Dataset

4-Hydroxypropanolol-sulfate

This MassBank record with Accession MSBNK-Eawag-EQ01155106 contains the MS2 mass spectrum of 4-Hydroxypropanolol-sulfate with the InChIkey ODCKICSDIPVTRM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H21NO6S/c1-11(2)17-9-12(18)10-22-15-7-8-16(23-24(19,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,19,20,21)
SMILES CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)O)O
InChI Key ODCKICSDIPVTRM-UHFFFAOYSA-N
Molecular Formula C16H21NO6S
Exact Mass 355.109 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-EQ01155106
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:11:34.394830
MetadataModified 2025-02-09T10:11:34.567698
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
135862 PubChem
10499223 eMolecules
15374042 PubChem: Thomson Pharma
87075-33-0 ACToR
J2.915.423F Nikkaji
FRG22A758K FDA SRS
CB81175288 ChemicalBook
The data in this table is sourced from UniChem at EBI.