Dataset

Viridicatol

This MassBank record with Accession MSBNK-AAFC-AC000847 contains the MS2 mass spectrum of Viridicatol with the InChIkey QIJIOTTYIGBOQA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H11NO3/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)16-15(19)14(13)18/h1-8,17-18H,(H,16,19)
SMILES C1=CC=C2C(=C1)C(=C(C(=O)N2)O)C3=CC(=CC=C3)O
InChI Key QIJIOTTYIGBOQA-UHFFFAOYSA-N
Molecular Formula C15H11NO3
Exact Mass 253.074 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-AC000847
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:26:36.163915
MetadataModified 2024-01-11T09:26:36.316959
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
77144 Brenda
DTXSID60893995 EPA CompTox Dashboard
115033 PubChem
14484-44-7 ACToR
45P12JNE0L FDA SRS
PD077957 ProbesDrugs
70000180 NMRShiftDB
30490364 eMolecules
ZINC000005117508 ZINC
EVOLUX CCDC
J103.562B Nikkaji
MCULE-4883141758 Mcule
HY-116474 MedChemExpress
The data in this table is sourced from UniChem at EBI.