Dataset

Subsessiline

This MassBank record with Accession MSBNK-RIKEN-PR304695 contains the MS2 mass spectrum of Subsessiline with the InChIkey RZBFPDQKWUWUCK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3
SMILES COC(=O)C1=C2NC3=CC=CC=C3C22CCN3C2C2(CCOC2C24CC5CC67CCOC6CCN6CCC8(C76)C6=C(N(C2)C58OC34)C(OC)=CC=C6)C1
InChI Key RZBFPDQKWUWUCK-UHFFFAOYSA-N
Molecular Formula C43H48N4O6
Exact Mass 716.879 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304695
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:50.360136
MetadataModified 2024-01-11T20:43:50.519870
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
182033 PubChem
181316 ChEBI
The data in this table is sourced from UniChem at EBI.