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Kendrick mass

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It has been suggested that Kendrick unit be merged into this article. (Discuss) Proposed since August 2010.

The Kendrick mass is a mass obtained by scaling International System of Units (SI) masses such as atomic mass unit (u), or dalton (Da) to simplify the display of peak patterns in hydrocarbon mass spectra.

Definition

The Kendrick mass scale is obtained by setting the mass of the CH2 radical to 14.00000. SI unit mass can be converted to ‘‘Kendrick’’ mass using

K e n d r i c k   m a s s = S I   m a s s × 14.00000 14.01565 {\displaystyle Kendrick~mass=SI~mass\times {\frac {14.00000}{14.01565}}} .

Thus the mass in dalton units (Da) can be converted to the Kendrick scale by dividing by 1.0011178.

Kendrick mass defect

The Kendrick mass defect is defined as the exact Kendrick mass subtracted from the nominal (integer) Kendrick mass:

K e n d r i c k   m a s s   d e f e c t = n o m i n a l   K e n d r i c k   m a s s − K e n d r i c k   m a s s {\displaystyle Kendrick~mass~defect=nominal~Kendrick~mass-Kendrick~mass}

An alkylation series have the same degree of saturation and number of heteroatoms (nitrogen, oxygen and sulfur) but differ by the number of CH2 units. Members of an alkylation series have the same Kendrick mass defect.

Notation

Although a "Kendrick unit" has not been defined, the symbol Ke has been used in one recent publication.

Notes

  1. ^ Kendrick, Edward (1963). "A mass scale based on CH2 = 14.0000 for high resolution mass spectrometry of organic compounds". Anal. Chem. 35: 2146–2154. doi:10.1021/ac60206a048. Retrieved 2010-01-25. {{cite journal}}: Cite has empty unknown parameter: |coauthors= (help)
  2. Marshall AG, Rodgers RP (2004). "Petroleomics: the next grand challenge for chemical analysis". Acc. Chem. Res. 37 (1): 53–9. doi:10.1021/ar020177t. PMID 14730994. {{cite journal}}: Unknown parameter |month= ignored (help)
  3. ^ Marshall, A. G.; Rodgers, R. P. (2008). "Mass Spectrometry Special Feature: Petroleomics: Chemistry of the underworld". Proceedings of the National Academy of Sciences. 105: 18090. doi:10.1073/pnas.0805069105.
  4. Hughey CA, Hendrickson CL, Rodgers RP, Marshall AG, Qian K (2001). "Kendrick mass defect spectrum: a compact visual analysis for ultrahigh-resolution broadband mass spectra". Anal. Chem. 73 (19): 4676–81. doi:10.1021/ac010560w. PMID 11605846. {{cite journal}}: Unknown parameter |month= ignored (help)CS1 maint: multiple names: authors list (link)
  5. Junninen, H.; Ehn, M.; Petäjä, T.; Luosujärvi, L.; Kotiaho, T.; Kostiainen, R.; Rohner, U.; Gonin, M.; Fuhrer, K. (2010). "A high-resolution mass spectrometer to measure atmospheric ion composition". Atmospheric Measurement Techniques. 3: 1039. doi:10.5194/amt-3-1039-2010.{{cite journal}}: CS1 maint: unflagged free DOI (link)
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