| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-0002-9000000000-a15185ca3da2eb72c9dd | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-006t-9000000000-3b353ea9f033af3d7ad3 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane CI-B (Non-derivatized) | splash10-0002-9400000000-516028f89361714358f7 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-0002-9000000000-6582cb6aae4d8aeab82a | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-0002-9000000000-1f9d4f5641ee98603aa4 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-006t-9100000000-7effe9459ca9da9eed08 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-0002-9000000000-a15185ca3da2eb72c9dd | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-006t-9000000000-3b353ea9f033af3d7ad3 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane CI-B (Non-derivatized) | splash10-0002-9400000000-516028f89361714358f7 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-0002-9000000000-6582cb6aae4d8aeab82a | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-0002-9000000000-1f9d4f5641ee98603aa4 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - 1,1-Diethoxyethane EI-B (Non-derivatized) | splash10-006t-9100000000-7effe9459ca9da9eed08 | 2018-05-18 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1,1-Diethoxyethane GC-MS (Non-derivatized) - 70eV, Positive | splash10-00fr-9000000000-7a533ffac0916e855eb5 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1,1-Diethoxyethane GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 10V, Negative-QTOF | splash10-014i-4900000000-5a42c2c1f496d2219a26 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 20V, Negative-QTOF | splash10-014i-9800000000-6c9f047b6866d8a9ae27 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 40V, Negative-QTOF | splash10-006w-9000000000-bce62bdca4639d7f46fb | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 10V, Negative-QTOF | splash10-05g0-9000000000-c392373f19f1f0fd2663 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 20V, Negative-QTOF | splash10-00di-9000000000-381aa0538e4050537029 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 40V, Negative-QTOF | splash10-01ow-9000000000-e757966e0d247425da5e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 10V, Positive-QTOF | splash10-014i-4900000000-d7c42e9c498c7007c294 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 20V, Positive-QTOF | splash10-00r2-9200000000-1151fc8fea5c70a334d1 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 40V, Positive-QTOF | splash10-002b-9000000000-445a84c0043f25b98c3d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 10V, Positive-QTOF | splash10-006t-9000000000-5aaa9d672f0bdef6d0b8 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 20V, Positive-QTOF | splash10-00dj-9000000000-35a559d5879fc02b84eb | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1,1-Diethoxyethane 40V, Positive-QTOF | splash10-00dj-9000000000-c9b53242c3f4210a2f3a | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-30 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
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General References | - Cortes MB, Moreno JJ, Zea L, Moyano L, Medina M: Response of the aroma fraction in sherry wines subjected to accelerated biological aging. J Agric Food Chem. 1999 Aug;47(8):3297-302. [PubMed:10552649 ]
- Bini R, Chiappe C, Marchetti F, Pampaloni G, Zacchini S: Structures and unusual rearrangements of coordination adducts of MX(5) (M = Nb, Ta; X = F, Cl) with simple diethers. A crystallographic, spectroscopic, and computational study. Inorg Chem. 2010 Jan 4;49(1):339-51. doi: 10.1021/ic9020806. [PubMed:19961145 ]
- Pluth MD, Bergman RG, Raymond KN: The acid hydrolysis mechanism of acetals catalyzed by a supramolecular assembly in basic solution. J Org Chem. 2009 Jan 2;74(1):58-63. doi: 10.1021/jo802131v. [PubMed:19113901 ]
- Perestrelo R, Barros AS, Camara JS, Rocha SM: In-depth search focused on furans, lactones, volatile phenols, and acetals as potential age markers of Madeira wines by comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry combined with solid phase microextraction. J Agric Food Chem. 2011 Apr 13;59(7):3186-204. doi: 10.1021/jf104219t. Epub 2011 Mar 4. [PubMed:21375340 ]
- Caruso R, Scordino M, Traulo P, Gagliano G: Determination of volatile compounds in wine by gas chromatography-flame ionization detection: comparison between the U.S. Environmental Protection Agency 3sigma approach and Hubaux-Vos calculation of detection limits using ordinary and bivariate least squares. J AOAC Int. 2012 Mar-Apr;95(2):459-71. [PubMed:22649934 ]
- Kelly J, Chapman S, Brereton P, Bertrand A, Guillou C, Wittkowski R: Gas chromatographic determination of volatile congeners in spirit drinks: interlaboratory study. J AOAC Int. 1999 Nov-Dec;82(6):1375-88. [PubMed:10589492 ]
- Tsuzuki W, Ue A, Nagao A: Polar organic solvent added to an aqueous solution changes hydrolytic property of lipase. Biosci Biotechnol Biochem. 2003 Aug;67(8):1660-6. [PubMed:12951497 ]
- Shi XY, He KB, Zhang J, Ge YS, Tan JW: [Effects of oxygenated fuels on emissions and carbon composition of fine particles from diesel engine]. Huan Jing Ke Xue. 2009 Jun 15;30(6):1561-6. [PubMed:19662831 ]
- Peinado RA, Moreno JJ, Maestre O, Ortega JM, Medina M, Mauricio JC: Gluconic acid consumption in wines by Schizosaccharomyces pombe and its effect on the concentrations of major volatile compounds and polyols. J Agric Food Chem. 2004 Feb 11;52(3):493-7. [PubMed:14759138 ]
- Peinado RA, Moreno JA, Munoz D, Medina M, Moreno J: Gas chromatographic quantification of major volatile compounds and polyols in wine by direct injection. J Agric Food Chem. 2004 Oct 20;52(21):6389-93. [PubMed:15478997 ]
- El-Zayat WA, El-Sayed WA, Abdel-Rahman AA: Anti-hepatitis B virus activity of new pyrimidine and adenine peptide nucleic acid analogues. Z Naturforsch C. 2009 Jan-Feb;64(1-2):6-10. [PubMed:19323259 ]
- Liu H, Iglesia E: Selective oxidation of methanol and ethanol on supported ruthenium oxide clusters at low temperatures. J Phys Chem B. 2005 Feb 17;109(6):2155-63. [PubMed:16851207 ]
- Ceppatelli M, Fanetti S, Citroni M, Bini R: Photoinduced reactivity of liquid ethanol at high pressure. J Phys Chem B. 2010 Dec 2;114(47):15437-44. doi: 10.1021/jp106516t. Epub 2010 Nov 5. [PubMed:21053928 ]
- Fan W, Qian MC: Headspace solid phase microextraction and gas chromatography-olfactometry dilution analysis of young and aged Chinese "Yanghe Daqu" liquors. J Agric Food Chem. 2005 Oct 5;53(20):7931-8. [PubMed:16190652 ]
- Marchetti F, Pampaloni G, Zacchini S: From 1,2-dialkoxyalkanes to 1,4-dioxanes. A transformation mediated by NbCl(5)via multiple C-O bond cleavage at room temperature. Chem Commun (Camb). 2008 Aug 21;(31):3651-3. doi: 10.1039/b804432e. Epub 2008 Jun 9. [PubMed:18665288 ]
- Moyano L, Zea L, Moreno J, Medina M: Analytical study of aromatic series in sherry wines subjected to biological aging. J Agric Food Chem. 2002 Dec 4;50(25):7356-61. [PubMed:12452658 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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