Itaconic acid (Not validated)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309123
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR309123 contains the MS2 mass spectrum of Itaconic acid (Not validated) with the InChIkey LVHBHZANLOWSRM-UHFFFAOYSA-N.
Source: Itaconic acid (Not validated)
Chemical Info
| InChI | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) |
|---|---|
| SMILES | O=C(O)C(=C)CC(=O)O |
| InChI Key | LVHBHZANLOWSRM-UHFFFAOYSA-N |
| Molecular Formula | C5H6O4 |
| Exact Mass | 130.099 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | ab58f838-e6d6-48ae-9c5e-80cb0093a030 |
| Package id | msbnk-riken-pr309123 |
| Resource type | HTML |
| State | active |