Dataset

Prostaglandin E1; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108426_9CB7 contains the MS2 mass spectrum of Prostaglandin E1 with the InChIkey GMVPRGQOIOIIMI-DWKJAMRDSA-N.

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N108426_9CB7
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MetadataPublished 2022-04-09
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    15544 ChEBI
    12013405 PubChem: Drugs of the Future
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    50101853 BindingDB
    EDEX rxnorm
    PROSTIN VR rxnorm
    CAVERJECT rxnorm
    PROSTIN clinicaltrials
    PROSTIN VR PEDIATRIC clinicaltrials
    CAVERJECT clinicaltrials
    ALPROSTADIL clinicaltrials
    PROSTAGLANDIN E1 clinicaltrials
    PROSTAVASIN clinicaltrials
    HY-B0131 MedChemExpress
    LSM-42979 LINCS
    DTXSID9022578 EPA CompTox Dashboard
    LMFA03010134 LipidMaps
    138 DrugCentral
    1882 Guide to Pharmacology
    J3.319G Nikkaji
    PROSTE CCDC
    ALPROSTADIL rxnorm
    5280723 PubChem
    SCHEMBL33317 SureChEMBL
    XPG PDBe
    153410 Brenda
    1654 Brenda
    33678 Brenda
    ZINC000003813088 ZINC
    alprostadil DailyMed
    154395 Brenda
    CB6141459 ChemicalBook
    HMDB0001442 Human Metabolome Database
    MTBLC15544 Metabolights
    90230 Brenda
    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
    531173 eMolecules
    29541183 eMolecules
    The data in this table is sourced from UniChem at EBI.