Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-06 15:16:49 UTC |
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Update Date | 2022-03-07 02:51:40 UTC |
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HMDB ID | HMDB0014590 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Loracarbef |
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Description | Loracarbef is only found in individuals that have used or taken this drug. It is a carbacephem antibiotic sometimes grouped together with the second-generation cephalosporin antibiotics. It is marketed under the trade name Lorabid.Loracarbef is an oral, synthetic beta-lactam antibiotic of the carbacephem class. Chemically, carbacephems differ from cephalosporin-class antibiotics in the dihydrothiazine ring where a methylene group has been substituted for a sulfur atom. Loracarbef has a spectrum of activity similar to that of the second generation cephalosporins. It is structurally identical to cefaclor except for a sulfur atom that has been replaced by a methylene group. This change gives greater chemical stability in solution and allows storage at room temperature. Loracarbef, like all b-lactams and cephalosporins, inhibits penicillin binding proteins, enzymes that create the cross-linkage of the peptidoglycan polymer. This binding leads to interference with the formation and remodeling of the cell wall structure. |
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Structure | N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1 InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1 |
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Synonyms | Value | Source |
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LORACABEF | ChEBI | Loracarbefum | ChEBI | Carbac | HMDB | Lilly brand OF loracarbef monohydrate | HMDB | Lorafem | HMDB | Lorax | HMDB | Monarch brand OF loracarbef monohydrate | HMDB | Zambon brand OF loracarbef monohydrate | HMDB | Lorabid | HMDB | Lilly brand OF loracarbef | HMDB | Syntex brand OF loracarbef monohydrate | HMDB | Loracarbef monohydrate | HMDB |
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Chemical Formula | C16H16ClN3O4 |
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Average Molecular Weight | 349.769 |
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Monoisotopic Molecular Weight | 349.082933722 |
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IUPAC Name | (6R,7S)-7-[(2R)-2-amino-2-phenylacetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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Traditional Name | loracabef |
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CAS Registry Number | 76470-66-1 |
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SMILES | N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C16H16ClN3O4/c17-9-6-7-10-12(15(22)20(10)13(9)16(23)24)19-14(21)11(18)8-4-2-1-3-5-8/h1-5,10-12H,6-7,18H2,(H,19,21)(H,23,24)/t10-,11-,12+/m1/s1 |
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InChI Key | JAPHQRWPEGVNBT-UTUOFQBUSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as carbacephems. These are a new class of beta-lactam antibiotics similar in structure to the cephalosporins. They differ from cephalosporins, however, in the substitution of a sulfur atom in the dihydrothiazine ring with a methylene group to form a tetrahydropyridine ring. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Lactams |
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Sub Class | Beta lactams |
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Direct Parent | Carbacephems |
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Alternative Parents | |
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Substituents | - Carbacephem
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid amide
- Alpha-amino acid or derivatives
- Phenylacetamide
- Tetrahydropyridine
- Aralkylamine
- Monocyclic benzene moiety
- Benzenoid
- Tertiary carboxylic acid amide
- Vinylogous halide
- Amino acid or derivatives
- Azetidine
- Carboxamide group
- Amino acid
- Secondary carboxylic acid amide
- Haloalkene
- Chloroalkene
- Vinyl halide
- Vinyl chloride
- Azacycle
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic nitrogen compound
- Primary aliphatic amine
- Organohalogen compound
- Organochloride
- Amine
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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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 | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 0.32 g/L | Not Available | LogP | 0.5 | 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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Loracarbef,1TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N12 | 2846.0 | Semi standard non polar | 33892256 | Loracarbef,1TMS,isomer #2 | C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 2893.6 | Semi standard non polar | 33892256 | Loracarbef,1TMS,isomer #3 | C[Si](C)(C)N(C(=O)[C@H](N)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 2758.0 | Semi standard non polar | 33892256 | Loracarbef,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 2846.3 | Semi standard non polar | 33892256 | Loracarbef,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 2758.2 | Standard non polar | 33892256 | Loracarbef,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 4043.4 | Standard polar | 33892256 | Loracarbef,2TMS,isomer #2 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 2716.7 | Semi standard non polar | 33892256 | Loracarbef,2TMS,isomer #2 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 2714.8 | Standard non polar | 33892256 | Loracarbef,2TMS,isomer #2 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N12 | 4270.2 | Standard polar | 33892256 | Loracarbef,2TMS,isomer #3 | C[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1)[Si](C)(C)C | 2842.8 | Semi standard non polar | 33892256 | Loracarbef,2TMS,isomer #3 | C[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1)[Si](C)(C)C | 2831.1 | Standard non polar | 33892256 | Loracarbef,2TMS,isomer #3 | C[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1)[Si](C)(C)C | 4128.3 | Standard polar | 33892256 | Loracarbef,2TMS,isomer #4 | C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 2758.0 | Semi standard non polar | 33892256 | Loracarbef,2TMS,isomer #4 | C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 2763.2 | Standard non polar | 33892256 | Loracarbef,2TMS,isomer #4 | C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 3970.7 | Standard polar | 33892256 | Loracarbef,3TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N12 | 2835.9 | Semi standard non polar | 33892256 | Loracarbef,3TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N12 | 2910.3 | Standard non polar | 33892256 | Loracarbef,3TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N12 | 3814.5 | Standard polar | 33892256 | Loracarbef,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CC[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 2758.3 | Semi standard non polar | 33892256 | Loracarbef,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CC[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 2851.4 | Standard non polar | 33892256 | Loracarbef,3TMS,isomer #2 | C[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(Cl)CC[C@H]12)[Si](C)(C)C)C1=CC=CC=C1 | 3704.5 | Standard polar | 33892256 | Loracarbef,3TMS,isomer #3 | C[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 2811.9 | Semi standard non polar | 33892256 | Loracarbef,3TMS,isomer #3 | C[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 2912.1 | Standard non polar | 33892256 | Loracarbef,3TMS,isomer #3 | C[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 3775.9 | Standard polar | 33892256 | Loracarbef,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N12 | 2835.4 | Semi standard non polar | 33892256 | Loracarbef,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N12 | 2993.6 | Standard non polar | 33892256 | Loracarbef,4TMS,isomer #1 | C[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N12 | 3540.0 | Standard polar | 33892256 | Loracarbef,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N12 | 3060.3 | Semi standard non polar | 33892256 | Loracarbef,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 3059.9 | Semi standard non polar | 33892256 | Loracarbef,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C(=O)[C@H](N)C1=CC=CC=C1)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 2988.4 | Semi standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 3251.6 | Semi standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 3160.7 | Standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CC[C@H]12)C1=CC=CC=C1 | 4133.4 | Standard polar | 33892256 | Loracarbef,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3170.3 | Semi standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3105.0 | Standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@H](N)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N12 | 4305.1 | Standard polar | 33892256 | Loracarbef,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1)[Si](C)(C)C(C)(C)C | 3294.9 | Semi standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1)[Si](C)(C)C(C)(C)C | 3218.6 | Standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N([C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)C1=CC=CC=C1)[Si](C)(C)C(C)(C)C | 4128.0 | Standard polar | 33892256 | Loracarbef,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 3163.7 | Semi standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 3175.1 | Standard non polar | 33892256 | Loracarbef,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 4052.6 | Standard polar | 33892256 | Loracarbef,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3510.3 | Semi standard non polar | 33892256 | Loracarbef,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3478.6 | Standard non polar | 33892256 | Loracarbef,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3974.0 | Standard polar | 33892256 | Loracarbef,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CC[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 3365.4 | Semi standard non polar | 33892256 | Loracarbef,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CC[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 3415.5 | Standard non polar | 33892256 | Loracarbef,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N[C@@H](C(=O)N([C@@H]1C(=O)N2C(C(=O)O[Si](C)(C)C(C)(C)C)=C(Cl)CC[C@H]12)[Si](C)(C)C(C)(C)C)C1=CC=CC=C1 | 3939.1 | Standard polar | 33892256 | Loracarbef,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 3458.6 | Semi standard non polar | 33892256 | Loracarbef,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 3497.6 | Standard non polar | 33892256 | Loracarbef,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](C1=CC=CC=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12 | 3929.3 | Standard polar | 33892256 | Loracarbef,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3662.0 | Semi standard non polar | 33892256 | Loracarbef,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3712.0 | Standard non polar | 33892256 | Loracarbef,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C1=C(Cl)CC[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N12 | 3798.5 | Standard 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 - Loracarbef GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-8901000000-9624c4237beed0fc58b1 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Loracarbef GC-MS (1 TMS) - 70eV, Positive | splash10-004i-6911000000-1942c1bc1b579dcb17ff | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Loracarbef GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Loracarbef 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 - Loracarbef 10V, Positive-QTOF | splash10-0pvi-0946000000-df5d2ead7c26276f85f9 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 20V, Positive-QTOF | splash10-0aor-1930000000-9d4196e112fdc37ad21b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 40V, Positive-QTOF | splash10-0a4i-4900000000-57e592b2ff0c830fc344 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 10V, Negative-QTOF | splash10-0002-0319000000-e45ecb0b8853bd1bf498 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 20V, Negative-QTOF | splash10-052r-1901000000-ffe4f565f43063b475b1 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 40V, Negative-QTOF | splash10-0a6u-8900000000-e8d02c2084b2878efcda | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 10V, Negative-QTOF | splash10-0udi-0009000000-b7a3c9f8668fbd31bcde | 2021-09-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 20V, Negative-QTOF | splash10-0uea-8916000000-63309ef2348514c74998 | 2021-09-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 40V, Negative-QTOF | splash10-001i-9210000000-df0fe7334b3e12739576 | 2021-09-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 10V, Positive-QTOF | splash10-0f89-0109000000-ab09a95a465c7b11929f | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 20V, Positive-QTOF | splash10-001i-0619000000-7bcf73b1d7af848563db | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Loracarbef 40V, Positive-QTOF | splash10-0a4i-4921000000-9eb7cf6e6a3cb01d371d | 2021-09-25 | 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) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum |
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