Dataset

Retrorsine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00528 contains the MS2 mass spectrum of Retrorsine with the InChIkey BCJMNZRQJAVDLD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3
SMILES CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C
InChI Key BCJMNZRQJAVDLD-UHFFFAOYSA-N
Molecular Formula C18H25NO6
Exact Mass 351.168 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-BML00528
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:20.635518
MetadataModified 2024-01-11T22:27:20.794371
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
267891 PubChem
PD087462 ProbesDrugs
HMDB0242334 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.