Dataset

Salmeterol

This MassBank record with Accession MSBNK-Waters-WA002481 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-WA002481
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:44:45.439289
MetadataModified 2024-01-11T22:44:45.600115
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1263 ChEMBL
SAM001247096 NIH Clinical Collection
C07241 KEGG Ligand
559 Guide to Pharmacology
27523850 eMolecules
902442 eMolecules
GR 33343 G clinicaltrials
GR-33343 G clinicaltrials
SEREVENT clinicaltrials
SALMETEROL clinicaltrials
SALMETEROL XINAFOATE clinicaltrials
SN408D clinicaltrials
2I4BC502BT FDA SRS
SALMETEROL XINAFOATE rxnorm
SALMETEROL rxnorm
HY-14302 MedChemExpress
SALMETEROL DailyMed
25771 BindingDB
DTXSID6023571 EPA CompTox Dashboard
2419 DrugCentral
SEREVENT rxnorm
CB9186866 ChemicalBook
salmeterol DailyMed
CB12621448 ChemicalBook
145995 Brenda
HMDB0015073 Human Metabolome Database
CB42622471 ChemicalBook
55895 Brenda
145081 Brenda
CB52623293 ChemicalBook
CB83050596 ChemicalBook
DB00938 DrugBank
CB32545735 ChemicalBook
SCHEMBL4767 SureChEMBL
J707.866H Nikkaji
5152 PubChem
PD002869 ProbesDrugs
64064 ChEBI
14904552 PubChem: Thomson Pharma
89365-50-4 ACToR
PA451300 PharmGKB
LSM-1240 LINCS
The data in this table is sourced from UniChem at EBI.