Dataset

Ethylparaben; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU236758 contains the MS2 mass spectrum of Ethylparaben with the InChIkey NUVBSKCKDOMJSU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
SMILES CCOC(=O)C1=CC=C(O)C=C1
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula C9H10O3
Exact Mass 166.063 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-AU236758
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MetadataPublished 2019-03-29
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    10024859 NMRShiftDB
    MCULE-4906467392 Mcule
    8434 PubChem
    119107 Brenda
    HMDB0032573 Human Metabolome Database
    54717 Brenda
    62701 Brenda
    MTBLC31575 Metabolights
    CB5119772 ChemicalBook
    PD002502 ProbesDrugs
    E4B PDBe
    14255EXE39 FDA SRS
    14772514 PubChem: Thomson Pharma
    120-47-8 ACToR
    SCHEMBL28368 SureChEMBL
    9001-05-2 ACToR
    478729 eMolecules
    CHEMBL15841 ChEMBL
    CB9273573 ChemicalBook
    DB13628 DrugBank
    FEGLEI CCDC
    ETHYL-P-HYDROXYBENZOATE rxnorm
    50428380 BindingDB
    HY-B0934 MedChemExpress
    J2.917C Nikkaji
    ZINC000000001392 ZINC
    4773 DrugCentral
    31575 ChEBI
    DTXSID9022528 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.