Dataset

Salmeterol

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

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

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	2024-01-11T22:50:07.377029
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
CB42622471	ChemicalBook
145995	Brenda
HMDB0015073	Human Metabolome Database
CB52623293	ChemicalBook
CB83050596	ChemicalBook
MolPort-005-933-084	MolPort
salmeterol	DailyMed
145081	Brenda
55895	Brenda
CB12621448	ChemicalBook
CB32545735	ChemicalBook
DB00938	DrugBank
CB9186866	ChemicalBook
LSM-1240	LINCS
64064	ChEBI
PD002869	ProbesDrugs
5152	PubChem
14904552	PubChem: Thomson Pharma
PA451300	PharmGKB
89365-50-4	ACToR
25771	BindingDB
DTXSID6023571	EPA CompTox Dashboard
2419	DrugCentral
2I4BC502BT	FDA SRS
HY-14302	MedChemExpress
SEREVENT	clinicaltrials
SALMETEROL	DailyMed
SALMETEROL	rxnorm
SALMETEROL XINAFOATE	rxnorm
SEREVENT	rxnorm
SALMETEROL	clinicaltrials
SALMETEROL XINAFOATE	clinicaltrials
SN408D	clinicaltrials
GR 33343 G	clinicaltrials
GR-33343 G	clinicaltrials
SCHEMBL4767	SureChEMBL
J707.866H	Nikkaji
The data in this table is sourced from UniChem at EBI.