Dataset

6-Acetylmorphine

This MassBank record with Accession MSBNK-Waters-WA002833 contains the MS mass spectrum of 6-Acetylmorphine with the InChIkey JJGYGPZNTOPXGV-SSTWWWIQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
SMILES CC(=O)OC(C=5)C(O2)C(C4)(c13)C([H])(C5)C(N(C)C4)Cc(ccc(O)c23)1
InChI Key JJGYGPZNTOPXGV-SSTWWWIQSA-N
Molecular Formula C19H21NO4
Exact Mass 327.147 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-WA002833
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:31:19.127727
MetadataModified 2025-02-09T20:21:09.701187
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C11781 KEGG Ligand
CHEMBL592009 ChEMBL
J330.682H Nikkaji
2168 ChEBI
DTXSID60182154 EPA CompTox Dashboard
224020 BindingDB
MTBLC2168 Metabolights
ZINC000004102204 ZINC
33916 Brenda
31754 Brenda
SCHEMBL7940016 SureChEMBL
5462507 PubChem
PD017203 ProbesDrugs
15049956 PubChem: Thomson Pharma
2784-73-8 ACToR
M5E47P1ZCH FDA SRS
10144098 eMolecules
The data in this table is sourced from UniChem at EBI.