“Resolution (mass spectrometry)”的意思、由来-开放百科全书

In mass spectrometry, resolution is a measure of the ability to distinguish two peaks of slightly different mass-to-charge ratios ΔM, in a mass spectrum.

Resolution and resolving power

There are two different definitions of resolution and resolving power in mass spectrometry.

IUPAC definition

Where a larger resolution indicates a better separation of peaks.^[1]^[2] This definition is used in a number of mass spectrometry texts.^[3]^[4]^[5]^[6]^[7]^[8]^[9]^[10]^[11] This use is also implied by the term "high-resolution mass spectrometry."^[12]

A high value for resolution corresponding to good separation of peaks is similar to the convention used with chromatography separations,^[13] although it is important to note that the definitions are not the same.^[14] High resolution indicating better peak separation is also used in ion mobility spectrometry^[15]

Resolving power definition

Some mass spectrometrists use the definition that is similar to definitions used in some other fields of physics and chemistry. In this case, resolving power is defined as:

The minimum peak separation ΔM which allows to distinguish two ion species is then called:

Resolution and resolving power, when defined in this way, are consistent with IUPAC recommendations for microscopy, optical spectroscopy.^[16]^[17] and ion microscopy (SIMS) ^[18] but not gas chromatography.^[13]

Measuring peak separation

There are several ways to define the minimum peak separation ΔM in mass spectrometry, therefore it is important to report the method used to determine mass resolution when reporting its value.

The two most widely used are the peak width definition and the valley definition.^[1]

Peak width definition

In the peak width definition, the value of ΔM is the width of the peak measured at a specified fraction of the peak height, for example 0.5%, 5%, 10% or 50%. The latter is called the full width at half maximum (FWHM).

Valley definition

The valley definition defines ΔM as the closest spacing of two peaks of equal intensity with the valley (lowest value of signal) between them less than a specified fraction of the peak height. Typical values are 10% or 50%. The value obtained from a 5% peak width is roughly equivalent to a 10% valley.^[1]

See also

References

1. ^¹²{{GoldBookRef|title=resolution in mass spectroscopy|file=R05318}}
2. ^{{GoldBookRef|title=resolving power in mass spectrometry|file=R05321}}
3. ^{{cite book |title=Mass Spectrometry: Organic Chemical Applications |last=Biemann |first= Klaus |year=1962 |publisher=McGraw-Hill |location=New York |isbn=0-07-005235-2 |page=13 |pages= |url= }}
4. ^{{cite book |author1=Tureček, František |author2=McLafferty, Fred W. |title=Interpretation of mass spectra |publisher=University Science Books |location=Sausalito, Calif |year=1993 |pages= |isbn=0-935702-25-3 |oclc= |doi= |accessdate=}}
5. ^{{cite book |author=Watson, J. S. |title=Introduction to mass spectrometry |publisher=Lippincott-Raven |location=Philadelphia |year=1997 |pages= |isbn=0-397-51688-6 |oclc= |doi= |accessdate=}}
6. ^{{cite book |author=Ashcroft, Alison E. |title=Ionization methods in organic mass spectrometry |publisher=Royal Society of Chemistry |location=Cambridge, Eng |year=1997 |pages= |isbn=0-85404-570-8 |oclc= |doi= |accessdate=}}
7. ^{{cite book |author1=JURGEN H. GROSS |author2=Jnrgen H. Gross |title=Mass Spectrometry: A Textbook |publisher=Springer-Verlag |location=Berlin |year=2004 |pages= |isbn=3-540-40739-1 |oclc= |doi= |accessdate=}}
8. ^{{cite book |author1=Todd, John F. J. |author2=March, Raymond E. |title=Quadrupole ion trap mass spectrometry |publisher=Wiley-Interscience |location=New York |year=2005 |pages= |isbn=0-471-48888-7 |oclc= |doi= |accessdate=}}
9. ^{{cite book |author=Siuzdak, Gary |title=The Expanding Role of Mass Spectrometry in Biotechnology, Second Edition |publisher=MCC Press |location= |year=2006 |pages= |isbn=0-9742451-2-7 |oclc= |doi= |accessdate=}}
10. ^{{cite book|author1=Stroobant, Vincent |author2=Hoffmann, Edmond de |title=Mass spectrometry: principles and applications |publisher=J. Wiley |location=London |year=2007 |pages= |isbn=0-470-03310-X |oclc= |doi= |accessdate=}}
11. ^{{cite book |author=Ingvar Eidhammer |title=Computational methods for mass spectrometry proteomics |publisher=John Wiley & Sons |location=Chichester |year=2007 |pages= |isbn=0-470-51297-0 |oclc= |doi= |accessdate=}}
12. ^{{cite journal |vauthors=VanLear GE, McLafferty FW |title=Biochemical aspects of high-resolution mass spectrometry |journal=Annu. Rev. Biochem. |volume=38 |issue= |pages=289–322 |year=1969 |pmid=4896241 |doi=10.1146/annurev.bi.38.070169.001445 |url=http://arjournals.annualreviews.org/doi/abs/10.1146/annurev.bi.38.070169.001445?url_ver=Z39.88-2003&rfr_id=ori:rid:crossref.org&rfr_dat=cr_pub%3dncbi.nlm.nih.gov}}
13. ^¹{{GoldBookRef|title=resolution in gas chromatography|file=R05317}}
14. ^{{cite journal |vauthors=Blumberg LM, Kle MS |title=Metrics of separation in chromatography |journal=J Chromatogr A |volume=933 |issue=1–2 |pages=1–11 |date=November 2001 |pmid=11758739 |doi= 10.1016/S0021-9673(01)01256-0|url=}}
15. ^{{cite book |author1=Karpas, Zeev |author2=Eiceman, Gary Alan |title=Ion mobility spectrometry |publisher=CRC Press |location=Boca Raton |year=2005 |pages= |isbn=0-8493-2247-2 |oclc= |doi= |accessdate=}}
16. ^{{GoldBookRef|title=resolution in optical spectroscopy|file=R05319}}
17. ^{{GoldBookRef|title=resolving power in optical spectroscopy|file=R05322}}
18. ^{{GoldBookRef|title=resolving power in ion microscopy|file=I03221}}
19. ^{{cite book |author=David O. Sparkman |title=Mass Spectrometry Desk Reference |publisher=Global View Pub |location=Pittsburgh |year=2006 |pages= |isbn=0-9660813-9-0 |oclc= |doi= |accessdate=}}
20. ^{{cite book |author=Sparkman, O. David |title=Introduction to mass spectrometry: instrumentation, applications and strategies for data interpretation |publisher=John Wiley & Sons |location=Chichester |year=2007 |pages= |isbn=0-470-51634-8 |oclc= |doi= |accessdate=}}
21. ^{{cite book |author=Dass, Chhabil |title=Fundamentals of contemporary mass spectrometry |publisher=John Wiley & Sons |location=Chichester |year=2007 |pages= |isbn=0-471-68229-2 |oclc= |doi= |accessdate=}}