Assembly for operating ion spectrometry

Abstract

The invention relates to assemblies for operating ion spectrometry, such as ion mobility spectrometry or mass spectrometry, and, in particular, to those assemblies operating in conjunction with ion sources using ambient ionization, and, further in particular, using the principle of Direct Analysis in Real Time (DART®). An assembly according to the disclosure enhances and improves calibration of an ion analyzer being coupled with the assembly.

Description

ASSEMBLY FOR OPERATING ION SPECTROMETRYBACKGROUND OF THE INVENTIONField of the Invention

[0001] The invention relates to assemblies for operating ion spectrometry and, in particular, to those assemblies operating in conjunction with ion sources using ambient ionization, and, further in particular, using the principle of Direct Analysis in Real Time (DART®).Description of the Related Art

[0002] The Prior Art is explained hereinafter with reference to a special aspect.However, this should not be construed as limiting the invention disclosed below. Useful further developments and modifications of what is known from the Prior Art may also be applicable beyond the comparatively narrow scope of this introduction and will become readily apparent to skilled practitioners in the field after reading the disclosure of the invention following this introduction.

[0003] Mass spectrometers provide indirect measurements of chemical mass-to-charge ratio m / z. They directly measure ion current transients, e.g., dispersed according to time-of-flight or as a function of radio frequency (RF) voltages applied to suitable electrodes, such as in the case of a triple quadrupole rod assembly or an RF ion trap. Thus, a mass calibration is required that consists of one or more known chemical compounds to transform the direct measurement into mass-to-charge units which can be expressed in Thomson (Th).

[0004] Mass spectrometers often have a means with which to add one or more calibration compounds regularly and reproducibly to the system. The compounds should be detectable at high signal-to-noise by the method and stable for a given period.Importantly, the calibration compounds should also provide signals encompassing the mass-to-charge range of interest, e.g., 0-300 Th, or 100-1000 Th, or 500-5000 Th.

[0005] For gas chromatograph-mass spectrometer (GC-MS) systems, for instance, the calibration compounds can be infused from the evaporation of a volatile liquid in a vial. Calibration compounds of this type tend to be non-polar and volatile and are well-suited for GC-MS analysis. They are less suited for ambient ionization methods that analyze non-polar and semi- or low-volatility chemicals.

[0006] For electrospray ionization (ESI) sources, the calibration compounds can be infused through a syringe or a pressurized bottle. Neither of these methods is effective for an ambient ionization source such as Direct Analysis in Real Time (DART®).Infusing a liquid calibration compound into an ambient ionization source that desorbs condensed phase chemical is difficult to accomplish at a steady and defined rate. Many ambient ionization sources do not form clusters as readily as with ESI, so the same calibration compounds often do not provide enough ions that cover the m / z-range of interest.

[0007] Further, many calibration solutions are toxic, difficult to store (because, e.g., they require freezing), and / or have short shelf lives.

[0008] In the following, without claiming completeness, a body of related art will be presented which illustrates general technological background to the present disclosure:

[0009] The technology Direct Analysis in Real Time (DART®) is discussed in the work by Robert B. Cody et al., Anal. Chem. 2005, 77, 2297-2302.

[0010] The patent document WO 2006 / 123156 A2 presents a method for the calibration of atmospheric pressure ionisation analytical apparatus including means for ionizing a gaseous test sample and comprises supplying to the ionising means a mixture of ionizable calibration compounds in solid form, the compounds having respective ionized species of known different molecular weights. The ionisation may be chemical ionisation, the apparatus including means for heating the test sample, the calibration compounds being volatile in the heating means. Presented is a mixture of ionizable calibration compounds in solid form for use in calibration of desorption analytical apparatus, the compounds being volatile and having respective species when ionized of known different molecular weights.

[0011] The patent document US 2007 / 0114386 A1 discloses a mass calibration apparatus for a mass spectrometer including a capillary, an analyte ion source coupled to the capillary at a first point, a reference mass ion source coupled to the capillary at a second point, downstream from the first point and a mass analyzer coupled to the capillary at a third point downstream from the first and second points. The referencemass ion source may be coupled to the capillary via a tee junction. The reference mass ion source includes a chamber, an ionization device situated within the chamber and one or more reference mass sources that are situated internally within the chamber or are situated external to and coupled to the chamber.

[0012] The U.S. patent 7,855,357 B2 relates to an apparatus and method for introducing calibrant ions into a conduit, ion source and / or mass spectrometry system.

[0013] The U.S. patent 7,737,395 B2 presents apparatuses and methods for ionizing samples that are in gaseous phase or can be vaporized / sublimated. The samples include samples to be analyzed and mass calibrants that serve as standards. In addition, calibrant formulations are disclosed that release mass calibrants in a slow, controlled manner.

[0014] The U.S. patent 9,040,904 B2 discloses an analysis method including the steps of forming a layer including a calibration reagent, that can generate ions by using a DART® ion source apparatus, in a predetermined area of a sample, and performing mass spectrometry on the ions generated from an area of the sample including the layer by using DART® or DESI while moving the sample having the layer formed therein.

[0015] The patent document WO 2015 / 173579 A1 is directed to a process for calibrating a detection apparatus, especially an ion mobility spectrometer, using isoflurane (CAS Reg. No. 26675-46-7) as a chemical standard whereby calibrating the detection apparatus for a known target chemical is based on an evaluation of the experimental data collected for the negative isoflurane monomer ion against the experimental data collected for the negative isoflurane dimer ion.

[0016] The patent document GB 2541 004 A discloses a mass spectrometer or ion imaging apparatus comprising: a first ion source for acquiring an ion image of a target, whereby separate mass spectral data corresponding to different regions and / or different depths of the target are acquired; and a second ion source for generating calibrant, lockmass or reference ions. The second ion source may be arranged downstream of the first ion source, such that both the analyte and calibrant ions are detected simultaneously.

[0017] The patent document WO 2022 / 053801 A1 discloses a method of calibrating and / or tuning a mass spectrometer including the steps of: (i) providing a sample, (ii)producing ions from a surface of the sample by means of an ion-producing method, and (iii) using said ions to calibrate a mass spectrometer, tune a mass spectrometer or a combination thereof, wherein the ion-producing method is desorption electrospray ionisation (DESI). A vacuum-deposited polylactic acid (PLA) glass slide can also be used as a calibration / tuning sample for any ion-producing method, e g. DESI, MALDI or SIMS.

[0018] In view of the foregoing, there is still a need for calibration using improved assemblies for ion spectrometry which, in particular, provide a steady flow of calibrant, allow reproducibility of the calibration within narrow margins and are easy to handle. Further merits and benefits of the present invention will become apparent to those of skill in the art after reading the following disclosure.SUMMARY OF THE INVENTION

[0019] In a first aspect, the invention relates to an assembly for operating ion spectrometry, comprising: - a source unit having an outlet and being designed and configured to produce reactive gaseous species (which may exit through the outlet); -an inlet to a vacuum enclosure, which contains one or more vacuum stages and one or more ion analyzers, the inlet being located spaced apart from, as well as being designed and configured to allow fluid communication with the outlet; - a gas control unit being coupled with the source unit as well as with the vacuum enclosure and further being designed and configured to provide a gas flow which emanates from the outlet, and contains reactive gaseous species; and - a shaped solid phase body encompassing a plurality of calibrant molecular species, being movable into a position substantially opposite the outlet and being further designed and configured to, in such position, provide a fluid passage for the gas flow on its way after having emanated from the outlet, thereby allowing the gas flow to take up, entrain and drag on calibrant molecular species that are at least one of (i) volatilized, (ii) outgassed and (iii) sublimated from the shaped solid phase body, as a result of which gaseous calibrant molecular species react with reactive gaseous species contained within the gas flow and become ionized, and further being designed and configured to allow the gas flow to carry ionized calibrant molecular species toward the inlet.

[0020] The gas control unit may comprise a computing unit, such as a computer or processor, and may be operationally connected to a pressurization source, such as a pressurized process gas container including a valve outlet, at the source unit and to a vacuum source, such as a pump including one or more pumping ports, at the vacuum enclosure. The gas control unit may regulate the degree of pressurization within the source unit and the degree of vacuum within the vacuum enclosure, such that a flow of gas is generated, which emanates from the outlet by an outflow of process gas and reactive gaseous species into the environment at ambient conditions, and, with the aid of the shaped solid phase body, then may be channeled and directed toward the inlet where the lower pressure in the vacuum enclosure may cause gaseous (ionic) matter to be drawn thereinto. On its way through the range of ambient conditions between the outlet and the inlet where the shaped solid phase body may be located, the gas flow takes up, entrains and drags on calibrant molecular species that have outgassed, volatilized and / or sublimated from the shaped solid phase body and allows their reaction with the reactive gaseous species to form ionized calibrant molecular species in the gas-phase. Generally, a pressure differential Ap between the source unit, such as at the location of the outlet, and the vacuum enclosure, such as at the location of the inlet, may be set to a target value taken from among the group including or consisting of (in millibar): 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, and any other suitable pressure differential Ap between about 1 millibar and 10 millibar.

[0021] In various embodiments, the shaped solid phase body may be one of monolithic and made up of multiple parts. Preferably, one of the monolithic shaped solid phase body and at least one of the multiple parts may comprise polymeric matter, such as taken from among the group including or consisting of: (i) a thermoplastic (can be melted and reshaped multiple times without significantly altering its properties), such as acrylonitrile butadiene styrene, polylactic acid, nylon, polyoxymethylene, polycarbonate, polyvinylchloride; (ii) an elastomer (has elastic properties, allowing it to stretch and return to its original shape), such as polydimethylsiloxane; (iii) a thermosetting polymer (once cured, cannot be melted and reshaped), such as bisphenol. One part of the multiple parts may be embodied by an insert which is accommodated within a solid phase receptacle body, which makes up the larger part of the shaped solid phase body,at a position where the gas flow interacts with one or more surfaces of the shaped solid phase body. It is also possible to make the shaped solid phase body from a material which effectively provides for its shape regardless of its suitability as supply of calibrant molecular species, whereas the capacity to outgas, volatilize and / or sublimate of calibrant molecular species may be provided by one or more coatings on one or more of its surfaces, which can be either heated or otherwise supplied with thermal energy and / or exposed to an incident gas flow, which may also be heated.

[0022] In various embodiments, the calibrant molecular species may comprise one or more additives, such as taken from among the group including or consisting of: plasticizers, stabilizers, fillers, flame retardants, dyes and pigments. Additives, which are usually admixed to a main solid phase material (e.g., a polymeric material) for a specific purpose, may have the advantage of being homogeneously distributed within the main solid phase material and may have higher vapor pressure, thereby offering beneficial conditions for steady and uniform outgassing, volatilizing and / or sublimation of calibrant molecular species so that a substantially constant and / or steady rate of calibrant supply can be established.

[0023] In various embodiments, the shaped solid phase body may have been made using one of (i) additive manufacturing, such as 3D printing, (ii) subtractive manufacturing, such as machining, and (iii) injection molding. Additive manufacturing techniques allow the construction of the shaped solid phase body in a wealth of shapes and forms which can be chosen to fit best the specific implementation. Subtractive manufacturing may offer the advantage that its techniques are widely known and applied so that the supply of shaped solid phase bodies can be ensured most reliably, even from various manufacturers. Injection molding, on the other hand, may trump the other mentioned techniques by its process speed.

[0024] In various embodiments, the assembly may further comprise an actuating mechanism which may be coupled to the shaped solid phase body and may further be positioned, designed and configured to remove it from its position substantially opposite the outlet for first periods of time in which no gaseous calibrant molecular species shall be ionized and carried toward the inlet, and to replace it there for second periods of time when gaseous calibrant molecular species shall be ionized and carried toward the inlet.Preferably, the assembly may further comprise a sample presenting unit providing an analytical sample to be processed, being coupled to the actuating mechanism and further being movable into a position substantially opposite the outlet which is substantially identical to the position of the shaped solid phase body during the second periods of time. The actuating mechanism may be embodied by a robotic device, such as a robotic arm, which may reach out to the shaped solid phase body or the sample presenting unit held at different positions in a storing rack and relocate them to a position opposite the inlet or removing them thence, or a rotatable wheel that has slots for both the shaped solid phase body and the sample presenting unit at different circumferential positions so that the first and second periods of time being active may depend on the rotational position of the wheel, which can be rotated to a condition such that the selected member is in a position opposite the outlet.

[0025] In various embodiments, the outlet may comprise an outlet axis and the inlet may comprise an inlet axis, and wherein the outlet axis and the inlet axis may relate spatially to one another in at least one of (i) substantially coinciding, (ii) being offset from one another, such as displaced by a certain distance, and (iii) having an angle therebetween. Preferably, the angle between the outlet axis and the inlet axis may be between substantially 90°, such as a perpendicular alignment, and substantially 180°, such as when the inlet substantially faces the outlet. Generally, an angle between outlet axis and inlet axis may be chosen from among the group including or consisting of (in degrees): 90, 100, 110, 120, 130, 140, 150, 160, 170, 180, and any other suitable angle between about 90° and 180°. A substantially coinciding alignment of outlet axis and inlet axis may provide for highest possible transmission of ionized calibrant molecular species from the shaped solid phase body to the inlet. A not substantially coinciding alignment of outlet axis and inlet axis may assist in reducing the gas load, which enters through the inlet and influences the pumping requirement within the vacuum enclosure.

[0026] In various embodiments, the assembly may further comprise one or more electrodes associated with the inlet and may be designed and configured to guide ionized calibrant molecular species toward and through the inlet, such as by force of attraction when a voltage of suitable polarity is applied, either continually or pulsed.

[0027] In various embodiments, the reactive gaseous species may comprise one of (i) excited gaseous molecular species, such as metastable excited state helium or metastable excited state molecular nitrogen, which facilitate and promote Penning ionization, and (ii) reactive gaseous ionic species, such as ionized solvent clusters. Excited state helium, for example, may react with water vapor to produce hydronium cations. Using electrically neutral and excited gaseous molecular species may enable ionization without direct charge transfer and therefore be more gentle, tending more to preserve the structural integrity of fragile molecules. Using reactive gaseous ionic species, on the other hand, may facilitate higher ionization efficiencies for certain molecule types.

[0028] In various embodiments, the assembly may further comprise an energy generating device being positioned, designed and configured to apply energy to the shaped solid phase body in order to facilitate or promote at least one of (i) volatilization, (ii) outgassing, and (iii) sublimation of calibrant molecular species therefrom into the fluid passage. Preferably, the energy generating device may be positioned, designed and configured to transfer one of (i) heat and (ii) thermal energy to the gas flow before it enters the fluid passage. The gas making up the gas flow emanating from the outlet may take up heat or thermal energy already within the source unit, such as during the generation of reactive gaseous species. By providing a heated gas flow, heat or thermal energy may be introduced into the shaped solid phase body quite localized, thereby promoting the delivery of calibrant molecular species in the gas phase exactly at the location where the gas flow containing reactive gaseous species interacts with the shaped solid phase body. Other means of introducing heat may also be foreseen, however, such as a beam of infrared light impinging on the shaped solid phase body in the area where the gas flow interacts with a surface thereof, for example. In some embodiments, it is possible to heat the whole shaped solid phase body substantially homogeneously, e.g., by coupling it with an electrical thermo-resistor assembly. A heated condition may be present if the temperature of the element or area so heated is substantially above ambient, such as between about 30°C and 500°C, corresponding to between about 303 Kelvin and 773 Kelvin. The temperature established, e.g., at the shaped solid phase body or within the gas flow may be set to a target value taken fromamong the group including or consisting of (in Kelvin): 303, 373, 403, 473, 503, 573, 603, 673, 703, 773, and any other suitable target temperature between about 303 and 773 Kelvin.

[0029] In various embodiments, the one or more ion analyzers may comprise at least one of (i) one or more quadrupole analyzers, such as single or triple quadrupole analyzers, (ii) a time-of-flight analyzer, (iii) an ion cyclotron resonance analyzer, (iv) a Kingdon trap analyzer, such as an Orbitrap® (Thermo Fisher Scientific), (v) an ion trap analyzer, and (vi) an ion mobility analyzer. Preferably, the calibrant molecular species contained within the shaped solid phase body comprise masses that manifest themselves, ideally quite uniformly, across a range taken from among the group including or consisting of (in Thomson, Th): 0-100, 0-300, 0-500, 0-1000, 0-5000, 100-300, 100-500, 100-1000, 100-5000, 300-500, 300-1000, 300-5000, 500-1000, 500-5000, 1000-5000, and any other suitable range between about 0-5000 Thomson. In the alternative or in addition to a mass calibration, the calibrant molecular species may also be well distinguishable by their mobility and therefore be suitable for mobility calibration, if one or more ion analyzers located within one or more vacuum stages in the vacuum enclosure are capable of operating gas-phase ion mobility-resolved.

[0030] In various embodiments, the shaped solid phase body may have substantially tubular form and may provide a flow through fluid passage for the gas flow emanating from the outlet. Preferably, the flow through fluid passage may be one of linear, straight, non-linear, and bent or curved. A tubular form of the shaped solid phase body may ensure tight enclosure of the gas flow containing reactive gaseous species and, after its interaction with one or more surfaces of the shaped solid phase body, (ionized) calibrant molecular species. In so doing, interaction with the ambience, which could introduce external perturbations, such as atmospheric background, may be reduced to a minimum and signal fluctuation may be mitigated. A non-linear, bent or curved design of a tubular shaped solid phase body may further promote interaction of the gas flow containing reactive gaseous species with one or more surfaces of the shaped solid phase body during its flowing through, thereby potentially increasing the uptake, entraining or dragging on of calibrant molecular species. The sensitivity of a calibration may profit therefrom.

[0031] In various embodiments, the shaped solid phase body may be positioned, designed and configured such that the gas flow at least one of (i) impacts, (ii) hits, and (iii) strikes one or more surfaces of the shaped solid phase body. Preferably, the shaped solid phase body may be positioned, designed and configured such that the gas flow intersects the one or more surfaces at a substantially grazing angle, such as 60° or less. A grazing angle may be chosen from among the group including or consisting of (in degrees): 60, 55, 50, 45, 40, 35, 30, 25, 20, 15, 10, 5, and any other suitable grazing angle from a range between about 5 and 60 degrees. A grazing angle may offer good balance between the gas flow contacting the one or more surfaces of the shaped solid phase body and not causing too much redirecting of the gas flow after having contacted and been reflected from the one or more surfaces.

[0032] In some embodiments, the shaped solid phase body of substantially tubular form may comprise a first substantially tapering portion in the nature of a funnel facing the outlet with its wide opening, a second substantially tapering portion in the nature of a substantially mirrored funnel, opening up in a direction away from the first substantially tapering portion, and a substantially constricted portion in between the first substantially tapering portion and the second substantially tapering portion. Preferably, the first substantially tapering portion may be positioned, designed and configured such that the gas flow one of (i) impacts, (ii) hits, and (iii) strikes one or more internal surfaces thereof, before being redirected and passing through the substantially constricted portion and the second substantially tapering portion. Further preferably, the outlet may comprise an outlet axis and the constricted portion may comprise a constricted portion axis, the outlet axis and the constricted portion axis being at least one of (i) inclined toward and (ii) offset from each other. It is further possible, additionally or alternatively, that the constricted portion axis and an inlet axis are one of inclined toward and (slightly or moderately) offset from each other.

[0033] In various embodiments, the first substantially tapering portion may comprise a gas flow-guiding groove in order to better direct the gas flow through the first substantially tapering portion and toward the substantially constricted portion. The substantially constricted portion may have a limited acceptance aperture for receiving gaseous matter, such as having a diameter of a few millimeters taken from among thegroup including or consisting of (in millimeters): 4, 5, 6, 7, 8, 9 or 10, or any other suitable diameter between about 4 millimeters and 10 millimeters.

[0034] In certain embodiments, at least one of the first substantially tapering portion and the second substantially tapering portion may comprise a substantially frusto-conical cavity. Preferably, the substantially frusto-conical cavity may have asymmetric design. The first substantially tapering portion may serve to guide, channel and compress the gas flow containing reactive gaseous species. The first and second substantially tapering portion may be designed and configured such that a protruding part of outlet and inlet, respectively, partially engages therewith, allowing the ion spectrometric assembly members of the source unit, shaped solid phase body and vacuum enclosure being located close to one another, thereby enhancing transmission of gas and gaseous ionic matter therebetween as well as improving the shielding from the environment.

[0035] In various embodiments, the shaped solid phase body may comprise one or more embedded conduits for receiving one or more gaseous reagents at a respective outer entrance end and discharging them at a respective exit end into the fluid passage. An embedded conduit may be located in the shaped solid phase body at one of (i) the first substantially tapering portion, (ii) the second substantially tapering portion, and (iii) the substantially constricted portion. The one or more gaseous reagents may modify a gas-phase chemistry within the fluid passage. A reagent can modify and enable the reactive gaseous species so as to extend the range of molecular species which can be efficiently ionized. Further, some reagents can improve a signal-to-noise ratio by more selectively ionizing compounds of interest while being less effective in ionizing typical interfering background compounds. Examples of reagent atoms or compounds may be taken from among the group including or consisting of: oxygen, ammonia, nitric acid, methyl or ethyl bromide, acetone.

[0036] In a second aspect, the disclosure relates to an ion spectrometer, comprising: -a vacuum enclosure encompassing one or more vacuum stages; - one or more ion analyzers located within the vacuum enclosure; - an assembly for operating ion spectrometry according to an embodiment as hereinbefore described, which is kept under ambient conditions, such as ambient temperature and ambient pressure; and - aguidance and / or control unit which communicates with the assembly for operating ion spectrometry as well as the one or more ion analyzers and is further designed, configured and programmed to execute both ion analysis of a sample in or during first periods of time and calibration of the ion analyzer in or during second periods of time.BRIEF DESCRIPTION OF THE DRAWINGS

[0037] The invention can be better understood by referring to the following figures. The elements in the figures are not necessarily to scale, emphasis instead being placed upon illustrating the principles of the invention (often schematically). Like elements are designated with like numerals through the different views:

[0038] Figure 1 schematically depicts a first embodiment of an assembly for operating ion spectrometry, including a monolithic shaped solid phase body, according to the present disclosure.

[0039] Figure 2 schematically presents a second embodiment of an assembly for operating ion spectrometry, including a shaped solid phase body made up of a receptacle body and an insert, according to the present disclosure.

[0040] Figure 3 schematically presents a third embodiment of an assembly for operating ion spectrometry, including a shaped solid phase body encompassing a fluid passage with 90° bend, according to the present disclosure.

[0041] Figure 4 schematically illustrates an embodiment of a particular shaped solid phase body, including a gas flow-guiding groove at an initial first substantially tapering portion, conforming to the present disclosure, once in an isometric view (left) and once in a transparent view (right).

[0042] Figure 5 shows the shaped solid phase body from Figure 4 in a sectional side view.

[0043] Figure 6 presents a mass spectrum containing a plurality of ion signals for calibration, derived from an additive in polymeric matter.DETAILED DESCRIPTION

[0044] While the invention has been shown and described with reference to a number of different embodiments thereof, it will be recognized by those skilled in the art thatvarious changes in form and detail may be made herein without departing from the scope of the invention as defined by the appended claims.

[0045] Figure 1 shows schematically a first representative embodiment of the present invention. The exemplary assembly for operating ion spectrometry 10 contains a source unit 12 for generating reactive gaseous species, such as in the nature of a DART® source. The reactive gaseous species may comprise excited gaseous molecular species, such as metastable excited state helium (He*) which reacts with water vapor (H2O) to produce hydronium ions (HsO+) which, due to their high reactivity, are well suited reagents for protonation of neutral molecules. In alternative embodiments, the reactive gaseous species may comprise metastable excited state molecular nitrogen, or reactive gaseous ionic species, such as ionized solvent clusters.

[0046] The source unit 12 is controlled by a gas control unit (not shown) to be supplied with one or more process gases from one or more pressurized containers or bottles (not shown). The total pressure within the source unit 12 may be above atmospheric or ambient pressure patm, such as in the range of 1-20 millibar above atmospheric or ambient pressure, which usually fluctuates around about 1000 millibar or 1013 hectopascal. The pressurization within the source unit 12 produces an outflow of process gas 14 through an outlet 16 of the source unit 12, containing reactive gaseous species, dependent on the source mechanism used within the source unit 12. The gas flow 14 may be heated to temperatures substantially above ambient temperature (Therm.). The outlet 16 may take the form of one or more constricted openings, such as one or more nozzles.

[0047] A vacuum enclosure 18 is located opposite the source unit 12 and has an inlet 20 for receiving gas and gaseous ionic species contained therein. The pressure in the vacuum enclosure 18 coupled to the inlet 20 may be in the range of 10-100 millibar below atmospheric or ambient pressure at a position close to the inlet 20, while it may go further down to medium or even high vacuum levels at positions further away from the inlet 20 within the vacuum enclosure 18. The inlet 20 can take the form of one or more openings or orifices. The vacuum enclosure 18 and the one or more vacuum stages contained therein (not illustrated) have no other fluid communication for transmitting or receiving gaseous matter than the ones where gaseous ionic matter isreceived and transmitted, as well as pumping ports, as the case may be. The vacuum enclosure 18 may comprise a single vacuum stage containing an ion analyzer, such as an ion mobility analyzer or a mass analyzer (not shown), or a plurality of vacuum stages, of which a first comprises the inlet 20 and is designed and configured to receive gas and gaseous ionic matter therethrough from outside. A further subsequent vacuum stage, which is fluidly coupled to the first vacuum stage, may be designed and configured to receive transmitted gaseous ionic matter therefrom and transmit it to one or more ion analyzers (not shown) for mobility and / or mass analysis.

[0048] The outlet 16 of the source unit 12 may define a linear outlet axis (in Figure 1 parallel to the horizontal from left to right) whereas the inlet 20 of the vacuum enclosure 18 may define a linear inlet axis which, in the example presented, are substantially parallel toward each other while being slightly or moderately vertically offset from one another. The slight or moderate displacement of the axes allows redirecting the gas flow 14 in a space between the outlet 16 and the inlet 20, such as by interaction with internal surfaces, the benefit of which will be described further below.

[0049] In the spatial range between the outlet 16 of the source unit 12 and the inlet 20 of the vacuum enclosure 18, a shaped solid phase body 22 can be positioned that has substantially tubular form and provides a flow through fluid passage 24 for the gas flow 14 emanating from the outlet 16 of the source unit 12. The fluid passage 24 within the shaped solid phase body 22 may be substantially linear or straight as shown (in relation to a general longitudinal extension of the shaped solid phase body 22). The shaped solid phase body 22 of substantially tubular form comprises a first substantially tapering portion 22A in the nature of a funnel facing the outlet 16 with its wide opening, a second substantially tapering portion 22B in the nature of a substantially mirrored funnel, opening up in a direction away from the first substantially tapering portion 22A and facing the inlet 20, and a substantially constricted portion 22C in between the first substantially tapering portion 22A and the second substantially tapering portion 22B. The first substantially tapering portion 22A and the second substantially tapering portion 22B have a substantially frusto-conical cavity of substantially asymmetric design.

[0050] The gas flow 14 emanating from the source unit 12, which may be heated, impacts, hits, or strikes an internal surface of the first substantially tapering portion 22A,before being redirected and passing through the substantially constricted portion 22C and the second substantially tapering portion 22B in a direction toward the inlet 20. In the example shown, the outlet 16 comprises an outlet axis, which may coincide with a direction of propagation of the gas flow, and the constricted portion 22C comprises a constricted portion axis, wherein the outlet axis and the constricted portion axis are slightly or moderately vertically offset from each other, so as to force the gas flow 14 to interact with an inner surface of the first substantially tapering portion 22A at a grazing angle of about 45°, before being redirected downward and through the substantially constricted portion 22C in a direction substantially aligned with the inlet axis of the inlet 20.

[0051] The shaped solid phase body 22 may be of monolithic design as illustrated, meaning that it has been produced from a particular material in one piece, without any internal interfaces or seams. Embodiments where a shaped solid phase body may be made up of multiple parts will be presented further below. Manufacturing methods for the shaped solid phase body may include additive manufacturing, subtractive manufacturing and / or injection molding. The monolithic shaped solid phase body 22 of the example illustrated may be made completely of polymeric matter, e.g., a thermoplastic, such as acrylonitrile butadiene styrene, polylactic acid, nylon, polyoxymethylene, polycarbonate, polyvinylchloride; or an elastomer, such as polydimethylsiloxane; or a thermosetting polymer, such as bisphenol. Due to its structure consisting of a chain of repeating units, polymeric material may offer a wide range of masses, dependent on how long the chain of repeating units in the molecule is, and therefore may be well suited for mass calibration in an ion analyzer, such as comprising a triple quadrupole mass analyzer. Generally, the calibrant molecular species, and, in particular, those stemming or being derived from polymeric matter, may also be suitable for ion mobility calibration. In further examples, the shaped solid phase body 22 may comprise polymeric matter which includes one or more additives, e.g., plasticizers, stabilizers, fillers, flame retardants, dyes or pigments, which may render well observable ion signals in an ion analyzer and therefore also be well suited for a calibration procedure in one or more ion analyzers.

[0052] Figure 2 shows schematically a second representative embodiment of the present invention. The exemplary assembly for operating ion spectrometry 10* contains likewise a source unit 12, similar to the one illustrated in the embodiment of Figure 1.

[0053] As in the first embodiment shown in Figure 1 , a vacuum enclosure 18 is located opposite the source unit 12 and has an inlet 20 for receiving gas and gaseous ionic species contained therein.

[0054] The outlet 16 of the source unit 12 may define a linear outlet axis whereas the inlet 20 of the vacuum enclosure 18 defines a linear inlet axis which, in the example presented in Figure 2, are substantially parallel toward each other while being slightly or moderately vertically offset from one another, similar to the embodiment shown in Figure 1.

[0055] In the spatial range between the outlet 16 of the source unit 12 and the inlet 20 of the vacuum enclosure 18, a shaped solid phase body 22* can be positioned that has substantially tubular form and provides a flow through fluid passage 24* for the gas flow 14 emanating from the outlet 16 of the source unit 12. The fluid passage 24* within the shaped solid phase body 22* may be substantially linear or straight as shown (in relation to a general longitudinal extension of the shaped solid phase body 22*). The shaped solid phase body 22* of substantially tubular form comprises a first substantially tapering portion 22A in the nature of a funnel facing the outlet 16 with its wide opening, a second substantially tapering portion 22B in the nature of a substantially mirrored funnel, opening up in a direction away from the first substantially tapering portion 22A and facing the inlet 20, and a substantially constricted portion 22C in between the first substantially tapering portion 22A and the second substantially tapering portion 22B. The first substantially tapering portion 22A and the second substantially tapering portion 22B have a substantially frusto-conical cavity of substantially asymmetric design.

[0056] In contrast to the embodiment from Figure 1 , the shaped solid phase body 22* according to the embodiment from Figure 2 is made up of multiple parts such as a receptacle body 26A shaped in such a way, e.g., by encompassing an internal recess 28, that it can accommodate a dimensionally adapted insert 26B, such as by frictional fit (see lower panel of Figure 2). In the alternative example presented, the gas flow 14 emanating from the source unit 12 impacts, hits, or strikes an internal surface of the firstsubstantially tapering portion 22A at a position where the insert 26B is accommodated within the receptacle body 26A, before being redirected and passing through the substantially constricted portion 22C, which is surrounded and formed by the insert 26B having substantially the shape of a funnel, and the second substantially tapering portion 22B in a direction toward the inlet 20. In the alternative example shown, the outlet 16 comprises an outlet axis, which may coincide with a direction of propagation of the gas flow, and the constricted portion 22C comprises a constricted portion axis, wherein the outlet axis and the constricted portion axis are slightly or moderately vertically offset from each other, so as to force the gas flow 14 to interact with an inner slant surface of the insert 26B at a grazing angle of about 45°, before being redirected downward and through the substantially constricted portion 22C in the insert 26B in a direction substantially aligned with the inlet axis of the inlet 20.

[0057] Due to the shaped solid phase body 22* being made up of multiple parts, in this example the receptacle body 26A and the insert 26B, the receptacle body 26A can be made actually from any suitable material, such as a dimensionally stable material, e.g., polytetrafluoroethylene (PTFE) or polyether ether ketone (PEEK), which may show no pronounced outgassing, volatilizing and / or sublimating behavior, while the insert 26B, which is the main source of calibrant molecular species to be ionized when needed, may comprise polymeric matter, e.g., a thermoplastic, such as acrylonitrile butadiene styrene, polylactic acid, nylon, polyoxymethylene, polycarbonate, polyvinylchloride, or an elastomer, such as polydimethylsiloxane, or a thermosetting polymer, such as bisphenol, as has been expounded further above. Within the context of the embodiment from Figure 2, both the receptacle body 26A as well as the insert 26B may be made using one or more of the techniques of additive manufacturing, subtractive manufacturing and injection molding, as may be chosen by a skilled practitioner for convenience.

[0058] The structure using an insert 26B accommodated within a receptacle body 26A, e.g., by a frictional fit, allows a user to replace a first insert of a particular material, which may encompass a first group of calibrant molecular species, e.g., covering a first mass range, with a second insert of a different material, which may encompass a second group of calibrant molecular species, e.g., covering a second mass range, notbeing congruent or identical with the first group, without having to provide for two whole shaped solid phase bodies. In so doing, a more resource-saving providing and operation of the assembly for operating ion spectrometry can be achieved.

[0059] The shaped solid phase body 22* may comprise an embedded conduit 30 for receiving one or more gaseous reagents at a respective outer entrance end and discharging them at a respective exit end into the fluid passage 24*. The embedded conduit 30 may be worked into the shaped solid phase body 22* upstream of the substantially constricted portion 22C in order that any gaseous reagent supplied therethrough may mix and mingle well with the gas flow 14 before reaching the point within the shaped solid phase body 22* where the gas flow 14 including reactive gaseous species as well as added reagents interacts with one or more internal surfaces of the insert 26B. A gaseous reagent may modify a gas-phase chemistry within the fluid passage 24* and can modify and enable the reactive gaseous species so as to extend the range of molecular species which can be efficiently ionized. Further, some reagents can improve a signal-to-noise ratio by more selectively ionizing compounds of interest while being less effective in ionizing typical interfering background compounds. It is likewise possible to add reagents which are susceptible of adducting, so as to provide further lockmass values on a mass scale for calibration. Examples of gaseous reagent atoms or compounds to be supplied to the fluid passage 24* may be taken from among the group including or consisting of: oxygen, ammonia, nitric acid, methyl or ethyl bromide, acetone.

[0060] Figure 3 shows schematically a third representative embodiment of the present invention. The exemplary assembly for operating ion spectrometry 10’ contains likewise a source unit 12, similar to the ones illustrated in the embodiments of Figure 1 and Figure 2.

[0061] In contrast to the first embodiment from Figure 1 and the second embodiment from Figure 2, a vacuum enclosure 18 is located in relation to the source unit 12 such that an initial outlet axis, extending parallel to the vertical from top to bottom, and an inlet axis of the inlet 20 at the vacuum enclosure 18 for receiving gas and gaseous ionic species contained therein, extending parallel to the horizontal from left to right, are aligned perpendicular to one another. In other words, the inlet axis may notionallyintersect the outlet axis at an angle of about 90° at a position in front of the outlet 16 and in front of the inlet 20.

[0062] In the spatial range between the outlet 16 of the source unit 12 and the inlet 20 of the vacuum enclosure 18, a shaped solid phase body 22’ can be positioned that has substantially tubular form and provides a flow through fluid passage 24’ for the gas flow 14 emanating from the outlet 16 of the source unit 12. The fluid passage 24’ within the shaped solid phase body 22’ may be substantially non-linear, bent or curved as shown, such as showing a curvature of substantially 90°. The shaped solid phase body 22’ of substantially tubular form comprises a first substantially tapering portion 22A in the nature of a funnel facing the outlet 16 with its wide opening, a second substantially tapering portion 22B in the nature of a funnel, opening up in a direction away from the first substantially tapering portion 22A and facing the inlet 20, and a substantially constricted portion 22C in between the first substantially tapering portion 22A and the second substantially tapering portion 22B. The bent or curved nature of the substantially constricted portion 22C does manifest itself, in particular, in that an initial incident axis along which it receives gaseous matter is aligned perpendicular with a subsequent outgoing axis along which gaseous (ionic) matter is discharged through the second substantially tapering portion 22B in a direction toward the inlet 20 of the vacuum enclosure 18.

[0063] In agreement with the embodiment from Figure 1 and in contrast to the embodiment from Figure 2, the shaped solid phase body illustrated in Figure 3 may be of monolithic design as illustrated, meaning that it has been produced from a particular material in one piece, without any internal interfaces or seams. Manufacturing methods for making the shaped solid phase body 22’ may include additive manufacturing, subtractive manufacturing and / or injection molding. The monolithic shaped solid phase body 22’ of the example illustrated may be made completely of polymeric matter, e.g., a thermoplastic, such as acrylonitrile butadiene styrene, polylactic acid, nylon, polyoxymethylene, polycarbonate, polyvinylchloride; or an elastomer, such as polydimethylsiloxane; or a thermosetting polymer, such as bisphenol. Due to its structure consisting of a chain of repeating units, polymeric material may offer a wide range of masses, dependent on how long the chain of repeating units within themolecule is, and therefore may be well suited for mass calibration in an ion analyzer, such as comprising a triple quadrupole mass analyzer. Generally, the calibrant molecular species, and, in particular, those from polymeric matter, may also be suitable for gas-phase ion mobility calibration.

[0064] In further examples, the shaped solid phase body 22’ may comprise polymeric matter which includes one or more additives, e.g., plasticizers, stabilizers, fillers, flame retardants, dyes or pigments, which may render well observable ion signals in an ion analyzer and therefore also be well suited for a calibration procedure. In yet further examples, the structural layout of the shaped solid phase body 22’ may be combined with a multi-piece design, i.e. , non-monolithic, such as featuring a receptacle body having an inner recess and an insert dimensionally adapted to the recess, as set out with reference to the embodiment from Figure 2, for instance.

[0065] The exemplary assemblies shown in Figure 1 , Figure 2 and Figure 3 illustrate a period in which the shaped solid phase body 22, 22*, 22’ is put in a position substantially opposite the inlet 20 of the vacuum enclosure 18. This has the effect that calibrant molecular species, which outgassed, volatilized and / or sublimated from the shaped solid phase body 22, 22*, 22’, in particular, at a position where the gas flow 14 emanating from the outlet 16 of the source unit 12 hits, strikes or impacts one or more surfaces of the shaped solid phase body 22, 22*, 22’, be it a monolithic body such as in Figure 1 and Figure 3, or a body made up of multiple parts such as in Figure 2, are entrained with, taken up or dragged on by the gas flow 14 containing reactive gaseous species, such as excited gaseous molecular species or reactive gaseous ionic species, which interact or react with the outgassed, volatilized and / or sublimated calibrant molecular species in order to turn them into ionized calibrant molecular species to be processed in the one or more ion analyzers held within the vacuum enclosure 18.

[0066] Heating of the gas flow 14 may enhance the propensity of outgassing, volatilizing and / or sublimating of calibrant molecular species at the position of gas flow impingement on a surface of the shaped solid phase body 22, 22*, 22’. The aforementioned mode of operation can be activated in periods of time when ionized calibrant molecular species are required in the vacuum enclosure 18 for mass (and / or mobility) calibration of an ion analyzer. By virtue of an actuating mechanism (not illustrated), suchas a robotic mechanism or the like, the shaped solid phase body 22, 22*, 22’ may be removed from its position substantially opposite the outlet 16, when no gaseous calibrant molecular species are required to be ionized and carried toward the inlet 20 of the vacuum enclosure 18 for mass (and / or mobility) calibration. In such periods of time, a sample presenting unit (not shown), such as a probe or sample support plate, which may provide an analytical sample to be processed, such as a condensed phase analytical sample (liquid, solid) or gaseous analytical sample, may be moved into a position substantially opposite the outlet 16 which is substantially identical to the position of the shaped solid phase body 22, 22*, 22’.

[0067] Figure 4 and Figure 5 schematically illustrate, in different views, a shaped solid phase body 22” suitable for being used in an assembly for operating ion spectrometry 10, 10* according to the present disclosure, such as shown schematically in Figure 1 or Figure 2, for example.

[0068] The shaped solid phase body 22” has substantially tubular form and provides a flow through fluid passage 24” for the gas flow emanating from an outlet of the source unit (not shown in Figure 4 and Figure 5). The flow through fluid passage 24” is one of substantially linear or straight, while being slightly or moderately inclined in relation to a general longitudinal axis of the shaped solid phase body 22” (Figure 5, aligned along the horizontal from left to right).

[0069] The shaped solid phase body 22” of substantially tubular form comprises a first substantially tapering portion 22A in the nature of a funnel which can be positioned to face an outlet (not illustrated in Figure 4 and Figure 5) with its wide opening for receiving gaseous matter including reactive gaseous species, a second substantially tapering portion 22B in the nature of a substantially mirrored funnel, opening up in a direction away from the first substantially tapering portion 22A, which second substantially tapering portion 22B can be positioned to face an inlet (not illustrated in Figure 4 and Figure 5) in order to discharge gaseous matter including ionized calibrant molecular species thereinto, and a substantially constricted portion 22C in between the first substantially tapering portion 22A and the second substantially tapering portion 22B. In the present embodiment, the first substantially tapering portion 22A has a substantially frusto-conical cavity of substantially symmetric design and the secondsubstantially tapering portion 22B has a substantially frusto-conical cavity of substantially asymmetric design.

[0070] The first substantially tapering portion 22A comprises a gas flow-guiding groove 32 for efficiently channeling the gas flow 14 including reactive gaseous species formed in a source unit (not shown) through the first substantially tapering portion 22A and toward the substantially constricted portion 22C which is neatly sandwiched between the first substantially tapering portion 22A and the second substantially tapering portion 22B.

[0071] The first substantially tapering portion 22A, by virtue of its having a gas flowguiding groove 32, is positioned, designed and configured such that the gas flow 14 impacts, hits, or strikes one or more internal surfaces of the shaped solid phase body 22”, before being redirected and passing through the substantially constricted portion 22C and the second substantially tapering portion 22B in a direction toward a vacuum disclosure (not illustrated in Figure 4 and Figure 5).

[0072] The shaped solid phase body 22” may be monolithic or made up of multiple parts. It is possible, for instance, to design the shaped solid phase body 22” such that it consists of a receptacle body (not identified in Figure 4 and Figure 5) encompassing a recess formed within the receptacle body at a position of the substantially constricted portion 22C. In such design, an insert (likewise not identified in Figure 4 and Figure 5) can be accommodated within the recess as a sort of removable liner at the position of the substantially constricted portion 22C. As has been described with reference to previous embodiments, the shaped solid phase body 22” can consist of or comprise polymeric matter, for example in the part of an insert. The polymeric matter may be taken from among the group including or consisting of: a thermoplastic, such as acrylonitrile butadiene styrene, polylactic acid, nylon, polyoxymethylene, polycarbonate, polyvinylchloride; an elastomer, such as polydimethylsiloxane; a thermosetting polymer, such as bisphenol. The shaped solid phase body 22” may, as the case may be, comprise suitable ion-producing additives, such as one or more plasticizers, and may have been made using one of additive manufacturing, such as 3D printing, subtractive manufacturing, such as machining, and injection molding, as described previously.

[0073] Figure 6 shows an exemplary mass spectrum including prominent ion signals from the plasticizer Bis(2-ethylhexyl) phthalate added to polyvinylchloride (PVC) of which a shaped solid phase body was made. The ion signals shown may assist in lockmass calibration of a mass analyzer, in a mass-to-charge ratio range of about zero to m / z 800. The annotated ion signals include a fragment of Bis(2-ethylhexyl) phthalate also known as dioctyl phthalate or DOP (m / z ~149), a protonated monomer of Bis(2-ethylhexyl) phthalate ([M+H]+, m / z ~391 ), an ammonia adduct of the monomer of Bis(2-ethylhexyl) phthalate ([M+NH4]+, m / z ~408), and an ammonia adduct of the dimer of Bis(2-ethylhexyl) phthalate ([2M+NH4]+, m / z ~798).

[0074] The assembly for operating ion spectrometry according to the present disclosure may produce multiple ionic species, depending on the material of (or on) the shaped solid phase body, such as a polymeric material, that can be used to calibrate an ion analyzer mass-to-charge ratio and detector response, and, additionally or alternatively, also ion mobility, as the case may be.

[0075] The shaped solid phase body can be shaped to aid outgassing, volatilization and / or sublimation of material off one or more of its surfaces and to funnel it into the inlet of the vacuum enclosure for analysis.

[0076] The shaped solid phase body may contain a much higher concentration of calibrant molecular species and can provide stable ionic signal for a long period of time.

[0077] The material(s) of the shaped solid phase body can be chosen non-toxic, will last much longer than calibrant molecular species provided in a matrix of liquid or gaseous form, is not considered as hazardous and can be shipped cheaply around the world. Dilution by expensive and polluting liquid solvents may also be dispensable.

[0078] The invention has been shown and described above with reference to a number of different embodiments thereof. It will be understood, however, by a person skilled in the art that various aspects or details of the invention may be changed, or various aspects or details of different embodiments may be arbitrarily combined, if practicable, without departing from the scope of the invention. Generally, the foregoing description is for the purpose of illustration only, and not for the purpose of limiting the invention, which is defined solely by the appended claims, including any equivalent implementations, as the case may be.

Claims

CLAIMS1. An assembly for operating ion spectrometry, comprising:a source unit having an outlet and being designed and configured to produce reactive gaseous species;an inlet to a vacuum enclosure, which contains one or more vacuum stages and one or more ion analyzers, the inlet being located spaced apart from, as well as being designed and configured to allow fluid communication with the outlet; a gas control unit being coupled with the source unit as well as with the vacuum enclosure and further being designed and configured to provide a gas flow which emanates from the outlet and contains reactive gaseous species; anda shaped solid phase body encompassing a plurality of calibrant molecular species, being movable into a position substantially opposite the outlet and being further designed and configured to, in such position, provide a fluid passage for the gas flow on its way after having emanated from the outlet, thereby allowing the gas flow to take up, entrain and drag on calibrant molecular species that are at least one of (i) volatilized, (ii) outgassed and (iii) sublimated from the shaped solid phase body, as a result of which gaseous calibrant molecular species react with reactive gaseous species contained within the gas flow and become ionized, and further being designed and configured to allow the gas flow to carry ionized calibrant molecular species toward the inlet.

2. The assembly of Claim 1 , wherein the shaped solid phase body is one of monolithic and made up of multiple parts.

3. The assembly of Claim 2, wherein one of the monolithic shaped solid phase body and at least one of the multiple parts comprises polymeric matter, such as taken from among the group including or consisting of: (i) a thermoplastic, such as acrylonitrile butadiene styrene, polylactic acid, nylon, polyoxymethylene, polycarbonate, polyvinylchloride; (ii) an elastomer, such as polydimethylsiloxane; (iii) a thermosetting polymer, such as bisphenol.

4. The assembly of any one of Claims 1 to 3, wherein the calibrant molecular species comprise one or more additives, such as taken from among the group including or consisting of: plasticizers, stabilizers, fillers, flame retardants, dyes and pigments.

5. The assembly of any one of Claims 1 to 4, wherein the shaped solid phase body has been made using one of (i) additive manufacturing, such as 3D printing, (ii) subtractive manufacturing, such as machining, and (iii) injection molding.

6. The assembly of any one of Claims 1 to 5, further comprising an actuating mechanism which is coupled to the shaped solid phase body and is further positioned, designed and configured to remove it from its position substantially opposite the outlet for first periods of time in which no gaseous calibrant molecular species shall be ionized and carried toward the inlet, and to replace it there for second periods of time when gaseous calibrant molecular species shall be ionized and carried toward the inlet.

7. The assembly of Claim 6, further comprising a sample presenting unit providing an analytical sample to be processed, being coupled to the actuating mechanism and further being movable into a position substantially opposite the outlet which is substantially identical to the position of the shaped solid phase body during the second periods of time.

8. The assembly of any one of Claims 1 to 7, wherein the outlet comprises an outlet axis and the inlet comprises an inlet axis, and wherein the outlet axis and the inlet axis relate spatially to one another in at least one of (i) substantially coinciding, (ii) being offset from one another, such as displaced by a certain distance, and (iii) having an angle therebetween.

9. The assembly of Claim 8, wherein the angle between the outlet axis and the inlet axis is between substantially 90°, such as a perpendicular alignment, and substantially 180°, such as when the inlet substantially faces the outlet.

10. The assembly of any one of Claims 1 to 9, further comprising one or more electrodes associated with the inlet and being designed and configured to guide ionized calibrant molecular species toward and through the inlet.

11. The assembly of any one of Claims 1 to 10, wherein the reactive gaseous species comprise one of (i) excited gaseous molecular species, such as metastable excited state helium or metastable excited state molecular nitrogen, which facilitate and promote Penning ionization, and (ii) reactive gaseous ionic species, such as ionized solvent clusters.

12. The assembly of any one of the Claims 1 to 11 , further comprising an energy generating device being positioned, designed and configured to apply energy to the shaped solid phase body in order to facilitate or promote at least one of (i) volatilization, (ii) outgassing, and (iii) sublimation of calibrant molecular species therefrom into the fluid passage.

13. The assembly of Claim 12, wherein the energy generating device is positioned, designed and configured to transfer one of (i) heat and (ii) thermal energy to the gas flow before it enters the fluid passage.

14. The assembly of any one of Claims 1 to 13, wherein the one or more ion analyzers comprise at least one of (i) one or more quadrupole analyzers, such as single or triple quadrupole analyzers, (ii) a time-of-flight analyzer, (iii) an ion cyclotron resonance analyzer, (iv) a Kingdon trap analyzer, (v) an ion trap analyzer, and (vi) an ion mobility analyzer.

15. The assembly of any one of Claims 1 to 14, wherein the shaped solid phase body has substantially tubular form and provides a flow through fluid passage for the gas flow emanating from the outlet.

16. The assembly of Claim 15, wherein the flow through fluid passage is one of linear, straight, non-linear, and bent or curved.

17. The assembly of any one of Claims 1 to 16, wherein the shaped solid phase body is positioned, designed and configured such that the gas flow at least one of (i) impacts, (ii) hits, and (iii) strikes one or more surfaces of the shaped solid phase body.

18. The assembly of Claim 17, wherein the shaped solid phase body is positioned, designed and configured such that the gas flow intersects the one or more surfaces at a substantially grazing angle, such as 60° or less.

19. The assembly of any one of Claims 15 to 18, wherein the shaped solid phase body of substantially tubular form comprises a first substantially tapering portion in the nature of a funnel facing the outlet with its wide opening, a second substantially tapering portion in the nature of a substantially mirrored funnel, opening up in a direction away from the first substantially tapering portion, and a substantially constricted portion in between the first substantially tapering portion and the second substantially tapering portion.

20. The assembly of Claim 19, wherein the first substantially tapering portion is positioned, designed and configured such that the gas flow one of (i) impacts, (ii) hits, and (iii) strikes one or more internal surfaces thereof, before being redirected and passing through the substantially constricted portion and the second substantially tapering portion.

21. The assembly of Claim 19 or Claim 20, wherein the first substantially tapering portion comprises a gas flow-guiding groove.

22. The assembly of any one of Claims 19 to 21 , wherein the outlet comprises an outlet axis and the constricted portion comprises a constricted portion axis, theoutlet axis and the constricted portion axis being at least one of (i) inclined toward and (ii) offset from each other.

23. The assembly of any one of Claims 19 to 22, wherein at least one of the first substantially tapering portion and the second substantially tapering portion comprise a substantially frusto-conical cavity.

24. The assembly of Claim 23, wherein the substantially frusto-conical cavity has asymmetric design.

25. The assembly of any one of Claims 1 to 24, wherein the shaped solid phase body comprises one or more embedded conduits for receiving one or more gaseous reagents at a respective outer entrance end and discharging them at a respective exit end into the fluid passage.

26. An ion spectrometer, comprising:a vacuum enclosure encompassing one or more vacuum stages; one or more ion analyzers located within the vacuum enclosure; an assembly for operating ion spectrometry according to any one of Claims 1 to 25, which is kept under ambient conditions, such as ambient temperature and ambient pressure; anda guidance and / or control unit which communicates with the assembly for operating ion spectrometry as well as the one or more ion analyzers and is further designed, configured and programmed to execute both ion analysis of a sample in or during first periods of time and calibration of the ion analyzer in or during second periods of time.

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