Dataset

Prostaglandin E1

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108426_B8BB contains the MS2 mass spectrum of Prostaglandin E1 with the InChIkey GMVPRGQOIOIIMI-DWKJAMRDSA-N.

Chemical Info

InChI	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
SMILES	CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
InChI Key	GMVPRGQOIOIIMI-DWKJAMRDSA-N
Molecular Formula	C20H34O5
Exact Mass	354.241 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N108426_B8BB
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:35:41.303995
MetadataModified	2024-01-11T09:35:41.472121
MetadataPublished	2022-04-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL495	ChEMBL
SAM001246840	NIH Clinical Collection
15544	ChEBI
12013405	PubChem: Drugs of the Future
C04741	KEGG Ligand
531173	eMolecules
29541183	eMolecules
1882	Guide to Pharmacology
SCHEMBL33317	SureChEMBL
XPG	PDBe
J3.319G	Nikkaji
60020600	NMRShiftDB
PD002898	ProbesDrugs
DB00770	DrugBank
F5TD010360	FDA SRS
14901056	PubChem: Thomson Pharma
119314-69-1	ACToR
Alprostadil(Caverject)	Selleck
14901054	PubChem: Thomson Pharma
745-65-3	ACToR
154395	Brenda
CB6141459	ChemicalBook
HMDB0001442	Human Metabolome Database
alprostadil	DailyMed
MTBLC15544	Metabolights
33678	Brenda
90230	Brenda
153410	Brenda
1654	Brenda
5280723	PubChem
50101853	BindingDB
PROSTE	CCDC
ZINC000003813088	ZINC
138	DrugCentral
LMFA03010134	LipidMaps
DTXSID9022578	EPA CompTox Dashboard
LSM-42979	LINCS
HY-B0131	MedChemExpress
PROSTIN VR PEDIATRIC	clinicaltrials
PROSTIN	clinicaltrials
PROSTAVASIN	clinicaltrials
PROSTAGLANDIN E1	clinicaltrials
ALPROSTADIL	clinicaltrials
CAVERJECT	clinicaltrials
CAVERJECT	rxnorm
PROSTIN VR	rxnorm
EDEX	rxnorm
ALPROSTADIL	rxnorm
ALPROSTADIL	DailyMed
The data in this table is sourced from UniChem at EBI.