Dataset

Norbuprenorphine

This MassBank record with Accession MSBNK-Waters-WA001104 contains the MS mass spectrum of Norbuprenorphine with the InChIkey YOYLLRBMGQRFTN-IOMBULRVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1
SMILES C(C526)CNC(C436)([H])Cc(c15)ccc(c(OC(C(CC4)(C(C(C)(O)C(C)(C)C)(C3)[H])OC)2[H])1)O
InChI Key YOYLLRBMGQRFTN-IOMBULRVSA-N
Molecular Formula C25H35NO4
Exact Mass 413.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:42.593290
MetadataModified 2024-01-11T22:47:42.752928
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1743323 ChEMBL
PD076993 ProbesDrugs
7E53B4O073 FDA SRS
83176-47-0 ACToR
78715-23-8 ACToR
SCHEMBL14408877 SureChEMBL
114976 PubChem
HMDB0060546 Human Metabolome Database
DTXSID60891436 EPA CompTox Dashboard
172315 ChEBI
ZINC000006031944 ZINC
NORBUPRENORPHINE clinicaltrials
The data in this table is sourced from UniChem at EBI.