Dataset

Trachelanthine

This MassBank record with Accession MSBNK-RIKEN-PR300596 contains the MS2 mass spectrum of Trachelanthine with the InChIkey DLNWZIVYKQXLTN-CGYUPCHJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H27NO5/c1-10(2)15(19,11(3)17)14(18)21-9-12-6-8-16(20)7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11?,12-,13+,15-,16?/m1/s1
SMILES CC(C)[C@@](O)(C(C)O)C(=O)OC[C@H]1CCN2(=O)CCC[C@@H]12
InChI Key DLNWZIVYKQXLTN-CGYUPCHJSA-N
Molecular Formula C15H27NO5
Exact Mass 301.383 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-PR300596
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:28:55.550739
MetadataModified 2025-02-09T18:29:16.218928
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60115406 NMRShiftDB
10523 PubChem
510-19-0 ACToR
The data in this table is sourced from UniChem at EBI.