Nicotinic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU048805
Dataset description:
This MassBank record with Accession MSBNK-LCSB-LU048805 contains the MS2 mass spectrum of Nicotinic acid with the InChIkey PVNIIMVLHYAWGP-UHFFFAOYSA-N.
Source: Nicotinic acid; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+
Chemical Info
| InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
|---|---|
| SMILES | OC(=O)C1=CC=CN=C1 |
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
| Exact Mass | 123.032 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 | 8a21a296-b8c2-4f16-8300-fd7b630f1651 |
| Package id | msbnk-lcsb-lu048805 |
| Resource type | HTML |
| State | active |