Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2009-01-30 15:03:41 UTC |
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Update Date | 2023-02-21 17:17:31 UTC |
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HMDB ID | HMDB0011634 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Norspermidine |
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Description | Norspermidine, also known as caldine or dipropylentriamin, belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. While norspermidine has been found to occur naturally in some species of plants, bacteria, and algae, it is not known to exist in humans. Norspermidine is a very strong basic compound (based on its pKa). Norspermidine exists in all living organisms, ranging from bacteria to humans. Outside of the human body, Norspermidine is found, on average, in the highest concentration within white wines and red wines. Norspermidine has also been detected, but not quantified in, several different foods, such as japanese pumpkins, black cabbages, natal plums, cabbages, and jackfruits. This could make norspermidine a potential biomarker for the consumption of these foods. Norspermidine is being researched for use as a cancer medication. Norspermidine is a polyamine of similar structure to the more common spermidine. |
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Structure | InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 |
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Synonyms | Value | Source |
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1,7-Diamino-4-azaheptane | ChEBI | 3,3'-Iminobis(propylamine) | ChEBI | 3,3'-Iminobispropylamine | ChEBI | 3,3'-Iminodi(propylamine) | ChEBI | 3,3-Diaminodipropylamine | ChEBI | 4-Azaheptane-1,7-diamine | ChEBI | Dipropylenetriamine | ChEBI | N-(3-Aminopropyl)-1,3-propanediamine | ChEBI | N-(3-Aminopropyl)propane-1,3-diamine | ChEBI | N-3-Aminopropyl-1,3-diaminopropane | ChEBI | Bis(3-aminopropyl)amine | Kegg | -1,3-Propanediamine | HMDB | 3, 3'-Diaminodipropylamine | HMDB | 3, {3'-iminobis[propylamine]} | HMDB | 3,3'-Diamino-dipropylamine | HMDB | 3,3'-Diaminodipropylamine | HMDB | 3,3'-Iminobis-1-propanamine | HMDB | 3,3'-Iminobis-propylamine | HMDB | 3,3'-Iminopropylamine | HMDB | 4-Azaheptamethylenediamine | HMDB | Aminobis(propylamine) | HMDB | Caldine | HMDB | Dipropylene triamine | HMDB | Dipropylentriamin | HMDB | Imino-bis(3-propylamine) | HMDB | Iminobis(propylamine) | HMDB | Initiating explosive iminobispropylamine | HMDB | Initiating explosive iminobispropylamine (dot) | HMDB | N-(3-Aminopropyl)-1, 3-propanediamine | HMDB | N-3-Aminopropyl | HMDB | Bis(3,3'-aminopropyl)amine | HMDB | 3,3'-Diaminopropylamine | HMDB | Norspermidine | ChEBI |
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Chemical Formula | C6H17N3 |
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Average Molecular Weight | 131.2193 |
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Monoisotopic Molecular Weight | 131.142247559 |
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IUPAC Name | bis(3-aminopropyl)amine |
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Traditional Name | norspermidine |
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CAS Registry Number | 56-18-8 |
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SMILES | NCCCNCCCN |
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InChI Identifier | InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 |
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InChI Key | OTBHHUPVCYLGQO-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. |
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Kingdom | Organic compounds |
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Super Class | Organic nitrogen compounds |
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Class | Organonitrogen compounds |
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Sub Class | Amines |
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Direct Parent | Dialkylamines |
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Alternative Parents | |
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Substituents | - Secondary aliphatic amine
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Primary aliphatic amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic 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 | Liquid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | -14 °C | 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 | Experimental Collision Cross Sections |
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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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Norspermidine,1TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN | 1518.8 | Semi standard non polar | 33892256 | Norspermidine,1TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN | 1545.4 | Standard non polar | 33892256 | Norspermidine,1TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN | 2443.1 | Standard polar | 33892256 | Norspermidine,1TMS,isomer #2 | C[Si](C)(C)N(CCCN)CCCN | 1446.3 | Semi standard non polar | 33892256 | Norspermidine,1TMS,isomer #2 | C[Si](C)(C)N(CCCN)CCCN | 1490.3 | Standard non polar | 33892256 | Norspermidine,1TMS,isomer #2 | C[Si](C)(C)N(CCCN)CCCN | 2777.8 | Standard polar | 33892256 | Norspermidine,2TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN[Si](C)(C)C | 1686.1 | Semi standard non polar | 33892256 | Norspermidine,2TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN[Si](C)(C)C | 1827.4 | Standard non polar | 33892256 | Norspermidine,2TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN[Si](C)(C)C | 1957.4 | Standard polar | 33892256 | Norspermidine,2TMS,isomer #2 | C[Si](C)(C)N(CCCNCCCN)[Si](C)(C)C | 1721.6 | Semi standard non polar | 33892256 | Norspermidine,2TMS,isomer #2 | C[Si](C)(C)N(CCCNCCCN)[Si](C)(C)C | 1770.1 | Standard non polar | 33892256 | Norspermidine,2TMS,isomer #2 | C[Si](C)(C)N(CCCNCCCN)[Si](C)(C)C | 2376.2 | Standard polar | 33892256 | Norspermidine,2TMS,isomer #3 | C[Si](C)(C)NCCCN(CCCN)[Si](C)(C)C | 1614.4 | Semi standard non polar | 33892256 | Norspermidine,2TMS,isomer #3 | C[Si](C)(C)NCCCN(CCCN)[Si](C)(C)C | 1714.4 | Standard non polar | 33892256 | Norspermidine,2TMS,isomer #3 | C[Si](C)(C)NCCCN(CCCN)[Si](C)(C)C | 2267.9 | Standard polar | 33892256 | Norspermidine,3TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN([Si](C)(C)C)[Si](C)(C)C | 1858.4 | Semi standard non polar | 33892256 | Norspermidine,3TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN([Si](C)(C)C)[Si](C)(C)C | 1981.6 | Standard non polar | 33892256 | Norspermidine,3TMS,isomer #1 | C[Si](C)(C)NCCCNCCCN([Si](C)(C)C)[Si](C)(C)C | 1870.4 | Standard polar | 33892256 | Norspermidine,3TMS,isomer #2 | C[Si](C)(C)NCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C | 1733.4 | Semi standard non polar | 33892256 | Norspermidine,3TMS,isomer #2 | C[Si](C)(C)NCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C | 1942.1 | Standard non polar | 33892256 | Norspermidine,3TMS,isomer #2 | C[Si](C)(C)NCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C | 1877.7 | Standard polar | 33892256 | Norspermidine,3TMS,isomer #3 | C[Si](C)(C)N(CCCN)CCCN([Si](C)(C)C)[Si](C)(C)C | 1847.7 | Semi standard non polar | 33892256 | Norspermidine,3TMS,isomer #3 | C[Si](C)(C)N(CCCN)CCCN([Si](C)(C)C)[Si](C)(C)C | 1932.4 | Standard non polar | 33892256 | Norspermidine,3TMS,isomer #3 | C[Si](C)(C)N(CCCN)CCCN([Si](C)(C)C)[Si](C)(C)C | 2176.4 | Standard polar | 33892256 | Norspermidine,4TMS,isomer #1 | C[Si](C)(C)N(CCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 2083.0 | Semi standard non polar | 33892256 | Norspermidine,4TMS,isomer #1 | C[Si](C)(C)N(CCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 2129.7 | Standard non polar | 33892256 | Norspermidine,4TMS,isomer #1 | C[Si](C)(C)N(CCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1832.1 | Standard polar | 33892256 | Norspermidine,4TMS,isomer #2 | C[Si](C)(C)NCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1953.1 | Semi standard non polar | 33892256 | Norspermidine,4TMS,isomer #2 | C[Si](C)(C)NCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 2104.5 | Standard non polar | 33892256 | Norspermidine,4TMS,isomer #2 | C[Si](C)(C)NCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | 1862.8 | Standard polar | 33892256 | Norspermidine,5TMS,isomer #1 | C[Si](C)(C)N(CCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C | 2204.7 | Semi standard non polar | 33892256 | Norspermidine,5TMS,isomer #1 | C[Si](C)(C)N(CCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C | 2254.4 | Standard non polar | 33892256 | Norspermidine,5TMS,isomer #1 | C[Si](C)(C)N(CCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C | 1834.4 | Standard polar | 33892256 | Norspermidine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN | 1730.4 | Semi standard non polar | 33892256 | Norspermidine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN | 1742.2 | Standard non polar | 33892256 | Norspermidine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN | 2505.5 | Standard polar | 33892256 | Norspermidine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCN)CCCN | 1685.5 | Semi standard non polar | 33892256 | Norspermidine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCN)CCCN | 1688.2 | Standard non polar | 33892256 | Norspermidine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCN)CCCN | 2850.3 | Standard polar | 33892256 | Norspermidine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN[Si](C)(C)C(C)(C)C | 2148.3 | Semi standard non polar | 33892256 | Norspermidine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN[Si](C)(C)C(C)(C)C | 2174.9 | Standard non polar | 33892256 | Norspermidine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN[Si](C)(C)C(C)(C)C | 2083.3 | Standard polar | 33892256 | Norspermidine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCNCCCN)[Si](C)(C)C(C)(C)C | 2143.3 | Semi standard non polar | 33892256 | Norspermidine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCNCCCN)[Si](C)(C)C(C)(C)C | 2149.4 | Standard non polar | 33892256 | Norspermidine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCCNCCCN)[Si](C)(C)C(C)(C)C | 2339.5 | Standard polar | 33892256 | Norspermidine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NCCCN(CCCN)[Si](C)(C)C(C)(C)C | 2099.9 | Semi standard non polar | 33892256 | Norspermidine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NCCCN(CCCN)[Si](C)(C)C(C)(C)C | 2121.9 | Standard non polar | 33892256 | Norspermidine,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)NCCCN(CCCN)[Si](C)(C)C(C)(C)C | 2301.8 | Standard polar | 33892256 | Norspermidine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2541.0 | Semi standard non polar | 33892256 | Norspermidine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2512.8 | Standard non polar | 33892256 | Norspermidine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2166.2 | Standard polar | 33892256 | Norspermidine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2470.4 | Semi standard non polar | 33892256 | Norspermidine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2476.4 | Standard non polar | 33892256 | Norspermidine,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2199.7 | Standard polar | 33892256 | Norspermidine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2501.0 | Semi standard non polar | 33892256 | Norspermidine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2470.0 | Standard non polar | 33892256 | Norspermidine,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)N(CCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2329.6 | Standard polar | 33892256 | Norspermidine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(CCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2888.9 | Semi standard non polar | 33892256 | Norspermidine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(CCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2808.2 | Standard non polar | 33892256 | Norspermidine,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(CCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2236.4 | Standard polar | 33892256 | Norspermidine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2863.8 | Semi standard non polar | 33892256 | Norspermidine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2771.6 | Standard non polar | 33892256 | Norspermidine,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2284.8 | Standard polar | 33892256 | Norspermidine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3205.1 | Semi standard non polar | 33892256 | Norspermidine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3003.9 | Standard non polar | 33892256 | Norspermidine,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2349.0 | 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 - Norspermidine GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9000000000-2fe7f2c84b7ac5a1015c | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Norspermidine 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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Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-001i-0900000000-e76eda3e2b74ed88d7ee | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-053r-7900000000-d2bbac4e463f15dc4beb | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-053r-9800000000-9831b1b2d26ead77bb90 | 2012-07-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-001i-0900000000-52e20d6ccbdbbadf204a | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF | splash10-00kb-9400000000-e7c781b49abb2c40bff5 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF | splash10-0592-9000000000-c236ecd9d64d3e812b77 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF | splash10-05fr-9000000000-a67dcf5d82b9e101ede8 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF | splash10-05mo-9000000000-d86d6a1c51a6868a498f | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ , positive-QTOF | splash10-001i-0900000000-52e20d6ccbdbbadf204a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ , positive-QTOF | splash10-00kb-9400000000-5532ea2874d7f8cf6c6b | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ , positive-QTOF | splash10-0592-9000000000-c236ecd9d64d3e812b77 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ , positive-QTOF | splash10-05fr-9000000000-a67dcf5d82b9e101ede8 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine LC-ESI-QQ , positive-QTOF | splash10-05mo-9000000000-d86d6a1c51a6868a498f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine 20V, Positive-QTOF | splash10-0a4j-9000000000-2905b6c621b8c4375eba | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine 10V, Positive-QTOF | splash10-00lr-5900000000-d7547633c293620e2e63 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine 40V, Positive-QTOF | splash10-0006-9000000000-549ec96a6b2cc4f881d8 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine 20V, Positive-QTOF | splash10-0a4j-9000000000-f97ba40a35801850bfaa | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine 10V, Positive-QTOF | splash10-067j-7900000000-9edaf9e25e87e873057f | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Norspermidine 40V, Positive-QTOF | splash10-052f-9000000000-f30bf2b82da69f216325 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norspermidine 10V, Positive-QTOF | splash10-00lr-2900000000-f2c893d4cbb8db7f04ed | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norspermidine 20V, Positive-QTOF | splash10-0apl-9400000000-1e2b6452d5b9a58dcae6 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norspermidine 40V, Positive-QTOF | splash10-052f-9000000000-26cb076b25b0176b12c4 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norspermidine 10V, Negative-QTOF | splash10-001i-0900000000-80d92e7f1d06b41155e8 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norspermidine 20V, Negative-QTOF | splash10-001i-3900000000-1629dea357713b1a5c53 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Norspermidine 40V, Negative-QTOF | splash10-00dl-9000000000-652df53898c4bf860731 | 2015-05-27 | 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 | Experimental 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 2021-10-10 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 500 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
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