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 15:16:51 UTC |
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Update Date | 2022-03-07 02:51:51 UTC |
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HMDB ID | HMDB0015083 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Mezlocillin |
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Description | Mezlocillin is only found in individuals that have used or taken this drug. It is a semisynthetic ampicillin-derived acylureido penicillin. It has been proposed for infections with certain anaerobes and may be useful in inner ear, bile, and CNS infections. [PubChem]By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, mezlocillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that mezlocillin interferes with an autolysin inhibitor. |
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Structure | [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1 |
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Synonyms | Value | Source |
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(2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | ChEBI | 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid | ChEBI | Mezlin | ChEBI | Mezlocilina | ChEBI | Mezlocilline | ChEBI | Mezlocillinum | ChEBI | (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | Generator | (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulphonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | Generator | (2S,5R,6R)-3,3-Dimethyl-6-{[(2R)-2-({[3-(methylsulphonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | Generator | 6b-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate | Generator | 6b-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid | Generator | 6b-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate | Generator | 6b-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid | Generator | 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate | Generator | 6beta-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate | Generator | 6beta-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid | Generator | 6Β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate | Generator | 6Β-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid | Generator | 6Β-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanate | Generator | 6Β-{(2R)-2-[3-(methanesulphonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid | Generator | Bayf 1353 | HMDB | Curasan brand OF mezlocillin sodium (sterile) | HMDB | Baypen | HMDB | Melocin | HMDB | Sodium, mezlocillin | HMDB | Mezlocillin sodium | HMDB | Bay F 1353 | HMDB | Bay-F 1353 | HMDB | Bayer brand OF mezlocillin sodium (sterile) | HMDB | Meslocillin | HMDB |
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Chemical Formula | C21H25N5O8S2 |
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Average Molecular Weight | 539.582 |
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Monoisotopic Molecular Weight | 539.114454181 |
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IUPAC Name | (2S,5R,6R)-6-[(2R)-2-[(3-methanesulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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Traditional Name | mezlocillin |
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CAS Registry Number | 51481-65-3 |
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SMILES | [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(C1=O)S(C)(=O)=O)C1=CC=CC=C1)C(O)=O |
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InChI Identifier | InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1 |
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InChI Key | YPBATNHYBCGSSN-VWPFQQQWSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Amino acids, peptides, and analogues |
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Direct Parent | Peptides |
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Alternative Parents | |
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Substituents | - Alpha peptide
- Penicillin
- N-acyl-alpha amino acid or derivatives
- N-carbamoyl-alpha-amino acid or derivatives
- Alpha-amino acid amide
- N-substituted-alpha-amino acid
- Alpha-amino acid or derivatives
- Phenylacetamide
- Penam
- Sulfonylurea
- Monocyclic benzene moiety
- Imidazolidinone
- Benzenoid
- Beta-lactam
- Imidazolidine
- Organic sulfonic acid or derivatives
- Organosulfonic acid or derivatives
- Sulfonyl
- Tertiary carboxylic acid amide
- Thiazolidine
- Urea
- Azetidine
- Secondary carboxylic acid amide
- Carbonic acid derivative
- Lactam
- Carboxamide group
- Hemithioaminal
- Dialkylthioether
- Thioether
- Organoheterocyclic compound
- Azacycle
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Organic nitrogen compound
- Organic oxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organonitrogen compound
- Organopnictogen compound
- Organooxygen compound
- Organosulfur compound
- Organic oxide
- 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 | 0.47 g/L | Not Available | LogP | 0 | 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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Mezlocillin,1TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3815.8 | Semi standard non polar | 33892256 | Mezlocillin,1TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3867.0 | Semi standard non polar | 33892256 | Mezlocillin,1TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3787.5 | Semi standard non polar | 33892256 | Mezlocillin,2TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3798.6 | Semi standard non polar | 33892256 | Mezlocillin,2TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 4368.1 | Standard non polar | 33892256 | Mezlocillin,2TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 5758.1 | Standard polar | 33892256 | Mezlocillin,2TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3727.1 | Semi standard non polar | 33892256 | Mezlocillin,2TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 4323.5 | Standard non polar | 33892256 | Mezlocillin,2TMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 5877.2 | Standard polar | 33892256 | Mezlocillin,2TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 3759.2 | Semi standard non polar | 33892256 | Mezlocillin,2TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 4371.5 | Standard non polar | 33892256 | Mezlocillin,2TMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O | 5844.4 | Standard polar | 33892256 | Mezlocillin,3TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 3727.9 | Semi standard non polar | 33892256 | Mezlocillin,3TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 4491.7 | Standard non polar | 33892256 | Mezlocillin,3TMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C)[Si](C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C | 5364.6 | Standard polar | 33892256 | Mezlocillin,1TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4052.0 | Semi standard non polar | 33892256 | Mezlocillin,1TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4073.2 | Semi standard non polar | 33892256 | Mezlocillin,1TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4003.3 | Semi standard non polar | 33892256 | Mezlocillin,2TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4195.8 | Semi standard non polar | 33892256 | Mezlocillin,2TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4964.7 | Standard non polar | 33892256 | Mezlocillin,2TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)C3=CC=CC=C3)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 5732.9 | Standard polar | 33892256 | Mezlocillin,2TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4119.5 | Semi standard non polar | 33892256 | Mezlocillin,2TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4911.4 | Standard non polar | 33892256 | Mezlocillin,2TBDMS,isomer #2 | CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 5827.1 | Standard polar | 33892256 | Mezlocillin,2TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4146.8 | Semi standard non polar | 33892256 | Mezlocillin,2TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 4952.8 | Standard non polar | 33892256 | Mezlocillin,2TBDMS,isomer #3 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O | 5797.9 | Standard polar | 33892256 | Mezlocillin,3TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 4262.1 | Semi standard non polar | 33892256 | Mezlocillin,3TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 5323.2 | Standard non polar | 33892256 | Mezlocillin,3TBDMS,isomer #1 | CC1(C)S[C@@H]2[C@H](N(C(=O)[C@@H](C3=CC=CC=C3)N(C(=O)N3CCN(S(C)(=O)=O)C3=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N2[C@H]1C(=O)O[Si](C)(C)C(C)(C)C | 5403.1 | 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 - Mezlocillin GC-MS (Non-derivatized) - 70eV, Positive | splash10-0002-1090000000-30ba63db4797e4d4836d | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Mezlocillin GC-MS (1 TMS) - 70eV, Positive | splash10-0002-1090000000-8356c0b1a87fcce856cf | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Mezlocillin GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Mezlocillin GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Mezlocillin GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Mezlocillin GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Mezlocillin GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-13 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Mezlocillin GC-MS ("Mezlocillin,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | 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 - Mezlocillin 10V, Positive-QTOF | splash10-014i-0910010000-9de4bf02d7dd1cc9d377 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 20V, Positive-QTOF | splash10-00kr-7910000000-e06a9bd362ce4723bce2 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 40V, Positive-QTOF | splash10-014r-6900000000-f20f6eeb80ce786a597d | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 10V, Negative-QTOF | splash10-0002-0109200000-4b61d69c53d74fe2e0a6 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 20V, Negative-QTOF | splash10-00kb-3908300000-41e54898cd272dbc82ec | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 40V, Negative-QTOF | splash10-004i-9311000000-fd81fa067ad63b9dc4d0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 10V, Positive-QTOF | splash10-0006-0432090000-edbf59d4f68de248dc62 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 20V, Positive-QTOF | splash10-00lr-3925010000-5a77477e443c073ce3f2 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 40V, Positive-QTOF | splash10-01q9-0913100000-38849f0b13c1ff924b58 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 10V, Negative-QTOF | splash10-03di-1902030000-431dbf04e41622d870c4 | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 20V, Negative-QTOF | splash10-001i-9500000000-6bd2926f658df74e070e | 2021-10-11 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Mezlocillin 40V, Negative-QTOF | splash10-00fu-7910000000-2183d83c42f1b7c12ac4 | 2021-10-11 | 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) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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