Dataset

Biotin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80825 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-BML80825
Version
Author
Maintainer
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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
    95156 ChEBI
    J1.346.234H Nikkaji
    BIOTIN CCDC
    HMDB0249220 Human Metabolome Database
    CHEMBL1527083 ChEMBL
    75330 NMRShiftDB
    MCULE-6549466078 Mcule
    27677677 eMolecules
    984048 eMolecules
    253 PubChem
    15937232 PubChem: Thomson Pharma
    PD001108 ProbesDrugs
    LSM-6430 LINCS
    SCHEMBL59420 SureChEMBL
    58-85-5 ACToR
    The data in this table is sourced from UniChem at EBI.