D-Pantothenic acid hemicalcium salt,...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS100608
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS100608 contains the MS2 mass spectrum of D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate,...
Chemical Info
| InChI | InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13) |
|---|---|
| SMILES | CC(C)(CO)C(C(=O)NCCC(=O)O)O |
| InChI Key | GHOKWGTUZJEAQD-UHFFFAOYSA-N |
| Molecular Formula | C9H17NO5 |
| Exact Mass | 219.237 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 31c42ff5-7cbb-401f-94a5-bee440a09cd3 |
| Package id | msbnk-riken_respect-ps100608 |
| Resource type | HTML |
| State | active |