Dataset

Flindersine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81242 contains the MS mass spectrum of Flindersine with the InChIkey PXNMNABLQWUMCX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)
SMILES CC1(C=CC2=C(O1)C3=CC=CC=C3NC2=O)C
InChI Key PXNMNABLQWUMCX-UHFFFAOYSA-N
Molecular Formula C14H13NO2
Exact Mass 227.095 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-BML81242
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:58.808870
MetadataModified 2024-01-11T22:25:58.963553
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1235352 eMolecules
CHEMBL1507844 ChEMBL
C10679 KEGG Ligand
MCULE-7745509945 Mcule
J11.708K Nikkaji
30001542 NMRShiftDB
68230 PubChem
15245334 PubChem: Thomson Pharma
SCHEMBL3125149 SureChEMBL
523-64-8 ACToR
6A8PD12CKP FDA SRS
ZINC000008579393 ZINC
5094 ChEBI
DTXSID80200324 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.