Section: 8 | Varieties of Hyphenated Gas Chromatography with Mass Spectrometry |

How to Cite this Reference

VARIETIES OF HYPHENATED GAS CHROMATOGRAPHY WITH MASS SPECTROMETRY

Thomas J. Bruno

Because of the very powerful and common application of mass spectrometry with gas chromatography, the various technologies warrant more detailed consideration (Refs. 1 to 5). The following table provides basic information on the capabilities and applicability of the most common approaches. Clearly, the use of the single quadrupole is by far the most prevalent and economical method, but the other techniques are important and advantageous. We exclude methods that are typically not interfaced with gas chromatographic separations and that are highly specific in research settings (such as ion cyclotron mass spectrometry, combined quadrupoles beyond the triple quad, and various hybrid sector-quad-time of flight-ion trap combinations) that are used in fundamental ion chemistry research. We also exclude magnetic sector instruments that are seldom used with chromatography.

References

March, R. E., and Todd, J. F., Quadrupole Ion Trap Mass Spectrometry, Wiley-Intersceince, New York, 2005. [https://doi.org/10.1002/0471717983]
Portoles, T., Sancho, J. V., Hernandez, A., Newton, A., and Hancock, P., Potential of Atmospheric Chemical Ionizationsource in GC-QTOF for Pesticide Residue Analysis, J. Mass Spectrom. 45, 926, 2010. [https://doi.org/10.1002/jms.1784]
Busch, K. L., Glish, G. L., and McLuckey, S. A., Mass Spectrometry Mass Spectrometry: Techniques and Applications of Tandem Mass Spectrometry, VCH Publishers, New York, 1988.
Wong, P. S., and Cooks, R. G., Ion Trap Mass Spectrometry, Curr. Sep. 16, 85, 1997.
Bruno, T. J., and Svoronos, P. D. N., CRC Handbook of Basic Tables for Chemical Analysis – Data-Driven Methods and Interpretation, Fourth Edition, CRC Press/Taylor & Francis, Boca Raton, FL, 2021. [https://doi.org/10.1201/b22281]

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Gas Chromatographic Methods Used with Mass Spectrometry

Method (with accepted acronyms and abbreviations)	Modes	Advantages	Limitations
Gas Chromatography Mass Spectrometry GC-MS (single quadrupole, SQ)	Scan, selected ion monitoring (SIM), and Scan/SIM	Relatively simple and relatively inexpensive; compound identification by library search; dynamic range = 10⁵, but typically limited to >10⁴; mass/charge range = 10³ to 10⁴, resolution (at m/z = 1000) 10³ to 10⁴ for most ions; well-developed hardware and software; used in standard protocols.	Coelution of compounds compromise library identifications; often user must interpret fragmentation patterns; newer software including deconvolution capability, can help with overlap problems. SIM mode provides higher sensitivity but for target ions only, sensitivity decreases with increasing number of SIM ions. Scan/SIM methods must balance scan and SIM sensitivity requirements.
Gas Chromatography-Mass Spectrometry GC-MS (ion trap, IT)	Scan or selected ion monitoring (SIM); tandem MS-MS; gas or liquid chemical ionization	High sensitivity, compact design, tandem mass spectrometry is possible; dynamic range = 10⁴, but typically limited to < 10⁴ or less; mass/charge range = 10⁴ to 10⁵, resolution (at m/z = 1000) 10⁴; well-developed hardware and software; used in standard protocols.	Space charge effects can lead to relatively poor dynamic range, however, for “clean” samples, the dynamic range can be as high as single quadrupole units; specific libraries are limited; SIM is for target ions only with a sensitivity lower than that obtainable by a SIM analysis via single quadrupole, above; MS-MS analyses are limited to approximately 120 to 150 compounds per analysis; MS-MS analysis is typically slower than that done with a tandem MS-MS (process is done in time rather than space).
Gas Chromatography (time of flight) Mass Spectrometry, low resolution GC-TOF	Scan or selected ion monitoring	Identification possible with good chromatographic separations, dynamic range = 10⁴, mass/charge range = 10⁵, resolution (at m/z = 1000) 10³ to 10⁴.	Unit mass resolution limits identification capability; libraries are limited; if chromatographic separation is poor, comprehensive (GCXGC) might be needed; cannot distinguish neutral species losses.
Comprehensive Gas Chromatography (time of flight) Mass Spectrometry, low resolution GCXGC-TOF	Scan or selected ion monitoring; normal column configuration (nonpolar – polar) or reversed column configuration (polar – nonpolar)	Identification possible with good chromatographic separations in two dimensions on a nonpolar (long) and a polar (short) column; identification of families with help of principal component analysis tools; dynamic range = 10⁴, mass/charge range = 10⁵, resolution (at m/z = 1000) 10³ to 10⁴, well-developed hardware and software; used in standard protocols.	Unit mass resolution limits identification capability; libraries are limited; GCXGC may not remedy all aspects of component coelution, which may be limited to family characteristics.
Gas Chromatography Mass Spectrometry (triple quadrupole) GC-MS(QQQ, or QqQ)	Multiple and selected reaction monitoring	Provides product and precursor ion scans; very sensitive for target compounds or functional groups; developed to provide enhanced daughter ion resolution; relatively simple construction with straightforward scanning procedures; no high voltage arcing; dynamic range = 10⁵, mass/charge range = 10³ to 10⁴, resolution (at m/z = 1000) 10³ to 10⁴.	Unit mass, making identification ambiguous due to multiple structures as source of breakdown mass; empirical formula determination can be difficult, spectra and fragmentations must often be interpreted manually; full scan data can be acquired (similar to the single quad procedure) by turning off the collision cell.
Gas Chromatography (time of flight) Mass Spectrometry, high resolution GC-TOF	Scan or selected ion monitoring, tandem MS-MS	Might obviate the need for GCXGC separations with accurate mass determinations; deconvolution software can aid in identification of multiple components under peaks; sensitivity intermediate between multiple reaction monitoring and product ion scan of a QQQ; dynamic range = 10⁴, mass/charge range = 10⁵, resolution (at m/z = 1000) 10³ to 10⁴.	Very large data files (currently approaching 2 Gb), past software problems have been somewhat addressed.
Gas Chromatography Tandem Mass Spectrometry GC-QTOF	Scan or selected ion monitoring, tandem MS-MS	Might obviate the need for GCXGC separations with accurate mass determinations; isolation of parent ions and subsequent fragmentation provides identification; will detect any daughter ion passed into the TOF; sensitivity intermediate between multiple reaction monitoring and product ion scan of a QQQ dynamic range = 10⁴, mass/charge range = 10⁵, resolution (at m/z = 1000) 10³ to 10⁴.	Large data files are produced; sophisticated software is needed for processing and deconvolution; requires accurate mass and high resolution.

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