Dataset

1-PENTANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000276 contains the MS mass spectrum of 1-PENTANOL with the InChIkey AMQJEAYHLZJPGS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
SMILES CCCCCO
InChI Key AMQJEAYHLZJPGS-UHFFFAOYSA-N
Molecular Formula C5H12O
Exact Mass 88.089 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-JP000276
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • pentan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID6021741 EPA CompTox Dashboard
    LMFA05000112 LipidMaps
    J1.423K Nikkaji
    ZINC000001687154 ZINC
    CB3158874 ChemicalBook
    10008652 NMRShiftDB
    C16834 KEGG Ligand
    CHEMBL14568 ChEMBL
    44884 ChEBI
    PE9 PDBe
    MTBLC44884 Metabolights
    6137 Brenda
    1542 Brenda
    113922 Brenda
    CB7158872 ChemicalBook
    1156 Brenda
    45324 Brenda
    HMDB0013036 Human Metabolome Database
    2278 Brenda
    52151 Brenda
    SCHEMBL10668 SureChEMBL
    6276 PubChem
    MCULE-8714292632 Mcule
    M9L931X26Y FDA SRS
    15321069 PubChem: Thomson Pharma
    71-41-0 ACToR
    481385 eMolecules
    The data in this table is sourced from UniChem at EBI.