Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002104
Dataset description:
This MassBank record with Accession MSBNK-Keio_Univ-KO002104 contains the MS2 mass spectrum of Adenylosuccinic acid with the InChIkey OFBHPPMPBOJXRT-VWJPMABRSA-N.
Source: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
Chemical Info
| Synonyms |
|---|
| Adenylosuccinate |
| N6-(1,2-Dicarboxyethyl)-AMP |
| Adenylosuccinic acid |
| InChI | InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1 |
|---|---|
| SMILES | OC(=O)CC(C(O)=O)Nc(n3)c(n2)c(nc3)n(c2)C(O1)C(O)C(O)C(COP(O)(O)=O)1 |
| InChI Key | OFBHPPMPBOJXRT-VWJPMABRSA-N |
| Molecular Formula | C14H18N5O11P |
| Exact Mass | 463.074 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 22, 2024 |
| Metadata last updated | January 22, 2024 |
| Created | January 22, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | ea4fc81a-1bee-4b79-84f0-3974ce9a3225 |
| Package id | msbnk-keio_univ-ko002104 |
| Resource type | HTML |
| State | active |