Dataset

PARA-PHENETIDINE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005940 contains the MS mass spectrum of PARA-PHENETIDINE with the InChIkey IMPPGHMHELILKG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
SMILES CCOc(c1)ccc(N)c1
InChI Key IMPPGHMHELILKG-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005940
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85505 ChEBI
    DTXSID0025864 EPA CompTox Dashboard
    HMDB0246417 Human Metabolome Database
    J2.032J Nikkaji
    ZINC000000391847 ZINC
    CHEMBL250969 ChEMBL
    SCHEMBL15703 SureChEMBL
    10008688 NMRShiftDB
    9076 PubChem
    MCULE-5015601132 Mcule
    CB0386144 ChemicalBook
    30314 Brenda
    46366 Brenda
    MTBLC85505 Metabolights
    13768 Brenda
    PD055436 ProbesDrugs
    15146686 PubChem: Thomson Pharma
    156-43-4 ACToR
    9TSL224ZSE FDA SRS
    530455 eMolecules
    The data in this table is sourced from UniChem at EBI.