Dataset

Diphenhydramine N-glucuronide; LC-ESI-QFT; MS2; CE: 180%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01155209 contains the MS2 mass spectrum of Diphenhydramine N-glucuronide with the InChIkey OAIGZXXQYIJBLR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H29NO7/c1-24(2,22-19(27)17(25)18(26)21(31-22)23(28)29)13-14-30-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17-22,25-27H,13-14H2,1-2H3
SMILES C[N+](C)(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O
InChI Key OAIGZXXQYIJBLR-UHFFFAOYSA-N
Molecular Formula C23H29NO7
Exact Mass 431.194 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01155209
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MetadataPublished 2024-05-08
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    53463053 pubchem
    The data in this table is sourced from UniChem at EBI.