Dataset

Guaifenesin

This MassBank record with Accession MSBNK-Waters-WA001460 contains the MS mass spectrum of Guaifenesin with the InChIkey HSRJKNPTNIJEKV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3
SMILES OCC(O)COc(c1)c(OC)ccc1
InChI Key HSRJKNPTNIJEKV-UHFFFAOYSA-N
Molecular Formula C10H14O4
Exact Mass 198.089 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001460
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:40:14.486076
MetadataModified 2025-02-09T20:22:51.912749
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
7617 Guide to Pharmacology
1336 DrugCentral
5551 ChEBI
DTXSID5023114 EPA CompTox Dashboard
495W7451VQ FDA SRS
HY-B0264 MedChemExpress
50240098 BindingDB
GUAIFENESIN rxnorm
MUCINEX rxnorm
GUAIFENESIN DailyMed
J3.936E Nikkaji
ROBITUSSIN clinicaltrials
MUCINEX clinicaltrials
GUAIFENESIN clinicaltrials
DB00874 DrugBank
CHEMBL980 ChEMBL
14773055 PubChem: Thomson Pharma
3516 PubChem
PD002316 ProbesDrugs
CB3649080 ChemicalBook
LSM-1896 LINCS
93-14-1 ACToR
SCHEMBL4321 SureChEMBL
Guaifenesin(Guaiphenesin) Selleck
PA449818 PharmGKB
12041-73-5 ACToR
538761 eMolecules
HMDB0004998 Human Metabolome Database
CB1743199 ChemicalBook
guaifenesin DailyMed
MCULE-8909929116 Mcule
20143234 NMRShiftDB
The data in this table is sourced from UniChem at EBI.