{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,20]],"date-time":"2025-10-20T17:30:56Z","timestamp":1760981456515},"publisher-location":"Berlin, Heidelberg","reference-count":16,"publisher":"Springer Berlin Heidelberg","isbn-type":[{"type":"print","value":"9783540395836"},{"type":"electronic","value":"9783540395843"}],"license":[{"start":{"date-parts":[[2006,1,1]],"date-time":"2006-01-01T00:00:00Z","timestamp":1136073600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2006]]},"DOI":"10.1007\/11851561_2","type":"book-chapter","created":{"date-parts":[[2006,9,22]],"date-time":"2006-09-22T08:49:41Z","timestamp":1158914981000},"page":"12-23","source":"Crossref","is-referenced-by-count":16,"title":["Decomposing Metabolomic Isotope Patterns"],"prefix":"10.1007","author":[{"given":"Sebastian","family":"B\u00f6cker","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Matthias C.","family":"Letzel","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zsuzsanna","family":"Lipt\u00e1k","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Anton","family":"Pervukhin","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"2_CR1","doi-asserted-by":"publisher","first-page":"129","DOI":"10.1016\/j.nuclphysa.2003.11.002","volume":"729","author":"G. Audi","year":"2003","unstructured":"Audi, G., Wapstra, A., Thibault, C.: The AME2003 atomic mass evaluation (ii): Tables, graphs, and references. Nucl. Phys. A\u00a0729, 129\u2013336 (2003)","journal-title":"Nucl. Phys. A"},{"key":"2_CR2","doi-asserted-by":"crossref","unstructured":"B\u00f6cker, S., Lipt\u00e1k, Z.: Efficient mass decomposition. In: Proc. of ACM Symposium on Applied Computing (ACM SAC 2005), pp. 151\u2013157 (2006)","DOI":"10.1145\/1066677.1066715"},{"key":"2_CR3","doi-asserted-by":"publisher","first-page":"329","DOI":"10.1016\/0169-7439(89)80032-2","volume":"5","author":"A. F\u00fcrst","year":"1989","unstructured":"F\u00fcrst, A., Clerc, J.-T., Pretsch, E.: A computer program for the computation of the molecular formula. Chemom. Intell. Lab. Syst.\u00a05, 329\u2013334 (1989)","journal-title":"Chemom. Intell. Lab. Syst."},{"issue":"2","key":"2_CR4","doi-asserted-by":"publisher","first-page":"89","DOI":"10.1002\/rcm.2277","volume":"20","author":"A.H. Grange","year":"2006","unstructured":"Grange, A.H., Zumwalt, M.C., Sovocool, G.W.: Determination of ion and neutral loss compositions and deconvolution of product ion mass spectra using an orthogonal acceleration time-of-flight mass spectrometer and an ion correlation program. Rapid Commun. Mass Spectrom.\u00a020(2), 89\u2013102 (2006)","journal-title":"Rapid Commun. Mass Spectrom."},{"issue":"8","key":"2_CR5","doi-asserted-by":"publisher","first-page":"1356","DOI":"10.1021\/ac00272a035","volume":"56","author":"C.S. Hsu","year":"1984","unstructured":"Hsu, C.S.: Diophantine approach to isotopic abundance calculations. Anal. Chem.\u00a056(8), 1356\u20131361 (1984)","journal-title":"Anal. Chem."},{"key":"2_CR6","doi-asserted-by":"publisher","first-page":"354","DOI":"10.1093\/nar\/gkj102","volume":"34","author":"M. Kanehisa","year":"2006","unstructured":"Kanehisa, M., Goto, S., Hattori, M., Aoki-Kinoshita, K.F., Itoh, M., Kawashima, S., Katayama, T., Araki, M., Hirakawa, M.: From genomics to chemical genomics: new developments in KEGG. Nuc. Acid Res.\u00a034, D354\u2013D357 (2006)","journal-title":"Nuc. Acid Res."},{"key":"2_CR7","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-540-24777-7","volume-title":"Knapsack Problems","author":"H. Kellerer","year":"2004","unstructured":"Kellerer, H., Pferschy, U., Pisinger, D.: Knapsack Problems. Springer, Heidelberg (2004)"},{"key":"2_CR8","doi-asserted-by":"publisher","first-page":"107","DOI":"10.1016\/S0003-2670(00)83059-7","volume":"247","author":"H. Kubinyi","year":"1991","unstructured":"Kubinyi, H.: Calculation of isotope distributions in mass spectrometry: A trivial solution for a non-trivial problem. Anal. Chim. Acta.\u00a0247, 107\u2013119 (1991)","journal-title":"Anal. Chim. Acta."},{"key":"2_CR9","unstructured":"McLafferty, F.W.: Wiley Registry of Mass Spectral Data, 7th edn. with NIST 2005 spectral data edition. John Wiley & Sons, Chichester (2005)"},{"issue":"7","key":"2_CR10","doi-asserted-by":"publisher","first-page":"1161","DOI":"10.1002\/rcm.2429","volume":"20","author":"S. Ojanper\u00e4","year":"2006","unstructured":"Ojanper\u00e4, S., Pelander, A., Pelzing, M., Krebs, I., Vuori, E., Ojanper\u00e4, I.: Isotopic pattern and accurate mass determination in urine drug screening by liquid chromatography\/time-of-flight mass spectrometry. Rapid Commun. Mass Spectrom\u00a020(7), 1161\u20131167 (2006)","journal-title":"Rapid Commun. Mass Spectrom"},{"issue":"8","key":"2_CR11","doi-asserted-by":"publisher","first-page":"626","DOI":"10.1021\/ed060p626","volume":"60","author":"V. Pellegrin","year":"1983","unstructured":"Pellegrin, V.: Molecular formulas of organic compounds: the nitrogen rule and degree of unsaturation. J. Chem. Educ.\u00a060(8), 626\u2013633 (1983)","journal-title":"J. Chem. Educ."},{"key":"2_CR12","doi-asserted-by":"publisher","first-page":"12","DOI":"10.1016\/j.jasms.2003.08.011","volume":"15","author":"A.L. Rockwood","year":"2004","unstructured":"Rockwood, A.L., Van Orman, J.R., Dearden, D.V.: Isotopic compositions and accurate masses of single isotopic peaks. J. Am. Soc. Mass Spectr.\u00a015, 12\u201321 (2004)","journal-title":"J. Am. Soc. Mass Spectr."},{"key":"2_CR13","volume-title":"generatingfunctionology","author":"H. Wilf","year":"1990","unstructured":"Wilf, H.: Generating Functionology. Academic Press, London (1990)"},{"issue":"2-3","key":"2_CR14","doi-asserted-by":"publisher","first-page":"337","DOI":"10.1016\/0020-7381(83)85053-0","volume":"52","author":"J.A. Yergey","year":"1983","unstructured":"Yergey, J.A.: A general approach to calculating isotopic distributions for mass spectrometry. Int. J. Mass Spectrom. Ion Phys.\u00a052(2-3), 337\u2013349 (1983)","journal-title":"Int. J. Mass Spectrom. Ion Phys."},{"issue":"10","key":"2_CR15","doi-asserted-by":"publisher","first-page":"1406","DOI":"10.1002\/1615-9861(200210)2:10<1406::AID-PROT1406>3.0.CO;2-9","volume":"2","author":"N. Zhang","year":"2002","unstructured":"Zhang, N., Aebersold, R., Schwikowski, B.: ProbID: a probabilistic algorithm to identify peptides through sequence database searching using tandem mass spectral data. Proteomics\u00a02(10), 1406\u20131412 (2002)","journal-title":"Proteomics"},{"issue":"11","key":"2_CR16","doi-asserted-by":"publisher","first-page":"2482","DOI":"10.1021\/ac991363o","volume":"72","author":"W. Zhang","year":"2000","unstructured":"Zhang, W., Chait, B.T.: ProFound: an expert system for protein identification using mass spectrometric peptide mapping information. Anal. Chem.\u00a072(11), 2482\u20132489 (2000)","journal-title":"Anal. Chem."}],"container-title":["Lecture Notes in Computer Science","Algorithms in Bioinformatics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/11851561_2","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,19]],"date-time":"2019-05-19T13:06:49Z","timestamp":1558271209000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/11851561_2"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006]]},"ISBN":["9783540395836","9783540395843"],"references-count":16,"URL":"https:\/\/doi.org\/10.1007\/11851561_2","relation":{},"ISSN":["0302-9743","1611-3349"],"issn-type":[{"type":"print","value":"0302-9743"},{"type":"electronic","value":"1611-3349"}],"subject":[],"published":{"date-parts":[[2006]]}}}