Dataset

Ebastin; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA2408237762PH contains the MS2 mass spectrum of Ebastin with the InChIkey MJJALKDDGIKVBE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C32H39NO2/c1-32(2,3)28-18-16-25(17-19-28)30(34)15-10-22-33-23-20-29(21-24-33)35-31(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-14,16-19,29,31H,10,15,20-24H2,1-3H3
SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChI Key MJJALKDDGIKVBE-UHFFFAOYSA-N
Molecular Formula C32H39NO2
Exact Mass 469.298 g/mol

Data and Resources

Metadata Information

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Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA2408237762PH
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MetadataPublished 2023-08-13
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