Dataset

Tenuazonic acid

This MassBank record with Accession MSBNK-AAFC-AC000640 contains the MS2 mass spectrum of Tenuazonic acid with the InChIkey CEIZFXOZIQNICU-XNCJUZBTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)/t5-,8-/m0/s1
SMILES CC[C@H](C)[C@H]1C(=C(C(=O)N1)C(=O)C)O
InChI Key CEIZFXOZIQNICU-XNCJUZBTSA-N
Molecular Formula C10H15NO3
Exact Mass 197.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000640
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:27:17.665592
MetadataModified 2024-01-11T09:27:17.808657
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
54683011 PubChem
CB2504890 ChemicalBook
PD020009 ProbesDrugs
60028292 NMRShiftDB
Y2J8Y1TO29 FDA SRS
HY-N6715 MedChemExpress
ZINC000095671351 ZINC
J8.138H Nikkaji
218013 Brenda
CHEMBL511015 ChEMBL
594795 eMolecules
The data in this table is sourced from UniChem at EBI.