Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2013-07-04 18:56:43 UTC |
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Update Date | 2021-09-14 15:39:04 UTC |
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HMDB ID | HMDB0060745 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 3-keto Fusidic acid |
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Description | 3-keto Fusidic acid is a metabolite of fusidic acid. Fusidic acid is a bacteriostatic antibiotic that is often used topically in creams and eyedrops, but may also be given systemically as tablets or injections. The global problem of advancing antimicrobial resistance has led to a renewed interest in its use recently. (Wikipedia) |
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Structure | C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\C(O)=O)C(=O)CC=C(C)C InChI=1S/C31H46O7/c1-16(2)8-9-22(34)26(28(36)37)25-20-14-23(35)27-29(5)12-11-21(33)17(3)19(29)10-13-30(27,6)31(20,7)15-24(25)38-18(4)32/h8,17,19-21,23-24,27,33,35H,9-15H2,1-7H3,(H,36,37)/b26-25-/t17-,19-,20-,21+,23+,24-,27-,29-,30-,31-/m0/s1 |
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Synonyms | Value | Source |
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3-Keto fusidate | Generator |
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Chemical Formula | C31H46O7 |
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Average Molecular Weight | 530.6927 |
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Monoisotopic Molecular Weight | 530.324353826 |
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IUPAC Name | 2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-ylidene]-6-methyl-3-oxohept-5-enoic acid |
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Traditional Name | 2-[(1S,2S,5R,6S,7S,10S,11S,13S,14Z,15R,17R)-13-(acetyloxy)-5,17-dihydroxy-2,6,10,11-tetramethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-ylidene]-6-methyl-3-oxohept-5-enoic acid |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\C(O)=O)C(=O)CC=C(C)C |
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InChI Identifier | InChI=1S/C31H46O7/c1-16(2)8-9-22(34)26(28(36)37)25-20-14-23(35)27-29(5)12-11-21(33)17(3)19(29)10-13-30(27,6)31(20,7)15-24(25)38-18(4)32/h8,17,19-21,23-24,27,33,35H,9-15H2,1-7H3,(H,36,37)/b26-25-/t17-,19-,20-,21+,23+,24-,27-,29-,30-,31-/m0/s1 |
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InChI Key | LOVQKVDREFGPKC-COCAZOITSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as oxosteroids. These are steroid derivatives carrying a C=O group attached to steroid skeleton. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Oxosteroids |
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Direct Parent | Oxosteroids |
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Alternative Parents | |
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Substituents | - 22-oxosteroid
- 21-oxosteroid
- Steroid ester
- 3-hydroxysteroid
- Hydroxysteroid
- 3-alpha-hydroxysteroid
- 11-hydroxysteroid
- 11-alpha-hydroxysteroid
- Oxosteroid
- Medium-chain keto acid
- Hydroxy fatty acid
- Beta-keto acid
- Methyl-branched fatty acid
- Branched fatty acid
- Dicarboxylic acid or derivatives
- Fatty acyl
- Keto acid
- Beta-hydroxy ketone
- Unsaturated fatty acid
- Cyclic alcohol
- Enone
- Acryloyl-group
- Secondary alcohol
- Carboxylic acid ester
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Carbonyl group
- Organooxygen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | 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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3-keto Fusidic acid,1TMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=O)CC=C(C)C | 3774.9 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,1TMS,isomer #2 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=O)CC=C(C)C | 3748.6 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,1TMS,isomer #3 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C | 3715.6 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,1TMS,isomer #4 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C | 3906.3 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=O)CC=C(C)C | 3693.9 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TMS,isomer #2 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C | 3661.5 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TMS,isomer #3 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C | 3836.2 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TMS,isomer #4 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C | 3623.5 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TMS,isomer #5 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C | 3810.0 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TMS,isomer #6 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C | 3806.5 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C | 3601.7 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TMS,isomer #2 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C | 3775.8 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TMS,isomer #3 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C | 3756.2 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TMS,isomer #4 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C | 3719.0 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,4TMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C | 3685.2 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,4TMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C | 3787.0 | Standard non polar | 33892256 | 3-keto Fusidic acid,4TMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C | 4210.1 | Standard polar | 33892256 | 3-keto Fusidic acid,1TBDMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=O)CC=C(C)C | 4015.6 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,1TBDMS,isomer #2 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=O)CC=C(C)C | 3989.1 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,1TBDMS,isomer #3 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 3971.1 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,1TBDMS,isomer #4 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C(C)(C)C | 4131.6 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TBDMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=O)CC=C(C)C | 4158.5 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TBDMS,isomer #2 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 4145.0 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TBDMS,isomer #3 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C(C)(C)C | 4282.8 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TBDMS,isomer #4 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 4101.2 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TBDMS,isomer #5 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C(C)(C)C | 4239.8 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,2TBDMS,isomer #6 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C(C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C(C)(C)C | 4244.5 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TBDMS,isomer #1 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\C(=O)CC=C(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 4279.4 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TBDMS,isomer #2 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O)C(=CC=C(C)C)O[Si](C)(C)C(C)(C)C | 4398.9 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TBDMS,isomer #3 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C(C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C(C)(C)C | 4394.8 | Semi standard non polar | 33892256 | 3-keto Fusidic acid,3TBDMS,isomer #4 | CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/C(=O)O[Si](C)(C)C(C)(C)C)C(=CC=C(C)C)O[Si](C)(C)C(C)(C)C | 4351.8 | 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 - 3-keto Fusidic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-01bc-2240960000-62979044ae559eda57f2 | 2017-09-20 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (2 TMS) - 70eV, Positive | splash10-0cdi-3010139000-26ea010b4f7e8b1a5036 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_2_4) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_2_5) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 3-keto Fusidic acid GC-MS (TBDMS_2_6) - 70eV, Positive | Not Available | 2021-10-13 | 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 - 3-keto Fusidic acid 10V, Positive-QTOF | splash10-03dj-0000950000-90460657538d5e831d09 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 20V, Positive-QTOF | splash10-0c01-1102910000-abd89a0cf42e90d52324 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 40V, Positive-QTOF | splash10-0670-3031900000-510a4b168f98745407c0 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 10V, Negative-QTOF | splash10-02vr-1000960000-4251dc2f0aa878c206ce | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 20V, Negative-QTOF | splash10-0pvi-2900710000-376b6408d842395ada4c | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 40V, Negative-QTOF | splash10-0006-6004900000-e543cdbb854469e0f18c | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 10V, Positive-QTOF | splash10-0w9r-0000940000-dd00320c6a16491494de | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 20V, Positive-QTOF | splash10-0g6r-1104920000-f4cd35c7fadf8bf80403 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 40V, Positive-QTOF | splash10-05mo-9601000000-c089833d9c434de32b30 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 10V, Negative-QTOF | splash10-014i-1000950000-1106bfb36a6fb3f96414 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 20V, Negative-QTOF | splash10-0aor-6000910000-65e5fec5c70d28786968 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 3-keto Fusidic acid 40V, Negative-QTOF | splash10-014i-5001900000-1560d3e36854071103c0 | 2021-10-12 | Wishart Lab | View Spectrum |
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