Dataset

2-PENTANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005669 contains the MS mass spectrum of 2-PENTANOL with the InChIkey JYVLIDXNZAXMDK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
SMILES CCCC(C)O
InChI Key JYVLIDXNZAXMDK-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-JP005669
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • pentan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11148 Brenda
    174762 Brenda
    49341 Brenda
    HMDB0031599 Human Metabolome Database
    MTBLC77518 Metabolights
    2329 Brenda
    SCHEMBL14956 SureChEMBL
    20096922 NMRShiftDB
    77518 ChEBI
    MCULE-8205906299 Mcule
    22386 PubChem
    113244-42-1 ACToR
    6032-29-7 ACToR
    50858-14-5 ACToR
    15321068 PubChem: Thomson Pharma
    26184-62-3 ACToR
    51000-78-3 ACToR
    31087-44-2 ACToR
    530523 eMolecules
    CHEMBL45065 ChEMBL
    J9.802G Nikkaji
    DTXSID3052721 EPA CompTox Dashboard
    04G7050365 FDA SRS
    REQXAM CCDC
    CB1157606 ChemicalBook
    The data in this table is sourced from UniChem at EBI.