Dataset

Indomethacin

This MassBank record with Accession MSBNK-BAFG-CSL2311095631 contains the MS2 mass spectrum of Indomethacin with the InChIkey CGIGDMFJXJATDK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
SMILES COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3
InChI Key CGIGDMFJXJATDK-UHFFFAOYSA-N
Molecular Formula C19H16ClNO4
Exact Mass 357.077 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311095631
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:57:02.282613
MetadataModified 2024-01-11T10:57:02.444801
MetadataPublished 2023-11-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables