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 17:35:04 UTC |
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Update Date | 2022-03-07 02:52:26 UTC |
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HMDB ID | HMDB0030147 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Prehumulone |
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Description | Prehumulone belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively. Based on a literature review very few articles have been published on Prehumulone. |
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Structure | CC(C)CCC(=O)C1=C(O)C(O)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O InChI=1S/C22H32O5/c1-13(2)7-9-16-19(24)18(17(23)10-8-14(3)4)21(26)22(27,20(16)25)12-11-15(5)6/h7,11,14,16,26-27H,8-10,12H2,1-6H3 |
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Synonyms | Not Available |
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Chemical Formula | C22H32O5 |
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Average Molecular Weight | 376.4865 |
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Monoisotopic Molecular Weight | 376.224974134 |
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IUPAC Name | 5,6-dihydroxy-2,6-bis(3-methylbut-2-en-1-yl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione |
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Traditional Name | 5,6-dihydroxy-2,6-bis(3-methylbut-2-en-1-yl)-4-(4-methylpentanoyl)cyclohex-4-ene-1,3-dione |
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CAS Registry Number | Not Available |
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SMILES | CC(C)CCC(=O)C1=C(O)C(O)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O |
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InChI Identifier | InChI=1S/C22H32O5/c1-13(2)7-9-16-19(24)18(17(23)10-8-14(3)4)21(26)22(27,20(16)25)12-11-15(5)6/h7,11,14,16,26-27H,8-10,12H2,1-6H3 |
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InChI Key | RWECBKPOUYVUPL-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as m-benzoquinones. These are benzoquinones where the two C=O groups are attached at the 1- and 3-position, respectively. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbonyl compounds |
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Direct Parent | M-benzoquinones |
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Alternative Parents | |
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Substituents | - M-benzoquinone
- Cyclohexenone
- 1,3-diketone
- 1,3-dicarbonyl compound
- Acyloin
- Vinylogous acid
- Tertiary alcohol
- Enol
- Organic oxide
- Hydrocarbon derivative
- Alcohol
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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 | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | 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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Prehumulone,1TMS,isomer #1 | CC(C)=CCC1C(=O)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C1=O | 2579.6 | Semi standard non polar | 33892256 | Prehumulone,1TMS,isomer #2 | CC(C)=CCC1C(=O)C(C(=O)CCC(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2600.1 | Semi standard non polar | 33892256 | Prehumulone,1TMS,isomer #3 | CC(C)=CCC1=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C(O)=C(C(=O)CCC(C)C)C1=O | 2540.5 | Semi standard non polar | 33892256 | Prehumulone,1TMS,isomer #4 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=O)CCC(C)C)=C(O)C(O)(CC=C(C)C)C1=O | 2559.2 | Semi standard non polar | 33892256 | Prehumulone,1TMS,isomer #5 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O)C(O)(CC=C(C)C)C1=O | 2668.5 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #1 | CC(C)=CCC1C(=O)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2639.9 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C1=O | 2590.5 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #3 | CC(C)=CCC1=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C(O[Si](C)(C)C)=C(C(=O)CCC(C)C)C1=O | 2590.8 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #4 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C1=O | 2668.8 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #5 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=O)CCC(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2611.7 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #6 | CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C(O)=C(C(=O)CCC(C)C)C1=O | 2613.0 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #7 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2684.0 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #8 | CC(C)=CCC1=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C(O)=C(C(=CCC(C)C)O[Si](C)(C)C)C1=O | 2637.2 | Semi standard non polar | 33892256 | Prehumulone,2TMS,isomer #9 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O)C(O)(CC=C(C)C)C1=O | 2662.7 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2632.3 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2661.2 | Standard non polar | 33892256 | Prehumulone,3TMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)CCC(C)C)C1=O | 2645.7 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)CCC(C)C)C1=O | 2669.0 | Standard non polar | 33892256 | Prehumulone,3TMS,isomer #3 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2699.2 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #3 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2736.6 | Standard non polar | 33892256 | Prehumulone,3TMS,isomer #4 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C1=O | 2655.3 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #4 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C1=O | 2653.9 | Standard non polar | 33892256 | Prehumulone,3TMS,isomer #5 | CC(C)=CCC1=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C(O[Si](C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C)C1=O | 2667.3 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #5 | CC(C)=CCC1=C(O[Si](C)(C)C)C(O)(CC=C(C)C)C(O[Si](C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C)C1=O | 2666.4 | Standard non polar | 33892256 | Prehumulone,3TMS,isomer #6 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2689.5 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #6 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2707.9 | Standard non polar | 33892256 | Prehumulone,3TMS,isomer #7 | CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C(O)=C(C(=CCC(C)C)O[Si](C)(C)C)C1=O | 2665.8 | Semi standard non polar | 33892256 | Prehumulone,3TMS,isomer #7 | CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C(O)=C(C(=CCC(C)C)O[Si](C)(C)C)C1=O | 2715.1 | Standard non polar | 33892256 | Prehumulone,4TMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2679.0 | Semi standard non polar | 33892256 | Prehumulone,4TMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C1=O | 2749.6 | Standard non polar | 33892256 | Prehumulone,4TMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C)C1=O | 2683.5 | Semi standard non polar | 33892256 | Prehumulone,4TMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C)C1=O | 2764.6 | Standard non polar | 33892256 | Prehumulone,1TBDMS,isomer #1 | CC(C)=CCC1C(=O)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C1=O | 2824.9 | Semi standard non polar | 33892256 | Prehumulone,1TBDMS,isomer #2 | CC(C)=CCC1C(=O)C(C(=O)CCC(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 2834.0 | Semi standard non polar | 33892256 | Prehumulone,1TBDMS,isomer #3 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C(O)=C(C(=O)CCC(C)C)C1=O | 2789.3 | Semi standard non polar | 33892256 | Prehumulone,1TBDMS,isomer #4 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC(C)C)=C(O)C(O)(CC=C(C)C)C1=O | 2797.8 | Semi standard non polar | 33892256 | Prehumulone,1TBDMS,isomer #5 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O)C(O)(CC=C(C)C)C1=O | 2885.3 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #1 | CC(C)=CCC1C(=O)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3097.5 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C1=O | 3046.2 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #3 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)CCC(C)C)C1=O | 3050.0 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #4 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C1=O | 3120.7 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #5 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3065.1 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #6 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C(O)=C(C(=O)CCC(C)C)C1=O | 3066.3 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #7 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3121.8 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #8 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C(O)=C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)C1=O | 3090.8 | Semi standard non polar | 33892256 | Prehumulone,2TBDMS,isomer #9 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O)C(O)(CC=C(C)C)C1=O | 3103.2 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3283.7 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=O)CCC(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3166.3 | Standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)CCC(C)C)C1=O | 3302.4 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)CCC(C)C)C1=O | 3174.7 | Standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #3 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3350.1 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #3 | CC(C)=CCC1C(=O)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3268.3 | Standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #4 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C1=O | 3316.0 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #4 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C1=O | 3177.2 | Standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #5 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)C1=O | 3337.5 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #5 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(O)(CC=C(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)C1=O | 3197.1 | Standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #6 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3318.3 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #6 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3238.1 | Standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #7 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C(O)=C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)C1=O | 3308.5 | Semi standard non polar | 33892256 | Prehumulone,3TBDMS,isomer #7 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C(O)=C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)C1=O | 3252.9 | Standard non polar | 33892256 | Prehumulone,4TBDMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3500.5 | Semi standard non polar | 33892256 | Prehumulone,4TBDMS,isomer #1 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C1=O | 3401.1 | Standard non polar | 33892256 | Prehumulone,4TBDMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)C1=O | 3516.6 | Semi standard non polar | 33892256 | Prehumulone,4TBDMS,isomer #2 | CC(C)=CCC1=C(O[Si](C)(C)C(C)(C)C)C(CC=C(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=CCC(C)C)O[Si](C)(C)C(C)(C)C)C1=O | 3414.0 | 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 - Prehumulone GC-MS (Non-derivatized) - 70eV, Positive | splash10-08fv-6379000000-102b678e4ce279006928 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Prehumulone GC-MS (2 TMS) - 70eV, Positive | splash10-0a4i-8000980000-7a7dc999906484dbebea | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Prehumulone GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Prehumulone 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 - Prehumulone 10V, Negative-QTOF | splash10-004i-0029000000-50a061fec8cd139bde6d | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 20V, Negative-QTOF | splash10-004i-3396000000-ab133cc179783aefcd40 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 40V, Negative-QTOF | splash10-03ka-7984000000-3af39720253a6c74a1f5 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 10V, Negative-QTOF | splash10-004i-0009000000-3a1451db94076fb251f2 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 20V, Negative-QTOF | splash10-004i-0019000000-79e508679861eb8ce36b | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 40V, Negative-QTOF | splash10-056s-9111000000-6ebf5854c2dec7447e8d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 10V, Positive-QTOF | splash10-056r-1009000000-0ab5edfb6f3fc259d9e3 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 20V, Positive-QTOF | splash10-0aor-6039000000-dd7fd4312c21a9180a2b | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 40V, Positive-QTOF | splash10-00lr-9021000000-bf8d818649dad9656fa8 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 10V, Positive-QTOF | splash10-004i-0009000000-3746df082eb2a0f5b9ed | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 20V, Positive-QTOF | splash10-004i-2219000000-6c135138842b350e62e7 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Prehumulone 40V, Positive-QTOF | splash10-06rx-9200000000-3050c5f98963450390e7 | 2021-09-22 | Wishart Lab | View Spectrum |
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