Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2013-07-09 16:07:56 UTC |
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Update Date | 2021-09-14 15:19:57 UTC |
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HMDB ID | HMDB0060930 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Hydromorphone 3-beta-O-glucuronide |
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Description | Hydromorphone 3-beta-O-glucuronide is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia) |
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Structure | [H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-11,15-17,19-20,22,26-28H,3-4,6-8H2,1H3,(H,29,30)/t10-,11+,15+,16+,17-,19+,20-,22+,23-/m1/s1 |
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Synonyms | Value | Source |
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Citrate, sildenafil | HMDB | Desmethyl sildenafil | HMDB | Sildenafil lactate | HMDB | 1-((3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-D)pyrimidin-5-yl)-4-ethoxyphenyl)sulfonyl)-4-methylpiperazine citrate | HMDB | Lactate, sildenafil | HMDB | NCX-911 | HMDB | Nitrate, sildenafil | HMDB | Revatio | HMDB | Viagra | HMDB | Acetildenafil | HMDB | Sildenafil citrate | HMDB | Sildenafil, desmethyl | HMDB | Hydroxyhomosildenafil | HMDB | NCX 911 | HMDB | Homosildenafil | HMDB | Sildenafil | HMDB | Sildenafil nitrate | HMDB | Hydromorphone 3-b-O-glucuronide | Generator | Hydromorphone 3-β-O-glucuronide | Generator |
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Chemical Formula | C23H27NO9 |
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Average Molecular Weight | 461.4618 |
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Monoisotopic Molecular Weight | 461.168581467 |
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IUPAC Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1R,5S,13S,17S)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-10-yl]oxy}oxane-2-carboxylic acid |
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Traditional Name | (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1R,5S,13S,17S)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10-trien-10-yl]oxy}oxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]12CC3=C4C(O[C@@H]5C(=O)CC[C@H]1[C@]45CCN2C)=C(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C=C3 |
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InChI Identifier | InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-11,15-17,19-20,22,26-28H,3-4,6-8H2,1H3,(H,29,30)/t10-,11+,15+,16+,17-,19+,20-,22+,23-/m1/s1 |
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InChI Key | VLSHIBYUEOPPRX-BITROGNRSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
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Kingdom | Organic compounds |
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Super Class | Benzenoids |
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Class | Benzene and substituted derivatives |
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Sub Class | Benzenesulfonamides |
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Direct Parent | Benzenesulfonamides |
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Alternative Parents | |
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Substituents | - Benzenesulfonamide
- Pyrazolopyrimidine
- Benzenesulfonyl group
- Phenoxy compound
- Phenol ether
- Alkyl aryl ether
- Pyrimidone
- Pyrimidine
- 1,4-diazinane
- Organosulfonic acid amide
- Piperazine
- Sulfonyl
- Azole
- Organosulfonic acid or derivatives
- Vinylogous amide
- Pyrazole
- Organic sulfonic acid or derivatives
- Heteroaromatic compound
- Secondary aliphatic amine
- Ether
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Organooxygen compound
- Organonitrogen compound
- Amine
- Organic oxide
- Organic nitrogen compound
- Organosulfur compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organopnictogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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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Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #1 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3731.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3759.6 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #3 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3735.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #4 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3696.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #5 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=C13)O4 | 3732.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TMS,isomer #6 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3701.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #1 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3695.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #10 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3691.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #11 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3688.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #12 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3669.3 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #13 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(=C13)O4 | 3656.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #14 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3626.2 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3717.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #3 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3723.3 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #4 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(=C13)O4 | 3683.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #5 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3666.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #6 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3700.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #7 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3719.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #8 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(=C13)O4 | 3695.3 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TMS,isomer #9 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3669.3 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #1 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3702.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #10 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3694.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #11 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C(=C13)O4 | 3670.2 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #12 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3651.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #13 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3684.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #14 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3670.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #15 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3668.2 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #16 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3654.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3708.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #3 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C(=C13)O4 | 3673.2 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #4 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3662.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #5 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3724.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #6 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(=C13)O4 | 3687.6 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #7 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3674.9 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #8 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3691.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TMS,isomer #9 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3681.0 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #1 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3715.0 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #2 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C(=C13)O4 | 3680.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #3 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3673.9 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #4 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3685.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #5 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3682.0 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #6 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3690.3 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #7 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3680.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #8 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3675.6 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,4TMS,isomer #9 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3666.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #1 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3701.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #1 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 3818.4 | Standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #1 | CN1CC[C@@]23C4=C(O[Si](C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(=C13)O4 | 4242.6 | Standard polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3697.0 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3762.9 | Standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,5TMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]6O[Si](C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4209.8 | Standard polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #1 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3961.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3987.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #3 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3972.6 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #4 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 3949.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #5 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C(=C13)O4 | 3978.9 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,1TBDMS,isomer #6 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 3947.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #1 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4141.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #10 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4144.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #11 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(=C13)O4 | 4158.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #12 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4137.7 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #13 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(=C13)O4 | 4118.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #14 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4083.2 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4149.3 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #3 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4152.9 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #4 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(=C13)O4 | 4147.3 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #5 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4127.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #6 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4150.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #7 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4152.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #8 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(=C13)O4 | 4163.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,2TBDMS,isomer #9 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4140.0 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #1 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4317.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #10 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4318.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #11 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(=C13)O4 | 4296.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #12 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4294.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #13 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C(=C13)O4 | 4317.4 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #14 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4313.5 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #15 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(=C13)O4 | 4311.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #16 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4306.9 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #2 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4323.0 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #3 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C(=C13)O4 | 4305.6 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #4 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4302.2 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #5 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(=O)CC[C@@H]3[C@@H]1C5 | 4333.1 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #6 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C(=C13)O4 | 4313.8 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #7 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]6O)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4310.0 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #8 | CN1CC[C@@]23C4=C(O[Si](C)(C)C(C)(C)C)CC[C@@H]2[C@@H]1CC1=CC=C(O[C@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C(=C13)O4 | 4321.2 | Semi standard non polar | 33892256 | Hydromorphone 3-beta-O-glucuronide,3TBDMS,isomer #9 | CN1CC[C@@]23C4=C5C=CC(O[C@H]6O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]6O[Si](C)(C)C(C)(C)C)=C4O[C@@H]2C(O[Si](C)(C)C(C)(C)C)=CC[C@@H]3[C@@H]1C5 | 4317.0 | 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 - Hydromorphone 3-beta-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positive | splash10-052f-9116300000-a2830734c3ac61958ab9 | 2017-09-20 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (3 TMS) - 70eV, Positive | splash10-03dr-7163049000-0df6755e790d8a6f5a4a | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_2_7) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_10) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_13) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS (TBDMS_3_14) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Hydromorphone 3-beta-O-glucuronide GC-MS ("Hydromorphone 3-beta-O-glucuronide,2TBDMS,#7" 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 - Hydromorphone 3-beta-O-glucuronide 10V, Positive-QTOF | splash10-01pc-0090700000-45ae5b424c460a637baf | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Positive-QTOF | splash10-000i-0090000000-ce28e04651b6d1d0febf | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Positive-QTOF | splash10-0avr-3190000000-e20c26a7f1eebbe8c151 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 10V, Negative-QTOF | splash10-03e9-1240900000-604cbfd58ff153748807 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Negative-QTOF | splash10-001i-1190200000-d6df654d71e8f4969dba | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Negative-QTOF | splash10-001i-3190000000-02faffd0d5b94a1f9d8f | 2017-10-06 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 10V, Positive-QTOF | splash10-03di-0020900000-fded2e5cf097ef09d70c | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Positive-QTOF | splash10-03dl-0102900000-75f6615b9dac5764178f | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Positive-QTOF | splash10-03xr-1225900000-b60e838aef1464d7444b | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 10V, Negative-QTOF | splash10-03di-0000900000-122b566ef58d51daafca | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 20V, Negative-QTOF | splash10-01q9-5081900000-1c8180a72d535c3210b5 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Hydromorphone 3-beta-O-glucuronide 40V, Negative-QTOF | splash10-0a4i-9044300000-1874886a5f8298941645 | 2021-10-12 | 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) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum |
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