Dataset
Adrenalone
Chemical Info
InChI | InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3 |
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SMILES | CNCC(=O)c(c1)cc(O)c(O)c1 |
InChI Key | PZMVOUYYNKPMSI-UHFFFAOYSA-N |
Molecular Formula | C9H11NO3 |
Exact Mass | 181.074 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-Waters-WA001858 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:49:58.275080 |
MetadataModified | 2024-01-11T22:49:58.432276 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |