Identification of volatile compounds was based on comparison of spectra using the Wiley 275 Library (Wiley and Sons Inc., New York, USA).
We made preliminary compound identifications using the Wiley mass spectral library (Mclafferty 2000), then confirmed all identifications with synthetic standards.
Mass spectra of eluting sugars were identified using the Wiley Registry of Mass Spectral Data (Wiley-Blackwell, Hoboken, NJ, USA), and all compounds were verified by subsequent analysis of pure standards.
Different VOCs were identified by comparing their mass spectra with the Wiley library and pure standards.
The compounds were identified and quantified by comparing the spectra of external standards for available compounds and the Wiley library (John Wiley & Sons ,Ltd, Chichester, UK).
Based on the molecular ion fragmentation pattern of this peak (characterized m/e of 98), it was identified as methyl cyclohexane using Wiley library (8e Mass Spectral Library).
Using the Photos library repair tool.
The GC-MS peaks were identified by comparison with data found in the literature and characterized using the library search software of Shimadzu Class-Vp (Wiley 138 and Nist 98 databases).
This DNA pool (800 ng to 3 µg) was transformed to DNA libraries by using a GS DNA library preparation kit (Roche, Mannheim, Germany) using the protocol of Wiley and colleagues [11] with the modifications of Leifer and colleagues [12].
Mass spectra were acquired in a scan mode, while qualitative analysis was based on library search by using the following mass spectral libraries: FFNSC GC/MS Ver. 1.3 and Metabolite Component Database by Shimadzu, Wiley 7, NIST 11 and NIST 11 s.
