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. 2013 Jan 25;8(1):e55780. doi: 10.1371/journal.pone.0055780

Figure 2. GC and MS spectra of deuterated cyclopentadecanone.

Figure 2

A: GC trace of a deliberate, approximately equimolar mixture of deuterated [D] and undeuterated [H] cyclopentadecanone. Good chromatographic separation is obtained, with a difference in retention time of approximately 1.2 minutes. B: GC trace of a different sample of deuterated cyclopentadecanone, coupled to mass spectrometry. C: Full GC trace of a sample of deuterated cyclopentadecanone after silica gel purification. The solvent peaks at retention times <15 min amount to 5% of total, and the alkane peaks [identified by MS] at 42–43 minutes amount to less than 1%. Peak D is then repurified by preparative GC and used in the smelling tests. D, E and F: Mass spectra obtained by sampling B at 51.21, 51.42 and 51.76 minutes. The units of the abscissa are daltons/unit charge. Consistent with panel A where the deuterated cyclopentadecanone exits the column before the undeuterated exaltone, the perdeuterated species [d-28] exits the column first followed by less deuterated d-26 and d-18 fractions.