Class: GCMS

Gas chromatography-mass spectrometry for volatile compound identification and quantification.

 classDiagram
    class GCMS
    click GCMS href "../../classes/GCMS/"
      ChromatographyMixin <|-- GCMS
        click ChromatographyMixin href "../../classes/ChromatographyMixin/"
      MassRangeMixin <|-- GCMS
        click MassRangeMixin href "../../classes/MassRangeMixin/"
      CharacterizationTechnique <|-- GCMS
        click CharacterizationTechnique href "../../classes/CharacterizationTechnique/"

      GCMS : acquisition_mode

      GCMS : carrier_gas





        GCMS --> "*" ChemicalEntity : carrier_gas
        click ChemicalEntity href "../../classes/ChemicalEntity/"



      GCMS : carrier_gas_purity

      GCMS : column_type

      GCMS : description

      GCMS : eluent





        GCMS --> "*" ChemicalEntity : eluent
        click ChemicalEntity href "../../classes/ChemicalEntity/"



      GCMS : external_standard

      GCMS : has_flow_rate





        GCMS --> "* _recommended_" VolumeFlowRate : has_flow_rate
        click VolumeFlowRate href "../../classes/VolumeFlowRate/"



      GCMS : has_heating_procedure





        GCMS --> "* _recommended_" HeatingProcedure : has_heating_procedure
        click HeatingProcedure href "../../classes/HeatingProcedure/"



      GCMS : has_injection_volume





        GCMS --> "* _recommended_" Volume : has_injection_volume
        click Volume href "../../classes/Volume/"



      GCMS : has_mz_range





        GCMS --> "0..1" QuantitativeRange : has_mz_range
        click QuantitativeRange href "../../classes/QuantitativeRange/"



      GCMS : heating_ramp





        GCMS --> "*" HeatingRate : heating_ramp
        click HeatingRate href "../../classes/HeatingRate/"



      GCMS : inlet_temperature





        GCMS --> "*" Temperature : inlet_temperature
        click Temperature href "../../classes/Temperature/"



      GCMS : internal_standard

      GCMS : maximum_oven_temperature





        GCMS --> "*" Temperature : maximum_oven_temperature
        click Temperature href "../../classes/Temperature/"



      GCMS : minimum_oven_temperature





        GCMS --> "*" Temperature : minimum_oven_temperature
        click Temperature href "../../classes/Temperature/"



      GCMS : rdf_type





        GCMS --> "0..1 _recommended_" DefinedTerm : rdf_type
        click DefinedTerm href "../../classes/DefinedTerm/"



      GCMS : solvent_delay

      GCMS : split_ratio

      GCMS : title

      GCMS : trace_ion_detection

      GCMS : type





        GCMS --> "0..1" DefinedTerm : type
        click DefinedTerm href "../../classes/DefinedTerm/"

Inheritance

Plan [ ClassifierMixin]
- CharacterizationTechnique
  - GCMS [ ChromatographyMixin MassRangeMixin]

Slots

Name	Cardinality and Range	Description	Inheritance
carrier_gas	* ChemicalEntity	Carrier gas used in a process (e.g. in GC analysis or ALD deposition).	direct
carrier_gas_purity	* String	Purity grade of the carrier gas used in GC.	direct
inlet_temperature	* Temperature	GC inlet temperature.	direct
minimum_oven_temperature	* Temperature	Minimum oven temperature in GC temperature programme.	direct
maximum_oven_temperature	* Temperature	Maximum oven temperature in GC temperature programme.	direct
heating_ramp	* HeatingRate	Temperature ramp rate in GC oven programme.	direct
has_heating_procedure	* recommended HeatingProcedure	Heating procedure or thermal programme applied.	direct
acquisition_mode	* String	Mass spectrometer acquisition mode (e.g. full scan, SIM, SRM).	direct
solvent_delay	* Float	Solvent delay time before MS acquisition begins.	direct
trace_ion_detection	* String	Trace ion detection setting or threshold.	direct
split_ratio	* Float	Split ratio at the GC injector.	direct
column_type	* String	Type of chromatographic column used.	ChromatographyMixin
eluent	* ChemicalEntity	Eluent or mobile phase used in chromatography.	ChromatographyMixin
has_flow_rate	* recommended VolumeFlowRate	Volumetric flow rate of a gas or liquid.	ChromatographyMixin
has_injection_volume	* recommended Volume	Volume injected in a chromatographic or mass spectrometric analysis.	ChromatographyMixin
external_standard	* String	External standard used for quantification or calibration.	ChromatographyMixin
internal_standard	* String	Internal standard used for quantification or calibration.	ChromatographyMixin
has_mz_range	0..1 QuantitativeRange	Mass-to-charge ratio scan range (minimum -> maximum m/z) as a QuantitativeRange. The unit for m/z is dimensionless (Thomson); set unit to the appropriate QUDT term.	MassRangeMixin
title	0..1 String	This slot is described in more detail within the class in which it is used.	Plan
description	0..1 String	This slot is described in more detail within the class in which it is used.	Plan
type	0..1 DefinedTerm	This slot is described in more detail within the class in which it is used.	ClassifierMixin
rdf_type	0..1 recommended DefinedTerm	The slot to specify the ontology class that is instantiated by an entity.	ClassifierMixin

Identifier and Mapping Information

Schema Source

from schema: https://w3id.org/nfdi4cat/coremeta4cat

Mappings

Mapping Type	Mapped Value
self	CHMO:0000497
native	coremeta4cat:GCMS

LinkML Source

Direct

name: GCMS
description: Gas chromatography-mass spectrometry for volatile compound identification
  and quantification.
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
is_a: CharacterizationTechnique
mixins:
- ChromatographyMixin
- MassRangeMixin
slots:
- carrier_gas
- carrier_gas_purity
- inlet_temperature
- minimum_oven_temperature
- maximum_oven_temperature
- heating_ramp
- has_heating_procedure
- acquisition_mode
- solvent_delay
- trace_ion_detection
- split_ratio
class_uri: CHMO:0000497

Induced

name: GCMS
description: Gas chromatography-mass spectrometry for volatile compound identification
  and quantification.
from_schema: https://w3id.org/nfdi4cat/coremeta4cat
is_a: CharacterizationTechnique
mixins:
- ChromatographyMixin
- MassRangeMixin
attributes:
  carrier_gas:
    name: carrier_gas
    description: Carrier gas used in a process (e.g. in GC analysis or ALD deposition).
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:carrier_gas
    alias: carrier_gas
    owner: GCMS
    domain_of:
    - AtomicLayerDeposition
    - ElementalAnalysis
    - ElectroSprayIonizationMassSpectrometry
    - GCMS
    range: ChemicalEntity
    multivalued: true
    inlined: true
    inlined_as_list: true
  carrier_gas_purity:
    name: carrier_gas_purity
    description: Purity grade of the carrier gas used in GC.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:carrier_gas_purity
    alias: carrier_gas_purity
    owner: GCMS
    domain_of:
    - GCMS
    range: string
    multivalued: true
  inlet_temperature:
    name: inlet_temperature
    description: GC inlet temperature.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:inlet_temperature
    alias: inlet_temperature
    owner: GCMS
    domain_of:
    - GCMS
    range: Temperature
    multivalued: true
    inlined: true
    inlined_as_list: true
  minimum_oven_temperature:
    name: minimum_oven_temperature
    description: Minimum oven temperature in GC temperature programme.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:minimum_oven_temperature
    alias: minimum_oven_temperature
    owner: GCMS
    domain_of:
    - GCMS
    range: Temperature
    multivalued: true
    inlined: true
    inlined_as_list: true
  maximum_oven_temperature:
    name: maximum_oven_temperature
    description: Maximum oven temperature in GC temperature programme.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:maximum_oven_temperature
    alias: maximum_oven_temperature
    owner: GCMS
    domain_of:
    - GCMS
    range: Temperature
    multivalued: true
    inlined: true
    inlined_as_list: true
  heating_ramp:
    name: heating_ramp
    description: Temperature ramp rate in GC oven programme.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: VOC4CAT:0008116
    alias: heating_ramp
    owner: GCMS
    domain_of:
    - GCMS
    range: HeatingRate
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_heating_procedure:
    name: has_heating_procedure
    description: Heating procedure or thermal programme applied.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_qualitative_attribute
    slot_uri: SIO:000008
    alias: has_heating_procedure
    owner: GCMS
    domain_of:
    - TemperatureProgramMixin
    - GCMS
    range: HeatingProcedure
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  acquisition_mode:
    name: acquisition_mode
    description: Mass spectrometer acquisition mode (e.g. full scan, SIM, SRM).
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:acquisition_mode
    alias: acquisition_mode
    owner: GCMS
    domain_of:
    - GCMS
    range: string
    multivalued: true
  solvent_delay:
    name: solvent_delay
    description: Solvent delay time before MS acquisition begins.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:solvent_delay
    alias: solvent_delay
    owner: GCMS
    domain_of:
    - GCMS
    range: float
    multivalued: true
    unit:
      ucum_code: min
  trace_ion_detection:
    name: trace_ion_detection
    description: Trace ion detection setting or threshold.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:trace_ion_detection
    alias: trace_ion_detection
    owner: GCMS
    domain_of:
    - GCMS
    range: string
    multivalued: true
  split_ratio:
    name: split_ratio
    description: Split ratio at the GC injector.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:split_ratio
    alias: split_ratio
    owner: GCMS
    domain_of:
    - GCMS
    range: float
    multivalued: true
  column_type:
    name: column_type
    description: Type of chromatographic column used.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:column_type
    alias: column_type
    owner: GCMS
    domain_of:
    - ChromatographyMixin
    range: string
    multivalued: true
  eluent:
    name: eluent
    description: Eluent or mobile phase used in chromatography.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: AFRL:0000011
    alias: eluent
    owner: GCMS
    domain_of:
    - ChromatographyMixin
    range: ChemicalEntity
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_flow_rate:
    name: has_flow_rate
    description: Volumetric flow rate of a gas or liquid.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_quantitative_attribute
    slot_uri: SIO:000008
    alias: has_flow_rate
    owner: GCMS
    domain_of:
    - FlameSprayPyrolysis
    - ChromatographyMixin
    - DRIFTS
    - ElectroSprayIonizationMassSpectrometry
    range: VolumeFlowRate
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  has_injection_volume:
    name: has_injection_volume
    description: Volume injected in a chromatographic or mass spectrometric analysis.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    is_a: has_volume
    slot_uri: SIO:000008
    alias: has_injection_volume
    owner: GCMS
    domain_of:
    - ChromatographyMixin
    range: Volume
    recommended: true
    multivalued: true
    inlined: true
    inlined_as_list: true
  external_standard:
    name: external_standard
    description: External standard used for quantification or calibration.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:external_standard
    alias: external_standard
    owner: GCMS
    domain_of:
    - ChromatographyMixin
    range: string
    multivalued: true
  internal_standard:
    name: internal_standard
    description: Internal standard used for quantification or calibration.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:internal_standard
    alias: internal_standard
    owner: GCMS
    domain_of:
    - ChromatographyMixin
    range: string
    multivalued: true
  has_mz_range:
    name: has_mz_range
    description: 'Mass-to-charge ratio scan range (minimum -> maximum m/z) as a QuantitativeRange.

      The unit for m/z is dimensionless (Thomson); set unit to the appropriate QUDT
      term.'
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: coremeta4cat:hasMzRange
    alias: has_mz_range
    owner: GCMS
    domain_of:
    - MassRangeMixin
    range: QuantitativeRange
    inlined: true
  title:
    name: title
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:title
    alias: title
    owner: GCMS
    domain_of:
    - QuantitativeRange
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - DefinedTerm
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
  description:
    name: description
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:description
    alias: description
    owner: GCMS
    domain_of:
    - QuantitativeRange
    - Activity
    - AgenticEntity
    - Any
    - Attribution
    - Catalogue
    - CatalogueRecord
    - ChecksumAlgorithm
    - Concept
    - ConceptScheme
    - DataService
    - Dataset
    - DatasetSeries
    - Distribution
    - Document
    - Entity
    - Frequency
    - Geometry
    - Identifier
    - LegalResource
    - LicenseDocument
    - LinguisticSystem
    - MediaType
    - MediaTypeOrExtent
    - PeriodOfTime
    - Plan
    - Policy
    - ProvenanceStatement
    - QualitativeAttribute
    - QuantitativeAttribute
    - Resource
    - RightsStatement
    - Role
    - Standard
    - SupportiveEntity
    - Surrounding
    - TimeInstant
    range: string
  type:
    name: type
    description: This slot is described in more detail within the class in which it
      is used.
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: dcterms:type
    alias: type
    owner: GCMS
    domain_of:
    - Agent
    - ClassifierMixin
    - Dataset
    - LicenseDocument
    range: DefinedTerm
    inlined: true
  rdf_type:
    name: rdf_type
    description: The slot to specify the ontology class that is instantiated by an
      entity.
    in_subset:
    - domain_agnostic_core
    from_schema: https://w3id.org/nfdi4cat/coremeta4cat
    rank: 1000
    slot_uri: rdf:type
    alias: rdf_type
    owner: GCMS
    domain_of:
    - ClassifierMixin
    range: DefinedTerm
    recommended: true
    inlined: true
class_uri: CHMO:0000497