Dataset

Pholcodine

This MassBank record with Accession MSBNK-Waters-WA001122 contains the MS mass spectrum of Pholcodine with the InChIkey GPFAJKDEDBRFOS-FKQDBXSBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3/t16-,17+,18-,22-,23-/m0/s1
SMILES O(C6)CCN(C6)CCOc(c5)c(O4)c(c(c5)1)C(C2)(C34)C([H])(C=CC(O)3)C(N(C)C2)C1
InChI Key GPFAJKDEDBRFOS-FKQDBXSBSA-N
Molecular Formula C23H30N2O4
Exact Mass 398.221 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-WA001122
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:44:08.373298
MetadataModified 2025-02-09T20:23:06.542960
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0041984 Human Metabolome Database
ZINC000004217287 ZINC
MTBLC53579 Metabolights
SCHEMBL154354 SureChEMBL
5311356 PubChem
14830389 PubChem: Thomson Pharma
PD009004 ProbesDrugs
LPP64AWZ7L FDA SRS
CHEMBL2105224 ChEMBL
509-67-1 ACToR
PHOLCODINE clinicaltrials
PHOLCODINE rxnorm
EGINEP CCDC
J6.252I Nikkaji
2154 DrugCentral
DTXSID70198923 EPA CompTox Dashboard
9086 Guide to Pharmacology
DB09209 DrugBank
53579 ChEBI
The data in this table is sourced from UniChem at EBI.