Dataset

Coumarin 106

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01761 contains the MS2 mass spectrum of Coumarin 106 with the InChIkey LLSRPENMALNOFW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H19NO2/c20-18-13-6-1-5-12(13)15-10-11-4-2-8-19-9-3-7-14(16(11)19)17(15)21-18/h10H,1-9H2
SMILES C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
InChI Key LLSRPENMALNOFW-UHFFFAOYSA-N
Molecular Formula C18H19NO2
Exact Mass 281.142 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-Washington_State_Univ-BML01761
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:40.332991
MetadataModified 2024-01-11T22:28:40.491570
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
100336 PubChem
41175-45-5 ACToR
SCHEMBL12153732 SureChEMBL
HIFMOY CCDC
J1.726.594F Nikkaji
J294.844C Nikkaji
38263 Brenda
14897600 PubChem: Thomson Pharma
9RGV583D48 FDA SRS
MCULE-9800445261 Mcule
CB6178790 ChemicalBook
DTXSID5068285 EPA CompTox Dashboard
ZINC000001081424 ZINC
1H,5H-CYCLOPENTA(3,4)(1)BENZOPYRANO(6,7,8-IJ)QUINOLIZIN-12(9H)-ONE, 2,3,6,7,10,11-HEXAHYDRO- rxnorm
717972 eMolecules
The data in this table is sourced from UniChem at EBI.