Dataset

Animicin A

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00949 contains the MS2 mass spectrum of Animicin A with the InChIkey UIFFUZWRFRDZJC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)
SMILES CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C
InChI Key UIFFUZWRFRDZJC-UHFFFAOYSA-N
Molecular Formula C28H40N2O9
Exact Mass 548.273 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-Washington_State_Univ-BML00949
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:20.147905
MetadataModified 2024-01-11T22:28:20.361969
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5886895477 Mcule
15358998 PubChem: Thomson Pharma
27220-56-0 ACToR
PD065481 ProbesDrugs
HMDB0248488 Human Metabolome Database
J7.054H Nikkaji
12550 PubChem
SCHEMBL3717357 SureChEMBL
C11339 KEGG Ligand
The data in this table is sourced from UniChem at EBI.