, Eriko Takano, Simon Rogers, Rainer Breitling. Integrated Probabilistic Annotation: A Bayesian-Based Annotation Method for Metabolomic Profiles Integrating Biochemical Connections, Isotope Patterns, and Adduct Relationships. Analytical Chemistry 2019, 91 (20) , 12799-12807. https://doi.org/10.1021/acs.analchem.9b02354
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  10. D. Lorenzo, A. Romero, L. Del-Arco, A. Santos. Linear Amides in Caprolactam from Linear Ketone Impurities in Cyclohexanone Obtained from Cyclohexane: Kinetics and Identification. Industrial & Engineering Chemistry Research 2019, 58 (27) , 11878-11890. https://doi.org/10.1021/acs.iecr.9b01997
  11. Alexis Léon, Ronan Cariou, Sébastien Hutinet, Julie Hurel, Yann Guitton, Céline Tixier, Catherine Munschy, Jean-Philippe Antignac, Gaud Dervilly-Pinel, Bruno Le Bizec. HaloSeeker 1.0: A User-Friendly Software to Highlight Halogenated Chemicals in Nontargeted High-Resolution Mass Spectrometry Data Sets. Analytical Chemistry 2019, 91 (5) , 3500-3507. https://doi.org/10.1021/acs.analchem.8b05103
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  14. Kevin De Bruycker, Tim Krappitz, Christopher Barner-Kowollik. High Performance Quantification of Complex High Resolution Polymer Mass Spectra. ACS Macro Letters 2018, 7 (12) , 1443-1447. https://doi.org/10.1021/acsmacrolett.8b00804
  15. Kelsey A. Morrison, Brad K. Bendiak, Brian H. Clowers. Assessment of Dimeric Metal-Glycan Adducts via Isotopic Labeling and Ion Mobility-Mass Spectrometry. Journal of the American Society for Mass Spectrometry 2018, 29 (8) , 1638-1649. https://doi.org/10.1021/jasms.8b05883
  16. Rovshan G. Sadygov . Poisson Model To Generate Isotope Distribution for Biomolecules. Journal of Proteome Research 2018, 17 (1) , 751-758. https://doi.org/10.1021/acs.jproteome.7b00807
  17. Mateusz K. Łącki, Michał Startek, Dirk Valkenborg, and Anna Gambin . IsoSpec: Hyperfast Fine Structure Calculator. Analytical Chemistry 2017, 89 (6) , 3272-3277. https://doi.org/10.1021/acs.analchem.6b01459
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  37. Rune Matthiesen. LC-MS Spectra Processing. 2020,,, 59-77. https://doi.org/10.1007/978-1-4939-9744-2_2
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  46. Maximilian J. Helf, Michael F. Freeman, Jörn Piel. Investigations into PoyH, a promiscuous protease from polytheonamide biosynthesis. Journal of Industrial Microbiology & Biotechnology 2019, 46 (3-4) , 551-563. https://doi.org/10.1007/s10295-018-02129-3
  47. Cajetan Neubauer, Alex L. Sessions, Ian R. Booth, Benjamin P. Bowen, Sebastian H. Kopf, Dianne K. Newman, Nathan F. Dalleska. Towards measuring growth rates of pathogens during infections by D 2 O-labeling lipidomics. Rapid Communications in Mass Spectrometry 2018, 32 (24) , 2129-2140. https://doi.org/10.1002/rcm.8288
  48. Jiří Novák, Anton Škríba, Jakub Zápal, Marek Kuzma, Vladimír Havlíček. CycloBranch: An open tool for fine isotope structures in conventional and product ion mass spectra. Journal of Mass Spectrometry 2018, 53 (11) , 1097-1103. https://doi.org/10.1002/jms.4285
  49. A. Santos, J. Fernández, J. Guadaño, D. Lorenzo, A. Romero. Chlorinated organic compounds in liquid wastes (DNAPL) from lindane production dumped in landfills in Sabiñanigo (Spain). Environmental Pollution 2018, 242 , 1616-1624. https://doi.org/10.1016/j.envpol.2018.07.117
  50. Edward S. Hems, Ben A. Wagstaff, Gerhard Saalbach, Robert A. Field. CuAAC click chemistry for the enhanced detection of novel alkyne-based natural product toxins. Chemical Communications 2018, 54 (86) , 12234-12237. https://doi.org/10.1039/C8CC05113E
  51. Petra Cuřínová, Alena Krupková, Lucie Červenková Šťastná, Monika Müllerová, Jan Čermák, Tomáš Strašák. ESI-TOF mass spectrometry of cationic carbosilane dendrimers: A potent tool for characterization of structural defects. Journal of Mass Spectrometry 2018, 53 (10) , 986-996. https://doi.org/10.1002/jms.4269
  52. Hongchao Ji, Zhimin Zhang, Hongmei Lu. TarMet: a reactive GUI tool for efficient and confident quantification of MS based targeted metabolic and stable isotope tracer analysis. Metabolomics 2018, 14 (5) https://doi.org/10.1007/s11306-018-1363-7
  53. Sarah G. Pati, William A. Arnold. Reaction rates and product formation during advanced oxidation of ionic liquid cations by UV/peroxide, UV/persulfate, and UV/chlorine. Environmental Science: Water Research & Technology 2018, 4 (9) , 1310-1320. https://doi.org/10.1039/C8EW00254A
  54. Zuzana Baranová, Hashem Amini, Madhav Neupane, Sydney C. Garrett, Andreas Ehnbom, Nattamai Bhuvanesh, Joseph H. Reibenspies, John A. Gladysz. Syntheses, Structural Studies, and Copper Iodide Complexes of Macrocycles Derived from Williamson Ether Syntheses Involving 2,9-Bis(4-hydroxyphenyl)-1,10-phenanthroline, α,ω-Dibromides, and Resorcinol or 2,7-Dihydroxynaphthalene. Australian Journal of Chemistry 2017, 70 (4) , 373. https://doi.org/10.1071/CH16587
  55. Sebastian Böcker, Kai Dührkop. Fragmentation trees reloaded. Journal of Cheminformatics 2016, 8 (1) https://doi.org/10.1186/s13321-016-0116-8
  56. Hendrik Treutler, Steffen Neumann. Prediction, Detection, and Validation of Isotope Clusters in Mass Spectrometry Data. Metabolites 2016, 6 (4) , 37. https://doi.org/10.3390/metabo6040037
  57. Rozanna Avagyan, Magnus Åberg, Roger Westerholm. Suspect screening of OH-PAHs and non-target screening of other organic compounds in wood smoke particles using HR-Orbitrap-MS. Chemosphere 2016, 163 , 313-321. https://doi.org/10.1016/j.chemosphere.2016.08.039
  58. Eric Block, Squire J. Booker, Sonia Flores-Penalba, Graham N. George, Sivaji Gundala, Bradley J. Landgraf, Jun Liu, Stephene N. Lodge, M. Jake Pushie, Sharon Rozovsky, Abith Vattekkatte, Rama Yaghi, Huawei Zeng. Trifluoroselenomethionine: A New Unnatural Amino Acid. ChemBioChem 2016, 17 (18) , 1738-1751. https://doi.org/10.1002/cbic.201600266
  59. Árpád Somogyi, Roland Thissen, Francois-Régis Orthous-Daunay, Véronique Vuitton. The Role of Ultrahigh Resolution Fourier Transform Mass Spectrometry (FT-MS) in Astrobiology-Related Research: Analysis of Meteorites and Tholins. International Journal of Molecular Sciences 2016, 17 (4) , 439. https://doi.org/10.3390/ijms17040439
  60. Matthias Ruff, Miriam S. Mueller, Martin Loos, Heinz P. Singer. Quantitative target and systematic non-target analysis of polar organic micro-pollutants along the river Rhine using high-resolution mass-spectrometry – Identification of unknown sources and compounds. Water Research 2015, 87 , 145-154. https://doi.org/10.1016/j.watres.2015.09.017

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