Dataset
Quinolinic acid
Chemical Info
InChI | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) |
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SMILES | OC(=O)c(c1)c(ncc1)C(O)=O |
InChI Key | GJAWHXHKYYXBSV-UHFFFAOYSA-N |
Molecular Formula | C7H5NO4 |
Exact Mass | 167.022 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00679 |
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Author | |
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MetadataCreated | 2024-01-11T16:36:01.528605 |
MetadataModified | 2024-01-11T16:36:01.720202 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |