Dataset

Dehydrosalsolidine

This MassBank record with Accession MSBNK-RIKEN-PR301419 contains the MS2 mass spectrum of Dehydrosalsolidine with the InChIkey VASUQTGZAPZKFK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
SMILES COC1=C(OC)C=C2C(C)=NCCC2=C1
InChI Key VASUQTGZAPZKFK-UHFFFAOYSA-N
Molecular Formula C12H15NO2
Exact Mass 205.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301419
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:10.462079
MetadataModified 2024-01-11T20:44:10.642666
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL291083 ChEMBL
713957 eMolecules
22652 PubChem
15291750 PubChem: Thomson Pharma
4721-98-6 ACToR
181377 ChEBI
20182474 NMRShiftDB
SCHEMBL1148346 SureChEMBL
MCULE-4253771992 Mcule
J80.889J Nikkaji
CB9774005 ChemicalBook
DTXSID80197068 EPA CompTox Dashboard
ZINC000001667098 ZINC
50014656 BindingDB
The data in this table is sourced from UniChem at EBI.