Dataset

Biotin; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80826 contains the MS mass spectrum of Biotin with the InChIkey YBJHBAHKTGYVGT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
SMILES C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
InChI Key YBJHBAHKTGYVGT-UHFFFAOYSA-N
Molecular Formula C10H16N2O3S
Exact Mass 244.088 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80826
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:95156 chebi
    CHEMBL1527083 chembl
    59420 surechembl
    253 pubchem
    4787 gtopdb
    PD001108 probes_and_drugs
    BIOTIN CCDC
    HMDB0249220 hmdb
    Molport-001-788-412 molport
    The data in this table is sourced from UniChem at EBI.