Dataset

Milrinone; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO001375 contains the MS2 mass spectrum of Milrinone with the InChIkey PZRHRDRVRGEVNW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
SMILES N#CC(C(=O)2)=CC(=C(C)N2)c(c1)ccnc1
InChI Key PZRHRDRVRGEVNW-UHFFFAOYSA-N
Molecular Formula C12H9N3O
Exact Mass 211.075 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO001375
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50693 ChEBI
    MCULE-8377851655 Mcule
    PA164749171 PharmGKB
    3352 Brenda
    HMDB0014380 Human Metabolome Database
    milrinone DailyMed
    ZINC000009224016 ZINC
    14797712 PubChem: Thomson Pharma
    4197 PubChem
    PD000378 ProbesDrugs
    JU9YAX04C7 FDA SRS
    14773322 PubChem: Thomson Pharma
    SCHEMBL36947 SureChEMBL
    78415-72-2 ACToR
    Milrinone(Primacor) Selleck
    LSM-3493 LINCS
    591956 eMolecules
    1809 DrugCentral
    15296 BindingDB
    MILRINONE DailyMed
    MILRINONE LACTATE rxnorm
    MILRINONE rxnorm
    MILRINONE LACTATE clinicaltrials
    HY-14252 MedChemExpress
    MILRINONE clinicaltrials
    PRIMACOR clinicaltrials
    J23.655A Nikkaji
    5225 Guide to Pharmacology
    DTXSID5023324 EPA CompTox Dashboard
    FILGEM CCDC
    DB00235 DrugBank
    12013065 PubChem: Drugs of the Future
    MIL PDBe
    CHEMBL189 ChEMBL
    SAM001246611 NIH Clinical Collection
    C07224 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.