Dataset

O-Desarylranolazine; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01153405 contains the MS2 mass spectrum of O-Desarylranolazine with the InChIkey LDEJNELBMSFPDJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H27N3O3/c1-13-4-3-5-14(2)17(13)18-16(23)11-20-8-6-19(7-9-20)10-15(22)12-21/h3-5,15,21-22H,6-12H2,1-2H3,(H,18,23)
SMILES CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(CO)O
InChI Key LDEJNELBMSFPDJ-UHFFFAOYSA-N
Molecular Formula C17H27N3O3
Exact Mass 321.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01153405
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MetadataPublished 2024-05-08
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    27519020 eMolecules
    46781239 PubChem
    99433762 PubChem: Thomson Pharma
    DTXSID70675825 EPA CompTox Dashboard
    04210SF62M FDA SRS
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    The data in this table is sourced from UniChem at EBI.