Dataset

Aurantiamide acetate

This MassBank record with Accession MSBNK-AAFC-AC000713 contains the MS2 mass spectrum of Aurantiamide acetate with the InChIkey VZPAURMDJZOGHU-SKCDSABHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25?/m0/s1
SMILES CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI Key VZPAURMDJZOGHU-SKCDSABHSA-N
Molecular Formula C27H28N2O4
Exact Mass 444.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000713
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:44:01.651352
MetadataModified 2024-01-11T09:22:05.254470
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
124319 PubChem
DTXSID00893272 EPA CompTox Dashboard
60073331 NMRShiftDB
56121-42-7 ACToR
194125 ChEBI
The data in this table is sourced from UniChem at EBI.