Dataset

Guaifenesin; LC-ESI-Q; MS; POS; 60 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001459 contains the MS mass spectrum of Guaifenesin with the InChIkey HSRJKNPTNIJEKV-UHFFFAOYSA-N.

Chemical Information

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-WA001459
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-methoxyphenoxy)propane-1,2-diol
    • 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.