Dataset

Erlotinib

This MassBank record with Accession MSBNK-BAFG-CSL23111010582 contains the MS2 mass spectrum of Erlotinib with the InChIkey AAKJLRGGTJKAMG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
SMILES COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
InChI Key AAKJLRGGTJKAMG-UHFFFAOYSA-N
Molecular Formula C22H23N3O4
Exact Mass 393.169 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111010582
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T11:30:19.111857
MetadataModified 2024-01-11T11:30:19.286456
MetadataPublished 2023-11-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables