Dataset

Phenylephrine 3-O-sulfate

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 Info

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

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01155305
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:32:43.287383
MetadataModified 2025-02-09T09:32:43.495667
MetadataPublished 2024-05-08
Related Molecule
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.