trans-Aconitate, trans-Aconitic acid, Citridic...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT210110
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT210110 contains the MS2 mass spectrum of trans-Aconitate, trans-Aconitic acid, Citridic Acid, (E)-prop-1-ene-1,2,3-tricarboxylic...
Chemical Info
| InChI | InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12) |
|---|---|
| SMILES | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| InChI Key | GTZCVFVGUGFEME-UHFFFAOYSA-N |
| Molecular Formula | C6H6O6 |
| Exact Mass | 174.108 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 | 3efb6a33-6fe7-481b-a73a-2a762789095f |
| Package id | msbnk-riken_respect-pt210110 |
| Resource type | HTML |
| State | active |