Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 17:53:39 UTC |
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Update Date | 2022-03-07 02:53:35 UTC |
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HMDB ID | HMDB0033087 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Donhexocin |
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Description | Donhexocin belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Based on a literature review a small amount of articles have been published on Donhexocin. |
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Structure | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3 |
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Synonyms | Value | Source |
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3-(2,8,13,14,17,18-Hexahydroxytriacontyl)-5-methyl-2(5H)-furanone | HMDB |
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Chemical Formula | C35H66O8 |
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Average Molecular Weight | 614.8937 |
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Monoisotopic Molecular Weight | 614.475769088 |
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IUPAC Name | 3-(2,8,13,14,17,18-hexahydroxytriacontyl)-5-methyl-2,5-dihydrofuran-2-one |
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Traditional Name | 3-(2,8,13,14,17,18-hexahydroxytriacontyl)-5-methyl-5H-furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O |
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InChI Identifier | InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3 |
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InChI Key | IRCFRVYGUCFTPA-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty alcohols |
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Direct Parent | Annonaceous acetogenins |
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Alternative Parents | |
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Substituents | - Annonaceae acetogenin skeleton
- 2-furanone
- Dihydrofuran
- Alpha,beta-unsaturated carboxylic ester
- Enoate ester
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Polyol
- Hydrocarbon derivative
- Alcohol
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | 120 - 122 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Donhexocin,1TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O | 4949.4 | Semi standard non polar | 33892256 | Donhexocin,1TMS,isomer #2 | CCCCCCCCCCCCC(O)C(CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4951.5 | Semi standard non polar | 33892256 | Donhexocin,1TMS,isomer #3 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O | 4952.2 | Semi standard non polar | 33892256 | Donhexocin,1TMS,isomer #4 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4946.8 | Semi standard non polar | 33892256 | Donhexocin,1TMS,isomer #5 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4963.7 | Semi standard non polar | 33892256 | Donhexocin,1TMS,isomer #6 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C | 4974.5 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4941.5 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #10 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4939.9 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #11 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4912.6 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #12 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C | 4940.7 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #13 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4906.4 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #14 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4932.5 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #15 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4963.2 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #2 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O[Si](C)(C)C)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O | 4871.0 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #3 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4871.8 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #4 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4909.4 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #5 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C | 4935.7 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #6 | CCCCCCCCCCCCC(O)C(CCC(O[Si](C)(C)C)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4878.5 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #7 | CCCCCCCCCCCCC(O)C(CCC(O)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4867.8 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #8 | CCCCCCCCCCCCC(O)C(CCC(O)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4912.7 | Semi standard non polar | 33892256 | Donhexocin,2TMS,isomer #9 | CCCCCCCCCCCCC(O)C(CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4940.3 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(CCC(O[Si](C)(C)C)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4809.5 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #10 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O)C(O)CCCCC(CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4819.2 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #11 | CCCCCCCCCCCCC(O)C(CCC(O[Si](C)(C)C)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4806.2 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #12 | CCCCCCCCCCCCC(O)C(CCC(O[Si](C)(C)C)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4787.7 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #13 | CCCCCCCCCCCCC(O)C(CCC(O[Si](C)(C)C)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4808.1 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #14 | CCCCCCCCCCCCC(O)C(CCC(O)C(CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 4775.7 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #15 | CCCCCCCCCCCCC(O)C(CCC(O)C(CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 4793.2 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #16 | CCCCCCCCCCCCC(O)C(CCC(O)C(O)CCCCC(CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 4827.4 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #17 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C)C(CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4829.5 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #18 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C)C(CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4857.6 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #19 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C)C(O)CCCCC(CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4826.7 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #2 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(CCC(O)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4804.0 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #20 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(CCCCC(CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 4814.9 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #3 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(CCC(O)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4832.7 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #4 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4861.1 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #5 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O[Si](C)(C)C)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4805.2 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #6 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O[Si](C)(C)C)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C | 4779.2 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #7 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O[Si](C)(C)C)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C | 4798.1 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #8 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O)C(CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4776.1 | Semi standard non polar | 33892256 | Donhexocin,3TMS,isomer #9 | CCCCCCCCCCCCC(O[Si](C)(C)C)C(O)CCC(O)C(CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C)O[Si](C)(C)C | 4793.7 | Semi standard non polar | 33892256 | Donhexocin,1TBDMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O | 5172.9 | Semi standard non polar | 33892256 | Donhexocin,1TBDMS,isomer #2 | CCCCCCCCCCCCC(O)C(CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5176.8 | Semi standard non polar | 33892256 | Donhexocin,1TBDMS,isomer #3 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C(C)(C)C)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O | 5177.1 | Semi standard non polar | 33892256 | Donhexocin,1TBDMS,isomer #4 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5172.0 | Semi standard non polar | 33892256 | Donhexocin,1TBDMS,isomer #5 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5193.1 | Semi standard non polar | 33892256 | Donhexocin,1TBDMS,isomer #6 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5195.9 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #1 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5369.5 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #10 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C(C)(C)C)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5370.4 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #11 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C(C)(C)C)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5364.6 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #12 | CCCCCCCCCCCCC(O)C(O)CCC(O[Si](C)(C)C(C)(C)C)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5392.6 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #13 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 5357.5 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #14 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 5384.6 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #15 | CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 5425.0 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #2 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(O)CCC(O[Si](C)(C)C(C)(C)C)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O | 5320.8 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #3 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(O)CCC(O)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5317.4 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #4 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(O)CCC(O)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5358.8 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #5 | CCCCCCCCCCCCC(O[Si](C)(C)C(C)(C)C)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5385.1 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #6 | CCCCCCCCCCCCC(O)C(CCC(O[Si](C)(C)C(C)(C)C)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C | 5328.4 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #7 | CCCCCCCCCCCCC(O)C(CCC(O)C(CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 5318.8 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #8 | CCCCCCCCCCCCC(O)C(CCC(O)C(O)CCCCC(CCCCCC(O)CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 5364.4 | Semi standard non polar | 33892256 | Donhexocin,2TBDMS,isomer #9 | CCCCCCCCCCCCC(O)C(CCC(O)C(O)CCCCC(O)CCCCCC(CC1=CC(C)OC1=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 5390.9 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-2774690000-da97b7ac15947343ddd7 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (1 TMS) - 70eV, Positive | splash10-01bi-5139227000-e6f14545642c3d284368 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_1_6) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_11) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_12) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_13) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_14) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_2_15) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-16 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Donhexocin GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-16 | 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 - Donhexocin 10V, Positive-QTOF | splash10-004j-0000091000-e1588fa98b05ea27166a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 20V, Positive-QTOF | splash10-00os-1865290000-1ff3be1948c909e76fa2 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 40V, Positive-QTOF | splash10-05r0-5985050000-0cb521f3a61b52f67829 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 10V, Negative-QTOF | splash10-03dj-1111097000-20251e81d820344d7a1c | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 20V, Negative-QTOF | splash10-0002-9422151000-1d68084d594222fcacbb | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 40V, Negative-QTOF | splash10-07xs-7689260000-e9cd9efd81064158e343 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 10V, Positive-QTOF | splash10-004i-0002190000-a6230bc5e1d55f72c8c5 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 20V, Positive-QTOF | splash10-056s-3123391000-9c4b4e185ba99ae20783 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 40V, Positive-QTOF | splash10-052f-9212000000-79e203aaaf5d1ce07a52 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 10V, Negative-QTOF | splash10-03di-2001129000-28d8da664f3687f5eb23 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 20V, Negative-QTOF | splash10-01ot-1429452000-6afda38717d16dd78585 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Donhexocin 40V, Negative-QTOF | splash10-000i-9355710000-d5db72377ae676c703a9 | 2021-09-23 | Wishart Lab | View Spectrum |
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