Object[Method, MassAcquisition]
A set of parameters used to conduct acquisition on a mass spectrometer.
Organizational Information
Name
Name of this Object.
Format: Single
Class: String
Programmatic Pattern: _String
Pattern Description: A string.
ID
ID of this Object.
Format: Single
Class: String
Programmatic Pattern: _String
Pattern Description: The ID of this object.
Object
Object of this Object.
Format: Single
Class: Expression
Programmatic Pattern: Object[Method, MassAcquisition, _String]
Pattern Description: The object reference of this object.
Type
Type of this Object.
Format: Single
Class: Expression
Programmatic Pattern: Object[Method, MassAcquisition]
Pattern Description: Object[Method, MassAcquisition]
Notebook
Notebook this object belongs to.
Format: Single
Class: Link
Programmatic Pattern: _Link
Pattern Description: An object of that matches ObjectP[Object[LaboratoryNotebook]].
Relation: Object[LaboratoryNotebook][Objects]
General
Template
The method whose option selections should be selected as the default options for this method.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method][MethodsTemplated]
MethodsTemplated
Methods which were generated using this method's options as a starting point for its option defaults.
Format: Multiple
Class: Link
Programmatic Pattern: _Link
Relation: Object[Method][Template]
MassAnalyzer
The type of the component of the mass spectrometer that performs ion separation based on m/z (mass-to-charge ratio). QTOF accelerates ions through a flight tube and resolves by their flight time.
Format: Single
Class: Expression
Programmatic Pattern: MassAnalyzerTypeP
Ionization
IonSource
The type of ionization used to create gas phase ions from the molecules in the sample. Electrospray ionization (ESI) produces ions using an electrospray in which a high voltage is applied to a liquid to create an aerosol, and gas phase ions are formed from the fine spray of charged droplets as a result of solvent evaporation and Coulomb fission.
Format: Single
Class: Expression
Programmatic Pattern: IonSourceP
ESICapillaryVoltage
The applied voltage differential between the injector and the inlet for the mass spectrometry in order to ionize analyte molecules.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
DesolvationTemperature
The temperature setting for the ESI desolvation heater that controls the nitrogen gas temperature used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
SourceTemperature
The temperature that the source block is set to in order to discourage condensation and decrease solvent clustering in the reduced vacuum region of the source.
The source block is the metallic chamber with reduced pressure separating the sprayer (at atmospheric pressure) and the inside of the mass spectrometer (at 10^-7 Torr of pressure). It consists of the sampling cone, the isolation valve, and the ion block. The source temperature setting affects sensitivity.
Format: Single
Class: Real
Unit: 1 degree Celsius
Programmatic Pattern: GreaterP[0 Celsius]
DeclusteringVoltage
The applied voltage between the sample inlet on the mass spectrometry and the first stage of the ion filter.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
ConeGasFlow
The rate of nitrogen gas flow ejected around the sample inlet cone (the spherical metal plate on the source block, acting as a first gate between the sprayer and the reduced-pressure ion block). This gas flow is used to minimize the formation of solvent ion clusters. It also helps reduce adduct ions and directs the spray into the ion block while keeping the sample cone clean.
Format: Single
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
DesolvationGasFlow
The nitrogen gas flow ejected around the ESI (electrospray ionization) capillary, used for solvent evaporation to produce single gas phase ions from the ion spray.
Format: Single
Class: VariableUnit
Programmatic Pattern: 1 Liter
Hold[GreaterP[-------] | GreaterP[0 PSI]]
Hour
StepwaveVoltage
The applied voltage between the two stages of the ion filter.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
IonMode
The polarity of the charged analyte.
Format: Single
Class: Expression
Programmatic Pattern: IonModeP
IonGuideVoltage
The absolute voltage applied to the tip of the stainless steel ESI (electrospray ionization) capillary tubing in order to produce charged droplets. This is an unique option for ESI-QQQ, and also referred as IonSprayVoltages.
Format: Single
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
Sample Preparation
Calibrant
The sample with known mass-to-charge ratios used to calibrate the mass spectrometer.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Model[Sample]
SecondCalibrant
The second sample with known mass-to-charge ratios used to calibrate the mass spectrometer.
Format: Single
Class: Link
Programmatic Pattern: _Link
Relation: Model[Sample]
Mass Analysis
AcquisitionWindows
The time blocks to acquire measurement.
Format: Multiple
[StartTime]
Header: StartTime
Class: Real
Unit: 1 minute
[EndTime]
Header: EndTime
Class: Real
Unit: 1 minute
AcquisitionModes
For each member of AcquisitionWindows, the manner of scanning and/or fragmenting intact and resultant ions.
Format: Multiple
Class: Expression
Programmatic Pattern: MSAcquisitionModeP
Fragmentations
For each member of AcquisitionWindows, indicates whether the intact ions collide with inert gas to dissociate into product ions. Also known as Tandem mass spectrometry or MS/MS.
Format: Multiple
Class: Boolean
Programmatic Pattern: BooleanP
MinMasses
For each member of AcquisitionWindows, the lowest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterEqualP[------]]
Mole
MaxMasses
For each member of AcquisitionWindows, the highest measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
MassSelections
For each member of AcquisitionWindows, all of the measured or selected mass-to-charge ratio (m/z) intact ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{GreaterP[------]..}]
Mole
ScanTimes
For each member of AcquisitionWindows, the duration of time allowed to pass between each spectral acquisition.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
FragmentMinMasses
For each member of AcquisitionWindows, the lowest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterEqualP[------]]
Mole
FragmentMaxMasses
For each member of AcquisitionWindows, the highest measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
FragmentMassSelections
For each member of AcquisitionWindows, all of the measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{GreaterP[------]..}]
Mole
CollisionEnergies
For each member of AcquisitionWindows, all of the measured or selected mass-to-charge ratio (m/z) dissociation product ions.
Format: Multiple
Class: Expression
Programmatic Pattern: {UnitsP[0 Volt]..} | UnitsP[0 Volt]
LowCollisionEnergies
For each member of AcquisitionWindows, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
HighCollisionEnergies
For each member of AcquisitionWindows, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
FinalLowCollisionEnergies
For each member of AcquisitionWindows, at the end of the spectral scan, the lowest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
FinalHighCollisionEnergies
For each member of AcquisitionWindows, at the end of the spectral scan, the highest value of the linear function for applied potential as mapped to the MinMass.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: GreaterP[0 Volt]
FragmentScanTimes
For each member of AcquisitionWindows, the duration of time allowed to pass between each spectral acquisition for the product ions when AcquistionMode -> DataDependent.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
AcquisitionSurveys
For each member of AcquisitionWindows, indicates the number of intact ions to consider for fragmentation and acquisition in DataDependent acquistion mode.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
MinimumThresholds
For each member of AcquisitionWindows, the least number of total intact ions needed to be measured to elicit an acquisition program.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
AcquisitionLimits
For each member of AcquisitionWindows, the maximum number measured ions allowed during a fragmentation measurement of a survey ion. Will proceed to the next intact ion/fragmentation once reached.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterP[0, 1]
CycleTimeLimits
For each member of AcquisitionWindows, the maximum duration allowable for a survey. Will proceed to the next cycle once reached.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
ExclusionDomains
For each member of AcquisitionWindows, the time blocks within to consider for specific mass exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {{UnitsP[Minute], UnitsP[Minute]}..}
ExclusionMasses
For each member of AcquisitionWindows, indicates the manner of omitting intact ions for acquisition survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{{ExclusionModeP, GreaterP[------]}..}]
Mole
ExclusionMassTolerances
For each member of AcquisitionWindows, the range above and below each ion in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ExclusionRetentionTime Tolerances
For each member of AcquisitionWindows, the range above and below each retention time in ExclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 second
Programmatic Pattern: GreaterP[0 Second]
InclusionDomains
For each member of AcquisitionWindows, the time blocks within to consider for specific mass inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {{UnitsP[Minute], UnitsP[Minute]}..}
InclusionMasses
For each member of AcquisitionWindows, the intact ions to prioritize during survey acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: 0 Gram
Hold[{{InclusionModeP, GreaterP[------]}..}]
Mole
InclusionCollisionEnergies
For each member of AcquisitionWindows, the overriding collision energy to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Volt]..}
InclusionDeclusteringVoltages
For each member of AcquisitionWindows, the overriding source voltage to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Volt]..}
InclusionChargeStates
For each member of AcquisitionWindows, the charge state isotopes to also consider for inclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0, 1]..}
InclusionScanTimes
For each member of AcquisitionWindows, the overriding scan time to use for the corresponding InclusionMass.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[0 Second]..}
InclusionMassTolerances
For each member of AcquisitionWindows, the range above and below each ion in InclusionMassSelection to consider for omission.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
ChargeStateLimits
For each member of AcquisitionWindows, the number of ions to survey before excluding for ion state properties.
Format: Multiple
Class: Integer
Programmatic Pattern: GreaterEqualP[0, 1]
ChargeStateSelections
For each member of AcquisitionWindows, the specific ionic states of intact ions to redundantly exclude from the survey for further fragmentation/acquisition.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterEqualP[1, 1]..}
ChargeStateMassTolerances
For each member of AcquisitionWindows, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
IsotopeMassDifferences
For each member of AcquisitionWindows, the delta between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0 Dalton]..}
IsotopeRatios
For each member of AcquisitionWindows, the minimum relative magnitude between monoisotopic ions as a criterion for survey exclusion.
Format: Multiple
Class: Expression
Programmatic Pattern: {GreaterP[0]..}
IsotopeDetectionMinimums
For each member of AcquisitionWindows, the acquisition rate of a given intact mass to consider for isotope exclusion in the survey.
Format: Multiple
Class: Expression
Programmatic Pattern: 1
Hold[{GreaterP[0 ------]..}]
Second
IsotopeRatioTolerances
For each member of AcquisitionWindows, the range of relative magnitude around IsotopeRatio and SecondaryIsotopeRatio to consider for isotope exclusion.
Format: Multiple
Class: Real
Unit: 1 percent
Programmatic Pattern: GreaterP[0 Percent]
IsotopeMassTolerances
For each member of AcquisitionWindows, the range of m/z to consider for exclusion by ionic state property.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: GreaterP[0 Dalton]
CollisionCellExitVoltages
For each member of AcquisitionWindows, if the sample will be scanned in tandem mass spectrometry mode in ESI-QQQ, the value of the potential applied between collision cell and the second Quadrupole mass analyzer (MS2) to guide and focus the ion beam into MS2.
Format: Multiple
Class: Real
Unit: 1 volt
Programmatic Pattern: UnitsP[0 Volt]
MassDetectionStepSizes
For each member of AcquisitionWindows, the mass-to-charge value at which the mass spectrometer will record a data of the mass scan.
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
NeutralLosses
In ESI-QQQ analysis, if the sample will be scanned in tandem mass spectrometry mode with Neutral Ion Loss mode, the value for the mass offset values between MS1 and MS2 (neutral ion loss value.).
Format: Multiple
Class: Real
Unit: 1 gram per mole
Programmatic Pattern: 0 Gram
Hold[GreaterP[------]]
Mole
DwellTimes
For each member of AcquisitionWindows, if the sample will be scan in SelectedIonMonitoring mode or MultipleReactionMonitoring mode, the length of time for each mass selection or mass selection pairs.
Format: Multiple
Class: Expression
Programmatic Pattern: {({GreaterP[0 Millisecond]..} | GreaterP[0 Millisecond] | Null)..}
MultipleReactionMonitoring Assays
For each member of AcquisitionWindows, in ESI-QQQ, that firstly targets the ion corresponding to the compound of interest with subsequent fragmentation of that target ion to produce a range of daughter ions. One (or more) of these fragment daughter ions can be selected for quantitation purposes. Only compounds that meet both these criteria, i.e. specific parent ion and specific daughter ions corresponding to the mass of the molecule of interest are detected within the mass spectrometer. The mass assays (MS1/MS2 mass value combinations) for each scan, along with the CollisionEnergy and dwell time (length of time of each scan).
Format: Multiple
[MS1Mass]
Header: MS1Mass
Class: Expression
[CollisionEnergy]
Header: CollisionEnergy
Class: Expression
[MS2Mass]
Header: MS2Mass
Class: Expression
[DwellTime]
Header: DwellTime
Class: Expression
Last modified on Mon 26 Sep 2022 15:43:47