FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2004809245> ?p ?o ?g. }

• W2004809245 endingPage "3516" @default.
• W2004809245 startingPage "3500" @default.
• W2004809245 abstract "A method for elucidating the elemental compositions of low molecular weight chemicals, based primarily on mass measurements made using liquid chromatography (LC) with time-of-flight mass spectrometry (TOFMS) and quadrupole/time-of-flight mass spectrometry (LC/QTOFMS), was developed and tested for 113 chemicals of environmental interest with molecular masses up to approximately 400 Da. As the algorithm incorporating the method is not affected by differences in the instrument used, or by the ionization method and other ionization conditions, the method is useful not only for LC/TOFMS, but also for all kinds of mass spectra measured with higher accuracy and precision (uncertainties of a few mDa) employing all ionization methods and on-line separation techniques. The method involves calculating candidate compositions for intact ionized molecules (ionized forms of the sample molecule that have lost or gained no more than a proton, i.e., [M+H](+) or [M-H](-)) as well as for fragment ions and corresponding neutral losses, and eliminating those atomic compositions for the molecules that are inconsistent with the corresponding candidate compositions of fragment ions and neutral losses. Candidate compositions were calculated for the measured masses of the intact ionized molecules and of the fragment ions and corresponding neutral losses, using mass uncertainties of 2 and 5 mDa, respectively. Compositions proposed for the ionized molecule that did not correspond to the sum of the compositions of a candidate fragment ion and its corresponding neutral loss were discarded. One, 2-5, 6-10, 11-20, and >20 candidate compositions were found for 65%, 39%, 1%, 1%, and 0%, respectively, for the 124 ionized molecules formed from the 113 chemicals tested (both positive and negative ions were obtained from 11 of the chemicals). However, no candidate composition was found for 2% of the test cases (i.e., 3 chemicals), for each of which the measured mass of one of the product ions was in error by 5-6.7 mDa." @default.
• W2004809245 created "2016-06-24" @default.
• W2004809245 creator A5044458758 @default.
• W2004809245 creator A5057200682 @default.
• W2004809245 creator A5077162749 @default.
• W2004809245 creator A5046337936 @default.
• W2004809245 date "2005-11-01" @default.
• W2004809245 modified "2023-10-09" @default.
• W2004809245 title "Method for the elucidation of the elemental composition of low molecular mass chemicals using exact masses of product ions and neutral losses: application to environmental chemicals measured by liquid chromatography with hybrid quadrupole/time-of-flight mass spectrometry" @default.
• W2004809245 cites W1965645436 @default.
• W2004809245 cites W1987891604 @default.
• W2004809245 cites W2006991984 @default.
• W2004809245 cites W2009025176 @default.
• W2004809245 cites W2028421938 @default.
• W2004809245 cites W2050716515 @default.
• W2004809245 cites W2072755669 @default.
• W2004809245 cites W2076979866 @default.
• W2004809245 cites W2082294612 @default.
• W2004809245 cites W2084126874 @default.
• W2004809245 cites W2094286265 @default.
• W2004809245 cites W2113912247 @default.
• W2004809245 cites W2114167672 @default.
• W2004809245 cites W2168524788 @default.
• W2004809245 doi "https://doi.org/10.1002/rcm.2220" @default.
• W2004809245 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16261657" @default.
• W2004809245 hasPublicationYear "2005" @default.
• W2004809245 type Work @default.
• W2004809245 sameAs 2004809245 @default.
• W2004809245 citedByCount "24" @default.
• W2004809245 countsByYear W20048092452012 @default.
• W2004809245 countsByYear W20048092452013 @default.
• W2004809245 countsByYear W20048092452014 @default.
• W2004809245 countsByYear W20048092452017 @default.
• W2004809245 countsByYear W20048092452021 @default.
• W2004809245 crossrefType "journal-article" @default.
• W2004809245 hasAuthorship W2004809245A5044458758 @default.
• W2004809245 hasAuthorship W2004809245A5046337936 @default.
• W2004809245 hasAuthorship W2004809245A5057200682 @default.
• W2004809245 hasAuthorship W2004809245A5077162749 @default.
• W2004809245 hasConcept C113196181 @default.
• W2004809245 hasConcept C115139119 @default.
• W2004809245 hasConcept C145148216 @default.
• W2004809245 hasConcept C162356407 @default.
• W2004809245 hasConcept C16291436 @default.
• W2004809245 hasConcept C178790620 @default.
• W2004809245 hasConcept C185592680 @default.
• W2004809245 hasConcept C188224857 @default.
• W2004809245 hasConcept C198291218 @default.
• W2004809245 hasConcept C205759337 @default.
• W2004809245 hasConcept C32909587 @default.
• W2004809245 hasConcept C40325409 @default.
• W2004809245 hasConcept C43617362 @default.
• W2004809245 hasConceptScore W2004809245C113196181 @default.
• W2004809245 hasConceptScore W2004809245C115139119 @default.
• W2004809245 hasConceptScore W2004809245C145148216 @default.
• W2004809245 hasConceptScore W2004809245C162356407 @default.
• W2004809245 hasConceptScore W2004809245C16291436 @default.
• W2004809245 hasConceptScore W2004809245C178790620 @default.
• W2004809245 hasConceptScore W2004809245C185592680 @default.
• W2004809245 hasConceptScore W2004809245C188224857 @default.
• W2004809245 hasConceptScore W2004809245C198291218 @default.
• W2004809245 hasConceptScore W2004809245C205759337 @default.
• W2004809245 hasConceptScore W2004809245C32909587 @default.
• W2004809245 hasConceptScore W2004809245C40325409 @default.
• W2004809245 hasConceptScore W2004809245C43617362 @default.
• W2004809245 hasIssue "23" @default.
• W2004809245 hasLocation W20048092451 @default.
• W2004809245 hasLocation W20048092452 @default.
• W2004809245 hasOpenAccess W2004809245 @default.
• W2004809245 hasPrimaryLocation W20048092451 @default.
• W2004809245 hasRelatedWork W1970762238 @default.
• W2004809245 hasRelatedWork W1976221070 @default.
• W2004809245 hasRelatedWork W2031957996 @default.
• W2004809245 hasRelatedWork W2052338166 @default.
• W2004809245 hasRelatedWork W2056901623 @default.
• W2004809245 hasRelatedWork W2072559060 @default.
• W2004809245 hasRelatedWork W2080091427 @default.
• W2004809245 hasRelatedWork W2092749942 @default.
• W2004809245 hasRelatedWork W2520164007 @default.
• W2004809245 hasRelatedWork W2106194216 @default.
• W2004809245 hasVolume "19" @default.
• W2004809245 isParatext "false" @default.
• W2004809245 isRetracted "false" @default.
• W2004809245 magId "2004809245" @default.
• W2004809245 workType "article" @default.