Dataset

Orlistat; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-WANA239903B085PH contains the MS2 mass spectrum of Orlistat with the InChIkey AHLBNYSZXLDEJQ-FWEHEUNISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
SMILES CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
InChI Key AHLBNYSZXLDEJQ-FWEHEUNISA-N
Molecular Formula C29H53NO5
Exact Mass 495.392 g/mol

Data and Resources

Metadata Information

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DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-WANA239903B085PH
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MetadataPublished 2023-08-12
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