Dataset

Orlistat

This MassBank record with Accession MSBNK-Athens_Univ-AU236203 contains the MS2 mass spectrum of Orlistat with the InChIkey AHLBNYSZXLDEJQ-FWEHEUNISA-N.

Chemical Info

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

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU236203
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:05.694968
MetadataModified 2024-01-11T09:49:05.849603
MetadataPublished 2019-05-30
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables