Dataset

Nantenine

This MassBank record with Accession MSBNK-RIKEN-PR300557 contains the MS2 mass spectrum of Nantenine with the InChIkey WSVWKHTVFGTTKJ-AWEZNQCLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
SMILES COC1=C(OC)C2=C3[C@H](CC4=CC5=C(OCO5)C=C24)N(C)CCC3=C1
InChI Key WSVWKHTVFGTTKJ-AWEZNQCLSA-N
Molecular Formula C20H21NO4
Exact Mass 339.391 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-PR300557
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:59.519203
MetadataModified 2024-01-11T20:39:59.696062
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14827116 PubChem: Thomson Pharma
2565-01-7 ACToR
SCHEMBL1254592 SureChEMBL
60026148 NMRShiftDB
XE0AU8C122 FDA SRS
197001 PubChem
MTBLC68992 Metabolights
CHEMBL179440 ChEMBL
J14.216F Nikkaji
50160160 BindingDB
68992 ChEBI
ZINC000000338136 ZINC
DTXSID70180343 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.