Dataset

Biotin; LC-ESI-IT; MS4; m/z: 245/227/209; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO008884 contains the MS4 mass spectrum of Biotin with the InChIkey YBJHBAHKTGYVGT-ZKWXMUAHSA-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)/t6-,7-,9-/m0/s1
SMILES OC(=O)CCCC[C@H](S1)[C@@H](N2)[C@@H](NC(=O)2)C1
InChI Key YBJHBAHKTGYVGT-ZKWXMUAHSA-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO008884
Version
Author
Maintainer
Language
MetadataPublished 2011-12-05
Related Molecule
  • 5-[(3aS,4S,6aR)-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
    DB00121 drugbank
    CHEBI:15956 chebi
    BTN rcsb_pdb
    CHEMBL857 chembl
    8763 surechembl
    171548 pubchem
    6SO6U10H04 fdasrs
    BTN pdbe
    PD010231 probes_and_drugs
    BIOTIN CCDC
    12729 brenda
    143 brenda
    20214 brenda
    29884 brenda
    HMDB0000030 hmdb
    NCT00731588 clinicaltrials
    NCT01005303 clinicaltrials
    NCT01572506 clinicaltrials
    NCT02075970 clinicaltrials
    NCT02077751 clinicaltrials
    NCT02220244 clinicaltrials
    NCT02220933 clinicaltrials
    NCT02757898 clinicaltrials
    NCT02936037 clinicaltrials
    NCT03427086 clinicaltrials
    NCT03995277 clinicaltrials
    NCT04476277 clinicaltrials
    NCT04478734 clinicaltrials
    NCT04478734 clinicaltrials
    NCT05450900 clinicaltrials
    NCT05632549 clinicaltrials
    Molport-002-507-373 molport
    373 drugcentral
    12 bindingdb
    The data in this table is sourced from UniChem at EBI.