N-ACETYLNEURAMINATE
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P102103_FB57
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102103_FB57 contains the MS2 mass spectrum of N-ACETYLNEURAMINATE with the InChIkey SQVRNKJHWKZAKO-PFQGKNLYSA-N.
Source: N-ACETYLNEURAMINATE
Chemical Info
| InChI | InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
| InChI Key | SQVRNKJHWKZAKO-PFQGKNLYSA-N |
| Molecular Formula | C11H19NO9 |
| Exact Mass | 309.106 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 4.0 International (CC BY 4.0) |
| Id | 76afb704-bfec-4906-98e0-c8b16d456cc1 |
| Package id | msbnk-antwerp_univ-metox_p102103_fb57 |
| Resource type | HTML |
| State | active |