Triple-sector quadrupole tandem mass

Different mass analysers can be combined with the electrospray ionization source to effect analysis. These include magnetic sector analysers, quadrupole filter (Q), quadrupole ion trap (QIT), time of flight (TOF), and more recently the Fourrier transform ion cyclotron resonance (FTICR) mass analysers. Tandem mass spectrometry can also be effected by combining one or more mass analysers in tandem, as in a triple quadrupole or a QTOF. The first analyzer is usually used as a mass filter to select parent ions that can be fragmented and analyzed by subsequent analysers. 

The most common types of MS/MS instruments available to researchers in food chemistry include triple quadrupole mass spectrometers and ion traps. Less common but commercially produced tandem mass spectrometers include magnetic sector instruments, Fourier transform ion cyclotron resonance (FTICR) mass spectrometers, and quadrupole time-of-flight (QTOF) hybrid instruments (Table A.3A.1). Beginning in 2001, TOF-TOF tandem mass spectrometers became available from instrument manufacturers. These instruments have the potential to deliver high-resolution tandem mass spectra with high speed and should be compatible with the chip-based chromatography systems now under development. 

Fig. 5 Statistical evaluation of LC-MS-based methods for tropane alkaloids referred in this chapter. (a) Relative frequency of ionization methods. +APCI positive atmospheric pressure chemical ionization, +ESI positive electrospray ionization, FAB fast atom bombardment, +TSP positive thermospray, (b) Relative frequency of scan modes used. MS full scan MS, MS/MS tandem mass spectrometry (product ion scan), MRM multiple reaction monitoring, SIM selected ion monitoring, (c) Relative frequency of mass analysers used. EBQtQ2 double focusing sector field mass spectrometer, IT ion trap, QqQ triple quadrupole, SQ single quadrupole. Considered publications were found by PubMed data-based search and references cited in these articles...

The types of tandem mass spectrometers capable of performing MS/MS experiments fall into two basic categories tandem in space and tandem in time. Tandem-in-space instruments have discrete mass analyzers for each stage of mass spectrometry examples include multisector, triple-quadru-pole, and hybrid instruments (instruments having mixed types of analyzers such as a magnetic sector and a quadrupole). Tandem-in-time instruments have only one mass analyzer where each stage of mass spectrometry takes place in the same analyzer but is separated in time via a sequence of events. Examples of this type of instrument include Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers and quadrupole ion traps, described in Chapter 3. 

The ESI and APCI are both soft ionization techniques, hence the spectra obtained using these methods are usually very simple and consist predominantly of the pseudomolecular ion. When more information is required, tandem mass spectrometry is a popular option. Several different types of tandem LC/MS systems can be found, with triple quadrupole and ion trap being the most popular choices. Hybrid systems including magnetic sector-quadmpole, magnetic sector-TOF, quadrupole-TOF (Q-TOF) and ion trap-TOF have been described. The most successful among these hybrids is the Q-TOF instrument. 

The precursor ion selection, fragmentation, and product ion analysis can be separated in space or in time, as shown in Figure 1.29. Separation in time requires trapped ions, as available in the quadrupole ion trap or the ion cyclotron resonance trap. Separation in space necessitates at least two physically distinct mass analyzing devices, one for precursor ion selection (MS-1) and one for product ion analysis (MS-2). The simplest in-space tandem instruments are the triple quadrupole mass spectrometer (QqQ), the double-focusing sector tandem mass spectrometer (EB or BE), and the reflectron time-of-flight mass spectrometer. In a triple quadrupole, the first and third quadrupoles (Q) are mass analyzers, while the center quadrupole iq) serves as the collision cell. In sector instruments, a collision cell is situated... 

All four types of scan laws discussed in Section 4.2 can be implemented with a triple-quadrupole instrument. For example, to acquire a product-ion spectrum, Qi is set to transmit ions of a specified miz value into Q2, where they undergo a CID process. Q3 is scanned to mass-analyze the products formed in Q2. A precursor-ion spectrum is acquired by reversing this procedure that is, Q3 is set to transmit just the m/z value of a desired product ion, and Qi is scanned to transmit all precursors of this chosen product ion. As compared to the magnetic sector-based tandem instruments, a simple scan law is used in the triple-quadrupole instruments to monitor the loss of a neutral. The fields of Qi and Q3 are both scanned in tandem, but with an offset value related to the mass of the neutral. 

GC-MS of the fluid inclusion oils can be performed on benchtop quadrupole, triple quadrupole, or sector instruments. The main criterion is sensitivity because such low amounts of oil are recovered from fluid inclusions, sometime lower-sensitivity instruments such as benchtop quadrupole instruments do not give sufficient quality data to be reliably interpreted. Further subordinate criteria are mass resolution and resolving power it helps to separate certain compounds using better than unit mass resolution and/or tandem mass spectrometry... 

For some complex mixtures, the combination of LC and MS does not provide enough resolution. In recent years it has become feasible to couple two or more mass analyzers to form tandem mass spectrometers (see Section 20C--S). When combined with LC, the tandem mass spectrometry system is called an LC/MS/MS instrument. Tandem mass spectrometers are usually triple quadrupole systems or quadrupole ion-trap spectrometers. To attain higher resolution than can be achieved with a quadrupole, the final mass analyzer in a tandem MS system can be a time-of-flight mass spectrometer. Sector mass spectrometers can also be combined to give tandem systems. Ion cyclotron resonance and ion-trap... 

A scan in a tandem mass spectrometer with two or more mtz analysers e.g a triple quadrupole or a sector mass spectrometer that incorporates at least one magnetic sector and one electric sector. Two or more of the analysers are scanned simultaneously so as to preserve a predetermined relationship between scan parameters to produce a product ion, precursor ion or constant neutral loss or gain spectrum. 

Tandem mass spectrometry is applicable to all types of biomolecules but typically requires specialized mass spectrometry instrumentation for implementation. The most common tandem mass spectrometer is a triple quadrupole instrument, wherein the first and third quadrupoles are used as mass analysers and the middle quadrupole is used as a collision chamber. MS/MS can be performed with double focusing sector instruments and in some cases with specialized TOF mass analysers. Quadrupole ion traps and FTICR mass spectrometers are ideally suited for MS/MS experiments, and due to the operational characteristics of these mass analysers... 

The first hyphenated approach to be considered is the on-line combination of MS and MS, i.e. tandem mass spectrometry (MS-MS). A variety of combinations of different mass analysers have been described, including quadrupole and magnetic-sector analysers as MS], and quadrupole, magnetic-sector, ion-trap and time-of-flight analysers as MS2. Instruments like triple-quadrupoles are widely used for MS-MS, either as stand-alone systems with sample introduction via a solids insertion probe or flow-injection analysis, or in on-line combination with GC or LC. The work of Yost and co-workers and of Hunt and colleagues exemplify these methods. 

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