Dataset

Phenylephrine 3-O-sulfate; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01155305 contains the MS2 mass spectrum of Phenylephrine 3-O-sulfate with the InChIkey RNPCQQLCTVIPNU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13NO5S/c1-10-6-9(11)7-3-2-4-8(5-7)15-16(12,13)14/h2-5,9-11H,6H2,1H3,(H,12,13,14)
SMILES CNCC(C1=CC(=CC=C1)OS(=O)(=O)O)O
InChI Key RNPCQQLCTVIPNU-UHFFFAOYSA-N
Molecular Formula C9H13NO5S
Exact Mass 247.051 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01155305
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MetadataPublished 2024-05-08
Related Molecule
  • [3-[1-hydroxy-2-(methylamino)ethyl]phenyl] hydrogen sulfate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139600527 PubChem
    PD094334 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.