h-1-Hexanol (Fluka Analytical) | d2-1-Hexanol | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % | Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % |
1 | 4.314 | BB | 0.0273 | 2.69500 | 1.63299 | 0.04475 | 1 | 4.622 | BB | 0.0301 | 4.95090e-1 | 2.61661e-1 | 0.00676 |
2 | 5.653 | BB | 0.0369 | 7.43677e-1 | 3.22039e-1 | 0.01235 | 2 | 4.847 | BB | 0.0326 | 2.15994 | 1.02467 | 0.02950 |
3 | 6.214 | BB | 0.0578 | 6012.02588 | 1353.56238 | 99.82841 | 3 | 5.638 | BV | 0.0310 | 1.22029 | 6.18148e-1 | 0.01667 |
4 | 14.426 | BB | 0.1929 | 6.89491 | 4.49524e-1 | 0.11449 | 4 | 6.277 | BB | 0.0710 | 7312.0483 | 1446.4130 | 99.88262 |
5 | 6.953 | BB | 0.0404 | 1.71584 | 5.82760e-1 | 0.02344 | |||||||
6 | 9.090 | BB | 0.0251 | 8.65162e-1 | 5.27801e-1 | 0.01182 | |||||||
7 | 11.268 | BB | 0.0280 | 1.23281 | 7.18195e-1 | 0.01684 | |||||||
8 | 11.420 | BB | 0.0258 | 3.41531e-1 | 2.24189e-1 | 0.00467 | |||||||
9 | 13.871 | BB | 0.0324 | 5.62412e-1 | 2.92345e-1 | 0.00768 | |||||||
d5-1-Hexanol | d13-1-Hexanol (lot X241P13) | ||||||||||||
Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % | Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % |
1 | 2.904 | BB | 0.0257 | 1.00243 | 6.49066e-1 | 0.01407 | 1 | 3.645 | BB | 0.0328 | 4.77799e-1 | 2.67615e-1 | 0.00709 |
2 | 4.796 | BB | 0.0339 | 6.67262 | 3.27978 | 0.09365 | 2 | 4.734 | VB | 0.0309 | 12.45923 | 6.33606 | 0.18490 |
3 | 5.215 | BB | 0.0326 | 2.84580 | 1.35165 | 0.03994 | 3 | 5.429 | BB | 0.0496 | 3.09593 | 8.68688e-1 | 0.04594 |
4 | 6.232 | BV | 0.0739 | 7097.00391 | 1337.32166 | 99.60153 | 4 | 5.695 | BB | 0.0364 | 8.49879e-1 | 3.48745e-1 | 0.01261 |
5 | 6.688 | VB | 0.0422 | 5.86693 | 2.26736 | 0.08234 | 5 | 6.127 | BB | 0.0810 | 6720.69971 | 1285.26160 | 99.73692 |
6 | 7.574 | BB | 0.0327 | 8.28919 | 3.91570 | 0.11633 | 6 | 7.432 | BB | 0.0368 | 8.44513e-1 | 3.97840e-1 | 0.01253 |
7 | 8.113 | BB | 0.0335 | 9.32212e-1 | 5.06874e-1 | 0.01308 | |||||||
8 | 10.646 | BB | 0.0317 | 2.78344 | 1.65248 | 0.03906 | |||||||
h-Benzaldehyde (Sigma) | d6-Benzaldehyde (lot H468P23) | ||||||||||||
Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % | Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % |
1 | 2.083 | BB | 0.0214 | 2.73390e-1 | 2.07438e-1 | 0.00248 | 1 | 2.702 | BB | 0.0403 | 4.31283 | 1.78300 | 0.05008 |
2 | 2.445 | BB | 0.0212 | 8.67375e-1 | 6.65289e-1 | 0.00788 | 2 | 8.869 | BB | 0.0718 | 8558.87891 | 1929.26196 | 99.39384 |
3 | 5.213 | BB | 0.0273 | 3.35924e-1 | 2.02958e-1 | 0.00305 | 3 | 10.612 | BB | 0.0438 | 1.06592 | 4.46972e-1 | 0.01238 |
4 | 8.686 | BB | 0.0668 | 1.08576e4 | 2400.08643 | 98.68858 | 4 | 12.554 | BB | 0.0410 | 9.16474 | 5.10110 | 0.10643 |
5 | 9.365 | BB | 0.0290 | 3.97409 | 2.20585 | 0.3612 | 5 | 13.386 | BB | 0.0584 | 5.53546 | 1.52484 | 0.06428 |
6 | 10.762 | BB | 0.0309 | 2.21929 | 1.13301 | 0.02017 | 6 | 15.041 | BB | 0.0461 | 12.58218 | 4.87559 | 0.14612 |
7 | 19.732 | BBA | 0.0395 | 136.61024 | 50.65681 | 1.24170 | 7 | 19.918 | BB | 0.0484 | 19.53590 | 7.04030 | 0.22687 |
h-Benzoic acid | d5-Benzoic acid | ||||||||||||
Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % | Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % |
1 | 19.730 | BBA | 0.0439 | 85.00277 | 29.25834 | 1.00e2 | 1 | 19.658 | BBA | 0.0395 | 284.06458 | 105.29233 | 1.00e2 |
h-2-hexanone | d5-2-hexanone | ||||||||||||
Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % | Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % |
1 | 2.122 | VV | 0.0172 | 1.22825 | 1.17401 | 0.01777 | 1 | 2.567 | BB | 0.0252 | 3.98876 | 3.51804 | 0.05061 |
2 | 3.393 | BV | 0.0410 | 6898.30908 | 2597.11719 | 99.81266 | 2 | 2.792 | BV | 0.0310 | 4.36951e-1 | 2.68910e-1 | 0.00554 |
3 | 7.690 | BB | 0.0329 | 3.76977 | 1.76718 | 0.05455 | 3 | 3.342 | VB | 0.0505 | 7864.65332 | 2381.03467 | 99.79115 |
4 | 10.191 | BB | 0.0277 | 7.94950 | 4.47342 | 0.11502 | 4 | 3.766 | BB | 0.0427 | 11.39421 | 4.32301 | 0.14458 |
5 | 4.857 | BB | 0.0323 | 6.40037e-1 | 3.06994e-1 | 0.00812 | |||||||
h-Benzonitrile | d5-Benzonitrile | ||||||||||||
Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % | Peak # | Ret time (min) | Type | Width (min) | Area (pA*s) | Height (pA) | Area % |
1 | 10.234 | BB | 0.0557 | 9508.75098 | 2276.43311 | 1.000e2 | 1 | 4.644 | BB | 0.0344 | 2.18002 | 1.13441 | 0.01571 |
2 | 5.058 | BB | 0.0351 | 4.69176e-1 | 2.36558e-1 | 0.00338 | |||||||
3 | 6.316 | BB | 0.0311 | 18.41002 | 9.86647 | 0.13265 | |||||||
4 | 7.883 | BB | 0.0400 | 2.80853 | 1.02508 | 0.02024 | |||||||
5 | 10.188 | BB | 0.0808 | 1.38512e4 | 2657.15698 | 99.80494 | |||||||
6 | 15.243 | BB | 0.0389 | 6.83049e-1 | 2.95831e-1 | 0.00492 | |||||||
7 | 19.561 | BB | 0.0578 | 2.51985 | 7.02758e-1 | 0.01816 |
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.