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
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Maintainer
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MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    29759010 surechembl
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    495W7451VQ fdasrs
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    PD002316 probes_and_drugs
    CHEBI:5551 chebi
    HMDB0004998 hmdb
    DTXSID5023114 comptox
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    Molport-001-759-987 molport
    Molport-002-507-424 molport
    1336 drugcentral
    50240098 bindingdb
    The data in this table is sourced from UniChem at EBI.