The functional relationship scan in tandem mass spectrometry

Vincenti, Marco; Schwartz, Jae C.; Cooks, R. Graham; Wade, Adrian P.; Enke, Christie G.

doi:10.1002/oms.1210230805

Cited by 14 publications

(8 citation statements)

References 15 publications

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“…The mass difference corresponds to the mass of a specified neutral fragment, i.e., m2 = mxk, where k = mass of neutral fragment. More generally (10), any prescribed relationship between the masses, i.e., m2 = f(mx), may be chosen as the defined transition; hence, the constant neutral loss (gain) scan is just one particular member of the more general class of scans referred to as "functional relationship" scans and represented by symbol 7 in Figure 1.…”

Section: Ms1 (Ms)mentioning

confidence: 99%

“…We have therefore used the term product spectrum for daughter spectrum whenever possible.) Recently, the neutral loss (gain) scan has been recognized as a special case of a more general scan type, the functional relationship scan (10). Each of these four MS/MS experiments represents a subset of the complete MS/MS data domain (11), and each has its own particular utility when applied in solving particular problems.…”

Section: Introductionmentioning

confidence: 99%

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Systematic delineation of scan modes in multidimensional mass spectrometry

Jc¹,

Ap²,

Cg³

et al. 1990

Anal. Chem.

194

144

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A logical analysis of mass spectrometric scan modes is performed that reveals the full set of experiments available in multidimensional mass spectrometry. The analysis utilizes a symbolism that helps provide an organizational scheme for the representation and classification of the wide variety of experiments that exist. In general, for an n-stage experiment, there is a closed set of experimental modes producing spectral types that vary in mass dimensionality from 0 to n. There is a total of 2n experiments that have 1 or 0 mass dimensions, along with an increasing number of experiments of higher mass dimensionality. There also exists a set of 2n fundamental scan modes, viz., experiments in which only mass-to-charge ratios of individual ions, but not their interrelationships, are specified. Scans in which functional relationships between ion masses are defined (e.g., neutral loss scans) introduce complexity into the total number of scan types available in an MSn experiment, giving a total of 1, 2, 5, 15, 52, and 203 experiments of 0 through 5th order, respectively. It is shown that combinations of data from lower order experiments can be used to construct higher order spectra. Extraction of data of lower mass dimensionality from data of higher dimensionality is also demonstrated. A different method of reducing dimensionality, projection of dispersed data back into a smaller number of mass dimensions, is also introduced and characterized. The analysis reveals several new types of scan modes including an MS/MS/MS scan having unit mass dimensionality, referred to as the selective neutral-loss scan, and several new MS/MS/MS scans that are two-dimensional in mass. Examples of these new experiments are provided, and their potential value is discussed.

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Section: Ms1 (Ms)mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Systematic delineation of scan modes in multidimensional mass spectrometry

Jc¹,

Ap²,

Cg³

et al. 1990

Anal. Chem.

194

144

View full text Add to dashboard Cite

show abstract

“…Among the activation methods for MS/MS are collision-induced dissociation (CID), ultraviolet photodissociation, − infrared multiphoton dissociation, electron transfer dissociation, surface-induced dissociation, − and others. Collision-induced dissociation has been especially notable in the development of the suite of MS/MS scan modes which includes three prominent members, product ion scans, precursor ion scans, and neutral loss scans, , as well as other notable modes, doubly charged ion scans, reaction intermediate scans, multiple reaction monitoring, and functional relationship scans . Of interest in this work is the neutral loss scan, which is readily implemented in multianalyzer instruments such as the triple quadrupole but not previously accessible with any single mass analyzer operated in a data-independent mode.…”

mentioning

confidence: 99%

Single Analyzer Neutral Loss Scans in a Linear Quadrupole Ion Trap Using Orthogonal Double Resonance Excitation

Snyder

Cooks

2017

Anal. Chem.

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In this follow-up paper to our previous work on single analyzer precursor ion scans in a linear quadrupole ion trap (Snyder, D. T.; Cooks, R. G. Single analyzer precursor ion scans in a linear quadrupole ion trap using orthogonal double resonance excitation. J. Am. Soc. Mass Spectrom. 2017, DOI: 10.1007/s13361-017-1707-y), we now report the development of single analyzer neutral loss scans in a linear quadrupole ion trap using orthogonal double resonance excitation. Methodologically, there are three key differences between single analyzer precursor ion scans and neutral loss scans under constant radiofrequency (rf) conditions: (1) in the latter experiment, both excitation and ejection frequencies must be scanned, whereas in the former the ejection frequency is fixed, (2) the need to maintain a constant neutral loss while incrementing both precursor and product ion masses, complicated by the complex relationship between secular frequency and mass, requires use of two simultaneous frequency scans, both linear in mass, and (3) because the ejection frequency is scanned, a third ac signal occurring between the ac excitation and ac ejection frequency scans must also be applied and scanned in order to reject artifact peaks caused by ejection of unfragmented precursor ions. Using this methodology, we demonstrate neutral loss scans on a commercial linear ion trap using mixtures of illicit drugs and acylcarnitines. We also demonstrate neutral loss scanning on a Populus deltoides leaf and on a lignin sample, both significantly more complex mixtures.

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“…A more complex scan function is necessary for a neutral loss scan, recording those ions that lose a given neutral, e.g., H 2 O. Other scan functions have been devised [38]. Although originally developed for sectorfield instruments, analogous scanning techniques are available for triple quadrupole mass spectrometers.…”

mentioning

confidence: 99%

Half protons or doubly charged protons? The history of metastable ions

Budzikiewicz

Grigsby²

2004

J. Am. Soc. Mass Spectrom.

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The history of metastable ions is intertwined with that of ions formed by collision-induced dissociation (CID), and frequently the genesis of the two ion types cannot be strictly separated. Originally, metastable ions were considered a curiosity or even a nuisance, being responsible for "humps" in the base line of the recorded mass spectra. In their heyday metastable ions were recognized as having importance for establishing fragmentation sequences and for distinguishing between isomeric ion structures. Today, in many respects the utility of metastable ions has been superseded by a systematic application of CID techniques; yet the evaluation of their shape is still of importance for questions of reaction energies and ion thermochemistry. (J Am Soc Mass Spectrom 2004, 15, 1261-1265

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The functional relationship scan in tandem mass spectrometry

Cited by 14 publications

References 15 publications

Systematic delineation of scan modes in multidimensional mass spectrometry

Systematic delineation of scan modes in multidimensional mass spectrometry

Single Analyzer Neutral Loss Scans in a Linear Quadrupole Ion Trap Using Orthogonal Double Resonance Excitation

Half protons or doubly charged protons? The history of metastable ions

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