Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 00:35:13 UTC |
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Update Date | 2021-09-26 22:57:21 UTC |
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HMDB ID | HMDB0247583 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 9-Arabinofuranosyladenine |
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Description | 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Based on a literature review very few articles have been published on 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol. This compound has been identified in human blood as reported by (PMID: 31557052 ). 9-arabinofuranosyladenine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 9-Arabinofuranosyladenine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1 InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) |
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Synonyms | Not Available |
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Chemical Formula | C10H13N5O4 |
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Average Molecular Weight | 267.2413 |
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Monoisotopic Molecular Weight | 267.096753929 |
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IUPAC Name | 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
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Traditional Name | adenosine |
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CAS Registry Number | Not Available |
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SMILES | NC1=C2N=CN(C3OC(CO)C(O)C3O)C2=NC=N1 |
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InChI Identifier | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13) |
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InChI Key | OIRDTQYFTABQOQ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. |
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Kingdom | Organic compounds |
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Super Class | Nucleosides, nucleotides, and analogues |
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Class | Purine nucleosides |
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Sub Class | Not Available |
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Direct Parent | Purine nucleosides |
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Alternative Parents | |
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Substituents | - Purine nucleoside
- Glycosyl compound
- N-glycosyl compound
- 6-aminopurine
- Pentose monosaccharide
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Monosaccharide
- N-substituted imidazole
- Pyrimidine
- Imidolactam
- Tetrahydrofuran
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Organic oxygen compound
- Organic nitrogen compound
- Alcohol
- Organonitrogen compound
- Hydrocarbon derivative
- Organopnictogen compound
- Organooxygen compound
- Amine
- Primary alcohol
- 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 | 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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9-Arabinofuranosyladenine,1TMS,isomer #3 | C[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C21 | 2710.6 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,1TMS,isomer #3 | C[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C21 | 2518.9 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,1TMS,isomer #3 | C[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C21 | 4816.4 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,2TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O[Si](C)(C)C | 2685.5 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O[Si](C)(C)C | 2589.1 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O[Si](C)(C)C | 4271.3 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #3 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 2664.3 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #3 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 2686.1 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #3 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4052.9 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #5 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2648.7 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #5 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2643.0 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #5 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3976.1 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #6 | C[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O | 2690.0 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #6 | C[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O | 2795.8 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #6 | C[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O | 3838.7 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #7 | C[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | 2679.7 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #7 | C[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | 2800.0 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,3TMS,isomer #7 | C[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21 | 3873.8 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #1 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2655.7 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #1 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2647.7 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #1 | C[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3617.5 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O[Si](C)(C)C)C1O | 2680.1 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O[Si](C)(C)C)C1O | 2808.3 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O[Si](C)(C)C)C1O | 3514.5 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O[Si](C)(C)C | 2683.2 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O[Si](C)(C)C | 2801.0 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O)C1O[Si](C)(C)C | 3487.7 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #4 | C[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C | 2683.0 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #4 | C[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C | 2778.7 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TMS,isomer #4 | C[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C1O[Si](C)(C)C | 3418.1 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,5TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2690.1 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,5TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2752.5 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,5TMS,isomer #1 | C[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3150.5 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N)N=CN=C32)C1O | 2970.7 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N)N=CN=C32)C1O | 2758.9 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N)N=CN=C32)C1O | 4756.3 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C21 | 2958.7 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C21 | 2766.0 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC1N1C=NC2=C(N)N=CN=C21 | 4774.4 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O[Si](C)(C)C(C)(C)C | 3136.5 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O[Si](C)(C)C(C)(C)C | 3067.5 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N)N=CN=C32)C(O)C1O[Si](C)(C)C(C)(C)C | 4274.5 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C | 3120.5 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C | 3026.6 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N)N=CN=C32)C1O[Si](C)(C)C(C)(C)C | 4220.9 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 3095.3 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 3128.9 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4392.2 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3409.7 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3471.8 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2C1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3832.5 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O | 3395.3 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O | 3628.8 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O | 3699.6 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O[Si](C)(C)C(C)(C)C | 3403.1 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O[Si](C)(C)C(C)(C)C | 3618.9 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O)C1O[Si](C)(C)C(C)(C)C | 3680.8 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O[Si](C)(C)C(C)(C)C | 3394.4 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O[Si](C)(C)C(C)(C)C | 3569.8 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C1O[Si](C)(C)C(C)(C)C | 3632.9 | Standard polar | 33892256 | 9-Arabinofuranosyladenine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3537.8 | Semi standard non polar | 33892256 | 9-Arabinofuranosyladenine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3720.6 | Standard non polar | 33892256 | 9-Arabinofuranosyladenine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3524.5 | 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 - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4l-9350000000-d7935935c6ea0473db77 | 2018-04-09 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_2_5) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_2_7) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_3_1) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_3_2) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol GC-MS (TBDMS_3_3) - 70eV, Positive | Not Available | 2021-11-03 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-000i-5900000000-e1b5f8f8f8d4a2e832b3 | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 6V, Positive-QTOF | splash10-000i-0920000000-3f4d39652919282e0f2a | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 10V, Positive-QTOF | splash10-000i-0940000000-b1dae16ed55b306d4244 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 20V, Positive-QTOF | splash10-000i-0900000000-a74353315b4a66bbef6b | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 40V, Positive-QTOF | splash10-000i-1900000000-848320a8587051320aad | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 10V, Negative-QTOF | splash10-0159-0690000000-09da9c1c0f62b0e89d43 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 20V, Negative-QTOF | splash10-001i-0900000000-b35acb6cb68c1086cd8f | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 40V, Negative-QTOF | splash10-053r-2900000000-bd036a496584b20a5a18 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 10V, Positive-QTOF | splash10-000i-0920000000-7da3fd2802cd6cdf6c8d | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 20V, Positive-QTOF | splash10-000i-0900000000-c1ee2199364d0258bae1 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 40V, Positive-QTOF | splash10-000i-1900000000-f3490e8ccb46290343ec | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 10V, Negative-QTOF | splash10-001i-0920000000-dd81be3fe27885082eca | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 20V, Negative-QTOF | splash10-001i-0900000000-fb75e80e5587bfdc5dc8 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 9-Arabinofuranosyladenine 40V, Negative-QTOF | splash10-0a59-2900000000-d8479f55e1fca34f9c15 | 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) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum |
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