Table 2:

Purity of normal and deuterated isotopologues of the standard odorant set

h-1-Hexanol (Fluka Analytical)d2-1-Hexanol
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
14.314BB0.02732.695001.632990.0447514.622BB0.03014.95090e-12.61661e-10.00676
25.653BB0.03697.43677e-13.22039e-10.0123524.847BB0.03262.159941.024670.02950
36.214BB0.05786012.025881353.5623899.8284135.638BV0.03101.220296.18148e-10.01667
414.426BB0.19296.894914.49524e-10.1144946.277BB0.07107312.04831446.413099.88262
56.953BB0.04041.715845.82760e-10.02344
69.090BB0.02518.65162e-15.27801e-10.01182
711.268BB0.02801.232817.18195e-10.01684
811.420BB0.02583.41531e-12.24189e-10.00467
913.871BB0.03245.62412e-12.92345e-10.00768
d5-1-Hexanold13-1-Hexanol (lot X241P13)
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
12.904BB0.02571.002436.49066e-10.0140713.645BB0.03284.77799e-12.67615e-10.00709
24.796BB0.03396.672623.279780.0936524.734VB0.030912.459236.336060.18490
35.215BB0.03262.845801.351650.0399435.429BB0.04963.095938.68688e-10.04594
46.232BV0.07397097.003911337.3216699.6015345.695BB0.03648.49879e-13.48745e-10.01261
56.688VB0.04225.866932.267360.0823456.127BB0.08106720.699711285.2616099.73692
67.574BB0.03278.289193.915700.1163367.432BB0.03688.44513e-13.97840e-10.01253
78.113BB0.03359.32212e-15.06874e-10.01308
810.646BB0.03172.783441.652480.03906
h-Benzaldehyde (Sigma)d6-Benzaldehyde (lot H468P23)
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
12.083BB0.02142.73390e-12.07438e-10.0024812.702BB0.04034.312831.783000.05008
22.445BB0.02128.67375e-16.65289e-10.0078828.869BB0.07188558.878911929.2619699.39384
35.213BB0.02733.35924e-12.02958e-10.00305310.612BB0.04381.065924.46972e-10.01238
48.686BB0.06681.08576e42400.0864398.68858412.554BB0.04109.164745.101100.10643
59.365BB0.02903.974092.205850.3612513.386BB0.05845.535461.524840.06428
610.762BB0.03092.219291.133010.02017615.041BB0.046112.582184.875590.14612
719.732BBA0.0395136.6102450.656811.24170719.918BB0.048419.535907.040300.22687
h-Benzoic acidd5-Benzoic acid
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
119.730BBA0.043985.0027729.258341.00e2119.658BBA0.0395284.06458105.292331.00e2
h-2-hexanoned5-2-hexanone
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
12.122VV0.01721.228251.174010.0177712.567BB0.02523.988763.518040.05061
23.393BV0.04106898.309082597.1171999.8126622.792BV0.03104.36951e-12.68910e-10.00554
37.690BB0.03293.769771.767180.0545533.342VB0.05057864.653322381.0346799.79115
410.191BB0.02777.949504.473420.1150243.766BB0.042711.394214.323010.14458
54.857BB0.03236.40037e-13.06994e-10.00812
h-Benzonitriled5-Benzonitrile
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
Peak
#
Ret time
(min)
TypeWidth
(min)
Area
(pA*s)
Height
(pA)
Area
%
110.234BB0.05579508.750982276.433111.000e214.644BB0.03442.180021.134410.01571
25.058BB0.03514.69176e-12.36558e-10.00338
36.316BB0.031118.410029.866470.13265
47.883BB0.04002.808531.025080.02024
510.188BB0.08081.38512e42657.1569899.80494
615.243BB0.03896.83049e-12.95831e-10.00492
719.561BB0.05782.519857.02758e-10.01816
  • Results from gas chromatograms of normal, partially deuterated, and perdeuterated odorants used in the standard odorant set and relevant related odorants. The percentage (Area %) of the total that constitutes the main species within each preparation is shown in bold, as are those of all other species. For the hexanol isotopologues, the purity of all preparations was >99.6%. Contaminants varied with minimal overlap among the isotopologues and with the most abundant contaminant at 0.1–0.2%, but most others are at least 10-fold lower. Normal benzaldehyde purity was 98.7%, but the most abundant contaminant was benzoic acid (peak 7), while the contribution of others was negligible. Similarly, for d6-BNZ with 99.4% purity the most abundant contaminant was d5-benzoic acid (peak 7), as indicated by mass spectroscopy (data not shown). Solid normal and deuterated benzoic acid were dissolved in ethanol to generate a 1% solution, which did not show additional contaminants (benzoic acid isotopologues at 19.730 and 19.658 Ret times). Both hexanone isotopologues exhibited over 99.8% purity, while the contribution of contaminants was negligible. Normal benzonitrile was totally pure, while the deuterated isotopologue was 99.8% pure with negligible contribution from contaminants. Ret time, retention time; BB, Baseline to baseline; BV, Baseline to valley; VB, Valley to baseline; VV, Valley to valley.