Dataset

Propylparaben; LC-ESI-QTOF; MS2; CE: Ramp 19.2-28.7 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU237262 contains the MS2 mass spectrum of Propylparaben with the InChIkey QELSKZZBTMNZEB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3
SMILES CCCOC(=O)C1=CC=C(O)C=C1
InChI Key QELSKZZBTMNZEB-UHFFFAOYSA-N
Molecular Formula C10H12O3
Exact Mass 180.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU237262
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MetadataPublished 2019-03-29
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    DUPKAB CCDC
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    198914 brenda
    54719 brenda
    62702 brenda
    Z8IX2SC1OH fdasrs
    HMDB0032574 hmdb
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    2307 drugcentral
    70190 bindingdb
    The data in this table is sourced from UniChem at EBI.