@prefix : . @prefix cl: . @prefix go: . @prefix ms: . @prefix ro: . @prefix bfo: . @prefix dct: . @prefix iao: . @prefix obi: . @prefix owl: . @prefix rdf: . @prefix xml: . @prefix xsd: . @prefix af-c: . @prefix af-e: . @prefix af-m: . @prefix af-p: . @prefix af-q: . @prefix af-r: . @prefix af-x: . @prefix foaf: . @prefix rdfs: . @prefix skos: . @prefix af-fn: . @prefix af-rl: . @prefix chebi: . @prefix af-cur: . @base . rdf:type owl:Ontology ; owl:versionIRI ; owl:imports , ; dct:contributor ; dct:issued "2026-07-08T12:00:00Z"^^xsd:dateTime ; dct:license , ; dct:modified "2026-03-30T12:00:00Z"^^xsd:dateTime ; dct:publisher ; dct:rights , ; dct:rightsHolder ; dct:title "AFO Mass Spectrometry Domain Ontology (REC/2026/06)" ; owl:priorVersion ; owl:versionInfo "REC/2026/06" . ################################################################# # Annotation properties ################################################################# ### http://xmlns.com/foaf/0.1/name foaf:name rdf:type owl:AnnotationProperty . ################################################################# # Classes ################################################################# ### http://purl.allotrope.org/ontologies/equipment#AFE_0000114 af-e:AFE_0000114 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000753 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:definition "A skimmer is a cone with a central orifice that intercepts the center of a spray or jet expansion to sample the central portion of the expansion, for example, as in a momentum separator. [IUPAC]" ; skos:prefLabel "skimmer" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000223 af-e:AFE_0000223 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000004 ; skos:altLabel "EI source" , "electron impact source" ; skos:definition "An electron ionization source is an ion source that consists of an ionization chamber and a thin strip of metal that is heated electrically to incandescence or a temperature at which it emits free electrons that are accelerated through a potential to an energy where they ionize the sample. [CHMO]" ; skos:prefLabel "electron ionization source" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000370 af-e:AFE_0000370 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000004 ; skos:altLabel "CI source" ; skos:definition "A chemical ionization source is an ion source that consists of a high-pressure ionization chamber containing a reagent gas (for example N2, O2 or H2O) which is ionized by high-energy electrons from a heated strip of metal and goes on to react with the analyte to ionize it. [CHMO]" ; skos:prefLabel "chemical ionization source" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000527 af-e:AFE_0000527 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000648 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "QMS" , "quad-MS" ; skos:definition "A piece of apparatus that consists of an ion source, a mass-to-charge analyzer, a detector and a vacuum system and is used to measure mass spectra. The detector is a quadrupole mass-to-charge analyzer, which holds the ions in a stable orbit by an electric field generated by four parallel electrodes. [IUPAC]" ; skos:prefLabel "quadrupole mass spectrometer" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000541 af-e:AFE_0000541 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000625 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "QIT" , "QUISTOR" , "quadrupole ion storage trap" , "quadrupole ion trap" ; skos:definition "Ion trapping device that depends on the application of radio frequency potentials between a ring electrode and two end-cap electrodes to confine the ion motion to a cyclic path described by an appropriate form of the Mathieu equation. The choice of these potentials determines the m/z value below which ions are not trapped. [IUPAC]" ; skos:prefLabel "Paul ion trap" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000625 af-e:AFE_0000625 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000038 ; dct:license ; dct:rights ; dct:source "A. G. Marshall, C. L. Hendrickson, G. S. Jackson. Mass Spectrom. Rev. 17, 1 (1998)." , "J. P. Holder, L. Gruber, H. E. DeWitt, B. R. Beck, D. A. Church, D. Schneider. Phys. Scr., T 92, 158 (2001)." , "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "IT" , "LCQ" , "LTQ" ; skos:definition "A ion trap is a device for spatially confining ions using electric and magnetic fields alone or in combination. [IUPAC]" ; skos:prefLabel "ion trap" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000669 af-e:AFE_0000669 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000771 ; skos:altLabel "electrospray emitter" , "electrospray needle" ; skos:definition "Inlet used for introducing the liquid sample into an electrospray ionization source. [PSI/MS]" ; skos:prefLabel "electrospray inlet" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000753 af-e:AFE_0000753 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000354 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "ion guide" ; skos:definition "Devices designed to control the formation, focusing, and deflection of charged particle beams in a vacuum under the influence of electric and magnetic fields. [IUPAC]" ; skos:prefLabel "ion optics" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000771 af-e:AFE_0000771 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000462 ; skos:definition "An ion source inlet is an inlet into an ion source of a mass spectrometer. [Allotrope]" ; skos:prefLabel "ion source inlet" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0000776 af-e:AFE_0000776 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000527 ; skos:altLabel "SQD" , "single quadrupole" ; skos:definition "A single quadrupole mass spectrometer is a type of quadrupole mass spectrometer that uses one single quadrupole field. [Allotrope]" ; skos:prefLabel "single quadrupole mass spectrometer" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0001045 af-e:AFE_0001045 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000038 ; skos:altLabel "quadripole" ; skos:definition "A quadrupole is a mass-to-charge analyzer that holds the ions in a stable orbit by an electric field generated by four parallel electrodes. [Allotrope]" ; skos:prefLabel "quadrupole" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0002205 af-e:AFE_0002205 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0002141 ; skos:altLabel "MS system" ; skos:definition "A mass spectrometry system is a measuring system that is designed and assembled to realize the measurement function by way of mass spectrometry. [Allotrope]" ; skos:prefLabel "mass spectrometry system" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0002215 af-e:AFE_0002215 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000004 , [ rdf:type owl:Restriction ; owl:onProperty bfo:_0000050 ; owl:someValuesFrom af-e:AFE_0000648 ] ; af-x:AFX_0002809 ; skos:altLabel "MS ionization source" , "mass spectrometry ionization source" ; skos:definition "A mass spectrometer ionization source is a piece of apparatus that takes an analyte and generates ions which are passed to the rest of a mass spectrometer for analysis. [CHMO]" ; skos:prefLabel "mass spectrometer ionization source" . ### http://purl.allotrope.org/ontologies/equipment#AFE_0002217 af-e:AFE_0002217 rdf:type owl:Class ; rdfs:subClassOf af-e:AFE_0000354 ; skos:altLabel "filament" ; skos:definition "A filament is a device that produces an electron stream to charge neutrals for analysis by mass spectrometry. [Allotrope]" ; skos:prefLabel "filament (ms)" . ### http://purl.allotrope.org/ontologies/material#AFM_0001101 af-m:AFM_0001101 rdf:type owl:Class ; rdfs:subClassOf af-m:AFM_0000880 ; skos:altLabel "collision energy" ; skos:definition "Collision energy is energy for an ion experiencing collision with a stationary gas particle resulting in dissociation of the ion. [PSI/MS]" ; skos:prefLabel "collision energy (material entity)" . ### http://purl.allotrope.org/ontologies/process#AFP_0001026 af-p:AFP_0001026 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001993 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "CI" ; skos:definition "Formation of a new ion in the gas phase by the reaction of a neutral with an ion. The process may involve transfer of an electron, a proton, or other charged species between the reactants. [IUPAC]" ; skos:prefLabel "chemical ionization" ; skos:scopeNote "This term is not synonymous with chemi-ionization. [IUPAC]" , "When a positive ion results from chemical ionization, the term may be used without qualification. When a negative ion results, the term negative ion chemical ionization should be used. [IUPAC]" . ### http://purl.allotrope.org/ontologies/process#AFP_0001109 af-p:AFP_0001109 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001427 ; skos:altLabel "QMS" , "quadrapole mass spectrometry" , "quadrupolar mass spectrometry" , "quadrupolar mass spectroscopy" , "quadrupole mass spectroscopy" ; skos:definition "Quadrapole mass spectrometry is a type of mass spectrometry where the mass-to-charge ratio of the sample ions is measured using an electric field generated by four parallel electrodes. [Allotrope]" ; skos:prefLabel "quadrupole mass spectrometry" . ### http://purl.allotrope.org/ontologies/process#AFP_0001701 af-p:AFP_0001701 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001993 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "EI" , "electron impact" , "electron impact ionization" ; skos:definition "Electron ionization is a ionization that removes one or more electrons from an atom or molecule through interactions with electrons that are typically accelerated to energies between 10 and 150 eV. [IUPAC]" ; skos:prefLabel "electron ionization" . ### http://purl.allotrope.org/ontologies/process#AFP_0001707 af-p:AFP_0001707 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001427 ; dct:license ; dct:rights ; dct:source "G. L. Glish. Analyst 119, 533 (1994)." , "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "MSn" , "MSn spectrometry" , "MSn spectroscopy" , "multiple-stage mass spectroscopy" ; skos:definition "Multiple-stage mass spectrometry is a mass spectrometry where multiple stages of precursor ion m/z selection are followed by product ion detection for successive nth-generation product ions. [IUPAC]" ; skos:prefLabel "multiple-stage mass spectrometry" . ### http://purl.allotrope.org/ontologies/process#AFP_0002008 af-p:AFP_0002008 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001707 ; dct:license ; dct:rights ; dct:source "E. de Hoffmann (1996). Tandem Mass Spectrometry: a Primer. Journal of Mass Spectrometry 31: 129–137." , "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "SRM" ; skos:definition "Selected reaction monitoring is a multiple-stage mass spectrometry where data acquired from one or more specific product ions corresponding to m/z selected precursor ions are recorded via two or more stages of mass spectrometry. [IUPAC]" ; skos:note "Selected reaction monitoring applied to multiple product ions from one or more precursor ions is known as multiple reaction monitoring. [IUPAC]" , "Selected reaction monitoring in multiple-stage mass spectrometry is known as consecutive reaction monitoring. [IUPAC]" ; skos:prefLabel "selected reaction monitoring" . ### http://purl.allotrope.org/ontologies/process#AFP_0002103 af-p:AFP_0002103 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0002573 ; dct:license ; dct:rights ; dct:source "J. B. Fenn, M. Mann, C. K. Meng, S. F. Wong, C. M. Whitehouse. Science 246, 64 (1989)." , "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" , "M. Dole, L. L. Mack, R. L. Hines, R. C. Mobley, L. D. Ferguson, M. B. Alice. J. Chem. Phys. 49, 2240 (1968)." ; skos:altLabel "ESI" , "ionspray" ; skos:definition "Spray ionization process in which either cations or anions in solution are transferred to the gas phase via formation and desolvation at atmospheric pressure of a stream of highly charged droplets that result from applying a potential difference between the tip of the electrospray needle containing the solution and a counter electrode. [IUPAC]" ; skos:note "The term ionspray is deprecated unless describing the commercial product." ; skos:prefLabel "electrospray ionization" . ### http://purl.allotrope.org/ontologies/process#AFP_0002437 af-p:AFP_0002437 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001427 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "SIM" , "SIR" , "selected ion recording" ; skos:definition "Selected ion monitoring is mass spectrometry where the abundances of ions of one or more specific m/z values are recorded rather than the entire mass spectrum. [IUPAC]" ; skos:prefLabel "selected ion monitoring" . ### http://purl.allotrope.org/ontologies/process#AFP_0002515 af-p:AFP_0002515 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001146 ; skos:definition "A mass spectrometry scan is a scan in a mass spectrometry run. [Allotrope]" ; skos:prefLabel "mass spectrometry scan" . ### http://purl.allotrope.org/ontologies/process#AFP_0002535 af-p:AFP_0002535 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0002008 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "MRM" ; skos:definition "Multiple reaction monitoring is a selected reaction monitoring applied to multiple product ions from one or more precursor ions. [IUPAC]" ; skos:note "This term should not be confused with consecutive reaction monitoring, which involves the serial application of three or more stages of selected reaction monitoring. [IUPAC]" ; skos:prefLabel "multiple reaction monitoring" . ### http://purl.allotrope.org/ontologies/process#AFP_0002573 af-p:AFP_0002573 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001993 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:definition "Spray ionization is a ionization that involve dispersing the liquid into fine droplets as a component step. [IUPAC]" ; skos:note "Most of these techniques are examples of atmospheric pressure ionization. [IUPAC]" ; skos:prefLabel "spray ionization" . ### http://purl.allotrope.org/ontologies/process#AFP_0003710 af-p:AFP_0003710 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0003335 ; dct:source ; skos:altLabel "mass analysis" , "mass selection" ; skos:definition "Ion selection is dividing ions according to their mass to charge ratio in a mass analyzer. [Allotrope]" ; skos:prefLabel "ion selection" . ### http://purl.allotrope.org/ontologies/process#AFP_0003747 af-p:AFP_0003747 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001109 ; skos:altLabel "SQDMS" ; skos:definition "Single quadrupole mass spectrometry is a quadrupole mass spectrometry using a single quadrupole mass analyzer. [Allotrope]" ; skos:prefLabel "single quadrupole mass spectrometry" . ### http://purl.allotrope.org/ontologies/process#AFP_0003809 af-p:AFP_0003809 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0003598 ; af-x:AFX_0002808 ms:_1000034 ; skos:definition "Charge deconvolution is a data transformation of a spectrum representing multiply charged ions to singly charged or neutral masses. [Allotrope]" ; skos:prefLabel "charge deconvolution" . ### http://purl.allotrope.org/ontologies/process#AFP_0003851 af-p:AFP_0003851 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0001993 ; af-x:AFX_0002808 ; skos:altLabel "LDI" ; skos:definition "A laser desorption ionization is a ionization involving the use of a pulsed laser to induce desorption and ionization of a sample. [Allotrope]" ; skos:prefLabel "laser desorption ionization" . ### http://purl.allotrope.org/ontologies/process#AFP_0003852 af-p:AFP_0003852 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0003851 ; af-x:AFX_0002808 ; skos:altLabel "MALDI" , "matrix assisted laser desorption ionization" ; skos:definition "A matrix-assisted laser desorption ionization is a laser desorption ionization using a laser energy absorbing matrix compound mixed with the sample. [Allotrope]" ; skos:prefLabel "matrix-assisted laser desorption ionization" . ### http://purl.allotrope.org/ontologies/process#AFP_0003854 af-p:AFP_0003854 rdf:type owl:Class ; rdfs:subClassOf af-p:AFP_0003712 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:definition "A fragmentation is an ion reaction in which the breakdown of a radical ion forms an ion of lower molar mass and a radical. [IUPAC]" ; skos:prefLabel "fragmentation" . ### http://purl.allotrope.org/ontologies/quality#AFQ_0000149 af-q:AFQ_0000149 rdf:type owl:Class ; owl:equivalentClass [ rdf:type owl:Class ; owl:unionOf ( af-q:AFQ_0000150 af-q:AFQ_0000151 af-q:AFQ_0000152 ) ] ; rdfs:subClassOf af-q:AFQ_0000036 , [ rdf:type owl:Restriction ; owl:onProperty ro:_0000080 ; owl:someValuesFrom af-e:AFE_0000004 ] ; skos:definition "Ionization polarity is a device configuration of a ionization source whether the ions charge is negative or positive. [Allotrope]" ; skos:prefLabel "ionization polarity" . ### http://purl.allotrope.org/ontologies/quality#AFQ_0000150 af-q:AFQ_0000150 rdf:type owl:Class ; rdfs:subClassOf af-q:AFQ_0000149 ; skos:altLabel "negative polarity" ; skos:definition "Polarity of the ionization is negative. [Allotrope]" ; skos:prefLabel "negative ionization polarity" . ### http://purl.allotrope.org/ontologies/quality#AFQ_0000151 af-q:AFQ_0000151 rdf:type owl:Class ; rdfs:subClassOf af-q:AFQ_0000149 ; skos:altLabel "positive polarity" ; skos:definition "Polarity of the ionization is positive. [Allotrope]" ; skos:prefLabel "positive ionization polarity" . ### http://purl.allotrope.org/ontologies/quality#AFQ_0000152 af-q:AFQ_0000152 rdf:type owl:Class ; rdfs:subClassOf af-q:AFQ_0000149 ; skos:altLabel "alternating polarity" ; skos:definition "Polarity of the ionization is alternating between positive and negative. [Allotrope]" ; skos:prefLabel "alternating ionization polarity" . ### http://purl.allotrope.org/ontologies/quality#AFQ_0000254 af-q:AFQ_0000254 rdf:type owl:Class ; rdfs:subClassOf af-q:AFQ_0000036 , [ rdf:type owl:Restriction ; owl:onProperty ro:_0000080 ; owl:someValuesFrom af-e:AFE_0002205 ] ; skos:definition "A mass spectrometry system configuration is a device configuration of a mass spectrometry system, that influences the operation of the system. [Allotrope]" ; skos:prefLabel "mass spectrometry system configuration" . ### http://purl.allotrope.org/ontologies/result#AFR_0000386 af-r:AFR_0000386 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000439 ; skos:altLabel "MIM spectrum" , "multiple ion monitoring spectrum" , "selected ion monitoring spectrum" ; skos:definition "Spectrum obtained with the operation of a mass spectrometer in which the abundances of one ion or several ions of specific m/z values are recorded rather than the entire mass spectrum (Selected Ion Monitoring). [PSI/MS]" ; skos:prefLabel "SIM spectrum" . ### http://purl.allotrope.org/ontologies/result#AFR_0000561 af-r:AFR_0000561 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0002542 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "extracted ion signal" ; skos:definition "Any plot of signal intensity observed at a chosen m/z value or set of values in a series of mass spectra recorded as a function of time, including extracted ion chromatogram, extracted ion electropherogram, or from flow injection analysis or any other time-dependent sampling. [IUPAC]" ; skos:prefLabel "extracted ion profile" . ### http://purl.allotrope.org/ontologies/result#AFR_0000570 af-r:AFR_0000570 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000231 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:definition "Group of peaks representing ions of the same elemental composition, but different isotopic compositions. [IUPAC]" ; skos:prefLabel "isotope cluster" . ### http://purl.allotrope.org/ontologies/result#AFR_0000860 af-r:AFR_0000860 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000639 ; skos:definition "A tune file is a file that contains the tuning parameters of a mass spectrometer tuning. [Allotrope]" ; skos:prefLabel "mass spectrometry tune file" . ### http://purl.allotrope.org/ontologies/result#AFR_0001855 af-r:AFR_0001855 rdf:type owl:Class ; rdfs:subClassOf iao:_0000088 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002734 ; owl:someValuesFrom af-p:AFP_0002535 ] ; skos:altLabel "MRM transition report" ; skos:definition "A multiple reaction monitoring (MRM) transition report is a report that is summarizing the analysis of a MRM experiment. [Allotrope]" ; skos:prefLabel "multiple reaction monitoring transition report" . ### http://purl.allotrope.org/ontologies/result#AFR_0001861 af-r:AFR_0001861 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000922 ; af-x:AFX_0002808 ms:_1000908 ; skos:altLabel "multiple reaction monitoring transition" , "transition" ; skos:definition "An ion transition is a description of the transition from precursor ion to product ions. [Allotrope]" ; skos:prefLabel "ion transition" ; skos:scopeNote "A set of two m/z values corresponding to the precursor m/z and a fragment m/z that in combination can be used to identify or quantify a specific ion, although not necessarily uniquely. [PSI/MS]" . ### http://purl.allotrope.org/ontologies/result#AFR_0001863 af-r:AFR_0001863 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000922 , [ owl:intersectionOf ( af-c:AFC_0000166 [ rdf:type owl:Restriction ; owl:onProperty ro:_0002351 ; owl:someValuesFrom af-r:AFR_0001861 ] ) ; rdf:type owl:Class ] ; af-x:AFX_0002798 "true"^^xsd:boolean ; skos:altLabel "transition list" ; skos:definition "A ion transition list is a collection of ion transitions. [Allotrope]" ; skos:prefLabel "ion transition list" . ### http://purl.allotrope.org/ontologies/result#AFR_0001865 af-r:AFR_0001865 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001619 ; af-x:AFX_0002808 ms:_1000011 ; dct:license ; dct:rights ; dct:source "G. L. Glish, D. J. Burinsky. J. Am. Soc. Mass Spectrom. 19, 161 (2008)." , "IUPAC. Analytical Division. Compendium of Analytical Nomenclature (the Orange Book). Definitive Rules, 1979. Compiled by J. Inczédy, T. Lengyel, A. M. Ure. Blackwell Scientific Publications, Oxford (1997)" , "IUPAC. Compendium of Chemical Terminology, 2nd ed. (the Gold Book). Compiled by A. D. McNaught and A.Wilkinson. Blackwell Scientific Publications, Oxford (1997)." , "J. Laskin, J. H. Futrell. Mass Spectrom. Rev. 24, 135 (2005)." , "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:definition "Mass resolution is a resolution in a mass spectrum, the observed m/z value divided by the smallest difference Δ(m/z) for two ions that can be separated: (m/z)/Δ(m/z). [IUPAC]" ; skos:prefLabel "mass resolution" . ### http://purl.allotrope.org/ontologies/result#AFR_0001866 af-r:AFR_0001866 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001505 ; skos:definition "A mass spectrometry system setting is a setting that specifies the operation of a mass spectrometry system. [Allotrope]" ; skos:prefLabel "mass spectrometry system setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0001867 af-r:AFR_0001867 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001866 ; af-x:AFX_0002808 ms:_1000502 ; skos:definition "The dwell time is a mass spectrometry system setting that specifies the time spent gathering data across a peak. [Allotrope]" ; skos:prefLabel "dwell time" . ### http://purl.allotrope.org/ontologies/result#AFR_0001868 af-r:AFR_0001868 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001583 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002816 ; owl:someValuesFrom af-q:AFQ_0000257 ] ; af-x:AFX_0002808 ms:_1000040 ; dct:license ; dct:rights ; skos:altLabel "mass-to-charge ratio" ; skos:definition "A quantification facet that quantifies the quantity formed by dividing the mass of an ion in unified atomic mass units by its charge number (regardless of sign). [IUPAC]" ; skos:prefLabel "m/z" ; skos:scopeNote "Mass-to-charge ratio is deprecated. Mass-to-charge ratio has been used occasionally for the horizontal axis in a plot of a mass spectrum, although the quantity measured is not the ion's mass divided by its electric charge (SI units kg C-1). [IUPAC]" , "m/z is recommended as an abbreviation to represent the dimensionless quantity that is used almost universally as the independent variable in a mass spectrum. [IUPAC]" . ### http://purl.allotrope.org/ontologies/result#AFR_0001873 af-r:AFR_0001873 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001101 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002730 ; owl:someValuesFrom af-rl:AFRL_0000312 ] ; skos:definition "A qualifier transition ratio is a ratio of the magnitudes of the qualifier transition signal to the quantifier transition signal. [Allotrope]" ; skos:prefLabel "qualifier transition ratio" . ### http://purl.allotrope.org/ontologies/result#AFR_0001874 af-r:AFR_0001874 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001873 , af-rl:AFRL_0000157 ; skos:definition "A measured qualifier transition ratio is a qualifier transition ratio that has the contextual role of a measure. [Allotrope]" ; skos:prefLabel "measured qualifier transition ratio" . ### http://purl.allotrope.org/ontologies/result#AFR_0001875 af-r:AFR_0001875 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001873 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002730 ; owl:someValuesFrom af-rl:AFRL_0000474 ] ; skos:definition "An expected qualifier transition ratio is a qualifier transition ratio that has the contextual role of an expected datum. [Allotrope]" ; skos:prefLabel "expected qualifier transition ratio" . ### http://purl.allotrope.org/ontologies/result#AFR_0001876 af-r:AFR_0001876 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001873 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002730 ; owl:someValuesFrom af-rl:AFRL_0000064 ] ; skos:definition "A minimum qualifier transition ratio is a qualifier transition ratio that species a minimum allowed qualified transition ratio. [Allotrope]" ; skos:prefLabel "minimum qualifier transition ratio" . ### http://purl.allotrope.org/ontologies/result#AFR_0001877 af-r:AFR_0001877 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001873 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002730 ; owl:someValuesFrom af-rl:AFRL_0000064 ] ; skos:definition "A maximum qualifier transition ratio is a qualifier transition ratio that species a maximum allowed qualified transition ratio. [Allotrope]" ; skos:prefLabel "maximum qualifier transition ratio" . ### http://purl.allotrope.org/ontologies/result#AFR_0001878 af-r:AFR_0001878 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001871 ; skos:definition "A transition qualification is a qualification that a measured transition ratio that is consistent with the expected transition ratio. [Allotrope]" ; skos:prefLabel "transition qualification" . ### http://purl.allotrope.org/ontologies/result#AFR_0001879 af-r:AFR_0001879 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001583 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002816 ; owl:someValuesFrom [ owl:intersectionOf ( af-q:AFQ_0000253 [ rdf:type owl:Restriction ; owl:onProperty ro:_0000080 ; owl:someValuesFrom af-m:AFM_0001101 ] ) ; rdf:type owl:Class ] ] ; skos:definition "Collision energy is a quality quantification facet that quantifies the energy for an ion experiencing collision with a stationary gas particle resulting in dissociation of the ion. [PSI/MS]" ; skos:prefLabel "collision energy" . ### http://purl.allotrope.org/ontologies/result#AFR_0001945 af-r:AFR_0001945 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001866 ; skos:definition "Pause time is a mass spectrometry system setting that specifies the time in between different ms event's measurement time to allow the instrument to equilibrate. [Allotrope]" ; skos:prefLabel "pause time" ; skos:scopeNote "Pause time applies to MRM or SIM events and does not apply to polarity switching time. [Allotrope]" . ### http://purl.allotrope.org/ontologies/result#AFR_0001950 af-r:AFR_0001950 rdf:type owl:Class . ### http://purl.allotrope.org/ontologies/result#AFR_0001958 af-r:AFR_0001958 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001243 , af-r:AFR_0001866 , af-r:AFR_0001967 ; skos:altLabel "ionization switch delay" ; skos:changeNote "2020-01-06 Fix super class. [Allotrope]" ; skos:definition "A setting that controls the duration of time after which an ion source switches polarity of ionization. [Allotrope]" ; skos:prefLabel "ionization switch delay setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0001959 af-r:AFR_0001959 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001243 , af-r:AFR_0001866 , af-r:AFR_0001967 ; skos:altLabel "polarity switch delay" ; skos:changeNote "2020-01-06 Fix super class. [Allotrope]" ; skos:definition "A setting that controls the duration of time after which polarity of a scan switches. [Allotrope]" ; skos:prefLabel "polarity switch delay setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0001960 af-r:AFR_0001960 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001243 , af-r:AFR_0001866 ; skos:altLabel "SIM mass setting" , "mass per charge setting" , "mass setting" , "mass to charge setting" , "selected ion monitoring mass" ; skos:definition "A m/z is a setting that controls the mass per charge ratio of a scan. [Allotrope]" ; skos:prefLabel "m/z setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0001961 af-r:AFR_0001961 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000966 ; af-x:AFX_0002798 "true"^^xsd:boolean ; skos:altLabel "pre-peak background time measurement range" ; skos:definition "Pre-peak background time measurement datum is a time datum that describes the period of time for background correction before a peak is detected. [Allotrope]" ; skos:prefLabel "pre-peak background time measurement datum" . ### http://purl.allotrope.org/ontologies/result#AFR_0001962 af-r:AFR_0001962 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000966 ; af-x:AFX_0002798 "true"^^xsd:boolean ; skos:altLabel "post-peak background time measurement range" ; skos:definition "Post-peak background time measurement datum is a time datum that describes the period of time for background correction after a peak is detected. [Allotrope]" ; skos:prefLabel "post-peak background time measurement datum" . ### http://purl.allotrope.org/ontologies/result#AFR_0002417 af-r:AFR_0002417 rdf:type owl:Class ; rdfs:subClassOf iao:_0000310 , [ rdf:type owl:Restriction ; owl:onProperty iao:_0000136 ; owl:someValuesFrom af-p:AFP_0001427 ] ; skos:altLabel "mass spectrometry result" ; skos:definition "A mass spectrometry document is a document that encompasses the information associated with a mass spectrometry run. [Allotrope]" ; skos:prefLabel "mass spectrometry document" . ### http://purl.allotrope.org/ontologies/result#AFR_0002539 af-r:AFR_0002539 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0002542 ; af-x:AFX_0002808 ms:_1000235 ; skos:altLabel "total ion signal" ; skos:definition "A total ion profile is an ion profile that is the sum of all detected ion current signals at each time point. [Allotrope]" ; skos:prefLabel "total ion profile" . ### http://purl.allotrope.org/ontologies/result#AFR_0002541 af-r:AFR_0002541 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001696 ; af-x:AFX_0002808 ms:_1000502 ; skos:definition "A mass output setting is a data processing setting that specifies the charge output value on some charge deconvolution output. [Allotrope]" ; skos:prefLabel "mass output setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0002542 af-r:AFR_0002542 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001060 ; skos:altLabel "ion signal" ; skos:definition "An ion profile is a distribution function of a ion current signal of a mass detector. [Allotrope]" ; skos:prefLabel "ion profile" . ### http://purl.allotrope.org/ontologies/result#AFR_0002543 af-r:AFR_0002543 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0002542 ; af-x:AFX_0002808 ms:_1000627 ; skos:altLabel "selected ion signal" ; skos:definition "A selected ion profile is an ion profile where only preselected m/z values are detected in the analysis. [Allotrope]" ; skos:prefLabel "selected ion profile" . ### http://purl.allotrope.org/ontologies/result#AFR_0002544 af-r:AFR_0002544 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001243 ; af-x:AFX_0002808 ms:_1000502 ; skos:definition "A mass resolution setting is a control setting that specifies the nominal mass resolution target for a mass spectrometry scan. [Allotrope]" ; skos:prefLabel "mass resolution setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0002547 af-r:AFR_0002547 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0002546 ; skos:definition "An ion current signal is the output of a mass detector, that signals the ion current. [Allotrope]" ; skos:prefLabel "ion current signal" . ### http://purl.allotrope.org/ontologies/result#AFR_0002643 af-r:AFR_0002643 rdf:type owl:Class ; rdfs:subClassOf af-c:AFC_0000160 , iao:_0000310 , [ rdf:type owl:Restriction ; owl:onProperty ro:_0002351 ; owl:someValuesFrom af-r:AFR_0002417 ] ; skos:definition "A mass spectrometry aggregate document is a document that aggregates mass spectrometry documents. [Allotrope]" ; skos:prefLabel "mass spectrometry aggregate document" . ### http://purl.allotrope.org/ontologies/result#AFR_0002652 af-r:AFR_0002652 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001960 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002704 ; owl:someValuesFrom af-r:AFR_0002440 ] ; skos:altLabel "SIM mass minimum setting" , "mass minimum setting" , "mass per charge minimum setting" , "mass to charge minimum setting" , "selected ion monitoring minimum mass" ; skos:definition "A m/z minimum setting is a m/z setting that specifies the minimum mass per charge ratio of a scan. [Allotrope]" ; skos:prefLabel "m/z minimum setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0002653 af-r:AFR_0002653 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001960 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002704 ; owl:someValuesFrom af-r:AFR_0002441 ] ; skos:altLabel "SIM mass maximum setting" , "mass maximum setting" , "mass per charge maximum setting" , "mass to charge maximum setting" , "selected ion monitoring maximum mass" ; skos:definition "A m/z maximum setting is a m/z setting that specifies the maximum mass per charge ratio of a scan. [Allotrope]" ; skos:prefLabel "m/z maximum setting" . ### http://purl.allotrope.org/ontologies/result#AFR_0002857 af-r:AFR_0002857 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000992 , af-r:AFR_0002256 , , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf af-x:AFX_0002737 ] ; owl:someValuesFrom af-r:AFR_0000439 ] ; skos:definition "A mass spectrum data cube is a data cube that is a representation of a mass spectrum. [Allotrope]" ; skos:prefLabel "mass spectrum data cube" . ### http://purl.allotrope.org/ontologies/result#AFR_0002878 af-r:AFR_0002878 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000992 , af-r:AFR_0002256 , , [ rdf:type owl:Restriction ; owl:onProperty [ owl:inverseOf af-x:AFX_0002737 ] ; owl:someValuesFrom af-r:AFR_0001950 ] ; skos:altLabel "3 dimensional mass spectrum data cube" , "3-D mass spectrum data cube" , "3-dimensional mass spectrum data cube" , "3D mass spectrum data cube" , "three dimensional mass spectrum data cube" ; skos:definition "A three-dimensional mass spectrum data cube is a data cube that is a representation of a three-dimensional mass spectrum. [Allotrope]" ; skos:prefLabel "three-dimensional mass spectrum data cube" . ### http://purl.allotrope.org/ontologies/result#AFR_0002886 af-r:AFR_0002886 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000917 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002717 ; owl:someValuesFrom af-r:AFR_0000439 ] ; skos:definition "A mass spectrum identifier is an identifier that identifies some mass spectrum. [Allotrope]" ; skos:prefLabel "mass spectrum identifier" . ### http://purl.allotrope.org/ontologies/result#AFR_0003201 af-r:AFR_0003201 rdf:type owl:Class ; rdfs:subClassOf af-c:AFC_0000160 , iao:_0000310 , [ rdf:type owl:Restriction ; owl:onProperty ro:_0002351 ; owl:someValuesFrom af-r:AFR_0003202 ] ; skos:definition "A fragmentation aggregate document is a document that aggregates fragmentation documents. [Allotrope]" ; skos:prefLabel "fragmentation aggregate document" . ### http://purl.allotrope.org/ontologies/result#AFR_0003202 af-r:AFR_0003202 rdf:type owl:Class ; rdfs:subClassOf iao:_0000310 , [ rdf:type owl:Restriction ; owl:onProperty iao:_0000136 ; owl:someValuesFrom af-p:AFP_0003854 ] ; skos:definition "A fragmentation document is a document that encompasses the information associated with some fragmentation. [Allotrope]" ; skos:prefLabel "fragmentation document" . ### http://purl.allotrope.org/ontologies/result#AFR_0003203 af-r:AFR_0003203 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001583 ; skos:definition "An isolation window lower limit is a quality quantification facet that describes the lower limit on the isolation window of some mass spectrometry scan. [Allotrope]" ; skos:prefLabel "isolation window lower limit" . ### http://purl.allotrope.org/ontologies/result#AFR_0003204 af-r:AFR_0003204 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001583 ; skos:definition "An isolation window upper limit is a quality quantification facet that describes the upper limit on the isolation window of some mass spectrometry scan. [Allotrope]" ; skos:prefLabel "isolation window upper limit" . ### http://purl.allotrope.org/ontologies/result#AFR_0003205 af-r:AFR_0003205 rdf:type owl:Class ; rdfs:subClassOf af-c:AFC_0000160 , iao:_0000310 , [ rdf:type owl:Restriction ; owl:onProperty ro:_0002351 ; owl:someValuesFrom af-r:AFR_0003206 ] ; skos:definition "A precursor ion aggregate document is a document that aggregates precursor ion documents. [Allotrope]" ; skos:prefLabel "precursor ion aggregate document" . ### http://purl.allotrope.org/ontologies/result#AFR_0003206 af-r:AFR_0003206 rdf:type owl:Class ; rdfs:subClassOf iao:_0000310 , [ rdf:type owl:Restriction ; owl:onProperty iao:_0000136 ; owl:someValuesFrom [ owl:intersectionOf ( af-m:AFM_0000077 [ rdf:type owl:Restriction ; owl:onProperty ro:_0000087 ; owl:someValuesFrom af-rl:AFRL_0000497 ] ) ; rdf:type owl:Class ] ] ; skos:definition "A precursor ion document is a document that encompasses the information associated with some precursor ion. [Allotrope]" ; skos:prefLabel "precursor ion document" . ### http://purl.allotrope.org/ontologies/result#AFR_0003207 af-r:AFR_0003207 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0001583 ; skos:definition "An isolation window is a quality quantification facet that describes a range of m/z values which is filtered in a mass spectrometry run to examine some ion of interest via fragmentation. [Allotrope]" ; skos:prefLabel "isolation window" . ### http://purl.allotrope.org/ontologies/result#AFR_0003212 af-r:AFR_0003212 rdf:type owl:Class ; rdfs:subClassOf af-r:AFR_0000984 ; skos:definition "A mass spectrum level is a count of the current stage in a multiple-stage mass spectrometry process. [Allotrope]" ; skos:prefLabel "mass spectrum level" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000495 af-rl:AFRL_0000495 rdf:type owl:Class ; owl:equivalentClass [ owl:intersectionOf ( bfo:_0000023 [ rdf:type owl:Restriction ; owl:onProperty bfo:_0000054 ; owl:someValuesFrom af-p:AFP_0001427 ] ) ; rdf:type owl:Class ] ; rdfs:subClassOf af-rl:AFRL_0000499 ; af-x:AFX_0002798 "true"^^xsd:boolean ; skos:definition "A mass spectrometry role is a role that is realized in mass spectrometry. [Allotrope]" ; skos:prefLabel "mass spectrometry role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000496 af-rl:AFRL_0000496 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000495 , af-rl:AFRL_0000499 , [ rdf:type owl:Restriction ; owl:onProperty ro:_0000081 ; owl:someValuesFrom [ owl:intersectionOf ( af-m:AFM_0000077 [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002735 ; owl:someValuesFrom [ owl:intersectionOf ( bfo:_0000015 [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0000696 ; owl:someValuesFrom [ owl:intersectionOf ( af-m:AFM_0000077 [ rdf:type owl:Restriction ; owl:onProperty ro:_0000087 ; owl:someValuesFrom af-rl:AFRL_0000497 ] ) ; rdf:type owl:Class ] ] ) ; rdf:type owl:Class ] ] ) ; rdf:type owl:Class ] ] ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "product" , "product ion" ; skos:definition "Ion formed as the product of a reaction involving a particular precursor ion. [IUPAC]" ; skos:prefLabel "product ion role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000497 af-rl:AFRL_0000497 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000495 , af-rl:AFRL_0000499 , [ rdf:type owl:Restriction ; owl:onProperty ro:_0000081 ; owl:someValuesFrom [ owl:intersectionOf ( af-m:AFM_0000077 [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0000554 ; owl:someValuesFrom [ owl:intersectionOf ( bfo:_0000015 [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0000546 ; owl:someValuesFrom [ owl:intersectionOf ( af-m:AFM_0000077 [ rdf:type owl:Restriction ; owl:onProperty ro:_0000087 ; owl:someValuesFrom af-rl:AFRL_0000496 ] ) ; rdf:type owl:Class ] ] ) ; rdf:type owl:Class ] ] ) ; rdf:type owl:Class ] ] ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "precursor" , "precursor ion" , "precursor role" , "progenitor" , "progenitor ion" , "progenitor ion role" ; skos:definition "Precursor ion role is a role in mass spectrometry inhered in an ion that reacts to form particular product ions or undergoes specified neutral losses. The reaction can be of different types including unimolecular dissociation, ion/molecule reaction, change in charge state, possibly preceded by isomerization. [IUPAC]" ; skos:prefLabel "precursor ion role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000500 af-rl:AFRL_0000500 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000166 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002726 ; owl:someValuesFrom af-r:AFR_0001861 ] ; skos:altLabel "qualifier transition" ; skos:definition "A qualifier transition is the contextual role of an ion transition which when compared to the quantifier transition is used to determine the validity of the result. [Allotrope]" ; skos:prefLabel "qualifier transition role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000501 af-rl:AFRL_0000501 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000166 , [ rdf:type owl:Restriction ; owl:onProperty af-x:AFX_0002726 ; owl:someValuesFrom af-r:AFR_0001861 ] ; skos:altLabel "quantifier transition" ; skos:definition "A quantifier transition is the contextual of an ion transition, that is used to calculate the measured result. [Allotrope]" ; skos:prefLabel "quantifier transition role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000502 af-rl:AFRL_0000502 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000166 ; skos:altLabel "qualified transition" ; skos:definition "Qualified transition role is the contextual role of an ion transition that asserts that the transition meets some qualification requirements. [Allotrope]" ; skos:prefLabel "qualified transition role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000516 af-rl:AFRL_0000516 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000085 , af-rl:AFRL_0000495 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "chemical ionization reagent gas" , "reagent role" ; skos:definition "Reagent role is the role of a gas that reacts with ions to produce product ions through ion/molecule reactions; for example, a gas such as methane, ammonia, or isobutane used in chemical ionization to create reagent ions or a gas used in ion traps or collision cells to perform gas-phase ion/molecule reactions. [IUPAC]" ; skos:prefLabel "reagent role (ms)" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000517 af-rl:AFRL_0000517 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000495 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "adduct" , "adduct ion" , "adduct role" ; skos:definition "Adduct ion role is the role of an ion formed by the interaction of a precursor ion with one or more atoms or molecules to form an ion containing all the constituent atoms of the precursor ion as well as the additional atoms from the associated atoms or molecules. [IUPAC]" ; skos:example "For example, a Na+ adduct of a molecule (M) that is represented as [M + Na]+." ; skos:prefLabel "adduct ion role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000518 af-rl:AFRL_0000518 rdf:type owl:Class ; rdfs:subClassOf af-rl:AFRL_0000496 ; dct:license ; dct:rights ; dct:source "K. K. Murray, R. K. Boyd, M. N. Eberlin, G. J. Langley, L. Li and Y. Naito, Pure Appl. Chem., 2013, 85, 1515-1609" ; skos:altLabel "fragment" , "fragment ion" ; skos:definition "A fragment ion role is a product ion role of an ion that results from the dissociation of a precursor ion. [IUPAC]" ; skos:prefLabel "fragment ion role" . ### http://purl.allotrope.org/ontologies/role#AFRL_0000549 af-rl:AFRL_0000549 rdfs:subClassOf [ rdf:type owl:Restriction ; owl:onProperty bfo:_0000054 ; owl:someValuesFrom af-p:AFP_0003813 ] . ################################################################# # Individuals ################################################################# ### http://www.allotrope.org rdf:type owl:NamedIndividual , foaf:Organization ; foaf:name "Allotrope Foundation" . ### http://purl.allotrope.org/voc/attribution rdf:type owl:NamedIndividual , dct:RightsStatement ; dct:description """ These taxonomies contain material or may constitute derivative works of material which may be subject to copyright by one of the following organizations. By using these taxonomies, you agree to the following terms and conditions applicable to its contents: ****************************************************************************** Copyright Notice and Terms for IUPAC Gold Book ______________________________________________________________________________ Copyright © 1998, Regents of the University of California All rights reserved. Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. 2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution. THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS \"AS IS\" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. ****************************************************************************** Copyright Notice and Terms for PSI-MS (Proteomics Standards Initiative - Mass Spectrometry) Mass spectrometer output files and spectra interpretation _____________________________________________________________________________ Created by Matt Chambers, Andreas Bertsch, Marius Kallhardt, Eric Deutsch Fredrik Levander, Pierre-Alain Binz, and Gerhard Mayer. Publisher: HUPO Proteomics Standards Initiative Mass Spectrometry Standards Working Group and HUPO Proteomics Standards Initiative Proteomics Informatics Working Group. This work is used pursuant to a Creative Commons license available here: http://creativecommons.org/licenses/by/3.0/legalcode ****************************************************************************** Attribution Notice for National Center for Biomedical Ontology materials. This work contains material from the Cell Ontology and Clinical Measurement Ontology, available here: http://bioportal.bioontology.org/. ****************************************************************************** Attribution Notice for ChEBI This work contains material from the European Bioinformatics Institute’s ChEBI database. ****************************************************************************** Attribution Notice for Quantities Units Dimensions Data Types (http://www.qudt.org/) This work contains content from www.qudt.org and is used pursuant to a Creative Commons License available here: http://creativecommons.org/licenses/by-sa/3.0/us/legalcode. The original work may have been modified. ****************************************************************************** Copyright and Attribution Notice for Dublin Core Metadata Initiative Document This work contains material from the following DCMI document used pursuant to a creative commons license available here: https://creativecommons.org/licenses/by/4.0/legalcode. This material may have been modified or changed. Timestamped URL: http://dublincore.org/documents/2012/06/14/dcmi-terms/ Date Issued: 2012-06-14 Document Status: This is a DCMI Recommendation. Copyright © 1995-2015 DCMI. All Rights Reserved. DCMI liability, trademark/service mark, document use and software licensing rules apply. ****************************************************************************** """ ; dct:title "Derivative works attribution" . ### http://purl.allotrope.org/voc/copyright rdf:type owl:NamedIndividual , dct:RightsStatement ; dct:description "Copyright © 2015-2026 Allotrope Foundation" ; dct:rightsHolder ; dct:title "Copyright © 2015-2026 Allotrope Foundation" . ### http://purl.allotrope.org/voc/creative-commons-attribution-license rdf:type owl:NamedIndividual , dct:LicenseDocument ; dct:description """This work is licensed under a Creative Commons Attribution 4.0 International License http://creativecommons.org/licenses/by/4.0/. THESE MATERIALS ARE PROVIDED \"AS IS\" AND ALLOTROPE EXPRESSLY DISCLAIMS ALL WARRANTIES, EXPRESS, IMPLIED OR STATUTORY, INCLUDING, WITHOUT LIMITATION, THE WARRANTIES OF NON-INFRINGEMENT, TITLE, MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. Copyright © 2015-2026 Allotrope Foundation """ ; dct:title "Creative Commons Attribution 4.0 International Public License" . ### http://purl.allotrope.org/voc/iupac-copyright rdf:type owl:NamedIndividual , dct:RightsStatement ; dct:description "Copyright (c) 2019 International Union of Pure Applied Chemistry" . ### http://purl.allotrope.org/voc/iupac-license rdf:type owl:NamedIndividual , dct:LicenseDocument ; dct:description "Reproduced by permission of International Union of Pure and Applied Chemistry" . ################################################################# # Annotations ################################################################# skos:changeNote "2019-09-09 Changed pref label for uniqueness. [Allotrope]" ; skos:prefLabel "mass (quality)" . ### Generated by the OWL API (version 5.5.1) https://github.com/owlcs/owlapi/