Dataset

Salmeterol

This MassBank record with Accession MSBNK-Waters-WA002480 contains the MS mass spectrum of Salmeterol with the InChIkey GIIZNNXWQWCKIB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
SMILES C(CCCCNCC(O)c(c2)cc(CO)c(O)c2)COCCCCc(c1)cccc1
InChI Key GIIZNNXWQWCKIB-UHFFFAOYSA-N
Molecular Formula C25H37NO4
Exact Mass 415.272 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-WA002480
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:07.222176
MetadataModified 2025-02-09T20:12:17.300602
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SAM001247096 NIH Clinical Collection
559 Guide to Pharmacology
C07241 KEGG Ligand
CHEMBL1263 ChEMBL
CB83050596 ChemicalBook
DB00938 DrugBank
CB32545735 ChemicalBook
CB42622471 ChemicalBook
CB12621448 ChemicalBook
CB52623293 ChemicalBook
SEREVENT rxnorm
SALMETEROL clinicaltrials
SALMETEROL XINAFOATE clinicaltrials
SN408D clinicaltrials
GR 33343 G clinicaltrials
GR-33343 G clinicaltrials
SEREVENT clinicaltrials
HY-14302 MedChemExpress
2I4BC502BT FDA SRS
DTXSID6023571 EPA CompTox Dashboard
2419 DrugCentral
J707.866H Nikkaji
25771 BindingDB
SALMETEROL DailyMed
SALMETEROL rxnorm
SALMETEROL XINAFOATE rxnorm
145081 Brenda
salmeterol DailyMed
55895 Brenda
HMDB0015073 Human Metabolome Database
CB9186866 ChemicalBook
145995 Brenda
SCHEMBL4767 SureChEMBL
5152 PubChem
PD002869 ProbesDrugs
64064 ChEBI
14904552 PubChem: Thomson Pharma
89365-50-4 ACToR
PA451300 PharmGKB
LSM-1240 LINCS
27523850 eMolecules
902442 eMolecules
The data in this table is sourced from UniChem at EBI.