Journal of Analysis and Testing

, Volume 2, Issue 3, pp 263–273 | Cite as

Generalization of Reference System for Calculating the Second Dimension Retention Index in GC × GC–MS

  • Md Aminul Islam Prodhan
  • Ahmed A. Sleman
  • Seongho Kim
  • Craig McClain
  • Xiang Zhang
Original Paper


Using C4–C25 fatty acid methyl esters (C4–C25 FAMEs) as a sample reference series, a method was developed to generalize the reference system for calculating the second dimension retention index (2I) of compounds analyzed by comprehensive two-dimensional gas chromatography–mass spectrometry (GC × GC–MS). The second dimension elution temperature (2Te), second dimension unadjusted retention time (2tR), and the linear retention index (IT) of C4–C25 FAMEs were used to form a second dimension retention index surface (2IS) via a three-dimensional surface fitting model. The 2I of an analyte analyzed by GC × GC–MS was then calculated from the 2IS based on its 2tR and 2Te. The developed method was validated by calculating the 2I of n-alkanes, 80 compounds, and two commercially available mixtures (MegaMix A and MegaMix B). Compared to the conventional method, the developed method keeps the 2I in n-alkane retention index scale, and enables using any compounds as references to obtain a much increased separation space in the second dimension GC.


Retention index Second dimension retention index GC–MS GC × GC–MS 



The authors would like to thank Mrs. Marion McClain for review of this manuscript. This work was supported by NIH grant nos. 1P20GM113226 (CJM), 1P50AA024337 (CJM), 1U01AA021893-01 (CJM), 1U01AA021901-01 (CJM), 1U01AA022489-01A1 (CJM), and 1R01AA023681-01 (CJM). The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. This work was also supported by the Department of Veterans Affairs 1I01BX002996-01A2 (CJM).

Supplementary material

41664_2018_74_MOESM1_ESM.docx (601 kb)
Supplementary material 1 (DOCX 601 kb)


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Copyright information

© The Nonferrous Metals Society of China 2018

Authors and Affiliations

  • Md Aminul Islam Prodhan
    • 1
    • 2
    • 3
    • 4
  • Ahmed A. Sleman
    • 5
  • Seongho Kim
    • 6
    • 8
  • Craig McClain
    • 2
    • 3
    • 6
    • 7
    • 9
  • Xiang Zhang
    • 1
    • 2
    • 3
    • 4
    • 6
  1. 1.Department of ChemistryUniversity of LouisvilleLouisvilleUSA
  2. 2.University of Louisville Alcohol Research CenterLouisvilleUSA
  3. 3.University of Louisville Hepatobiology and Toxicology ProgramLouisvilleUSA
  4. 4.Center for Regulatory and Environmental Analytical MetabolomicsUniversity of LouisvilleLouisvilleUSA
  5. 5.Department of Computer Science and Computer EngineeringUniversity of LouisvilleLouisvilleUSA
  6. 6.Department of Pharmacology and ToxicologyUniversity of LouisvilleLouisvilleUSA
  7. 7.Department of MedicineUniversity of LouisvilleLouisvilleUSA
  8. 8.Department of Oncology, Biostatistics Core, Karmanos Cancer Institute, School of MedicineWayne State UniversityDetroitUSA
  9. 9.Robley Rex Louisville VAMCLouisvilleUSA

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