Dataset

Efavirenz; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

This MassBank record with Accession MSBNK-CASMI_2016-SM851803 contains the MS2 mass spectrum of Efavirenz with the InChIkey XPOQHMRABVBWPR-ZDUSSCGKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
SMILES FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1
InChI Key XPOQHMRABVBWPR-ZDUSSCGKSA-N
Molecular Formula C14H9ClF3NO2
Exact Mass 315.027 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-CASMI_2016-SM851803
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MetadataPublished 2016-12-12
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.