Dataset

Biotin

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

Chemical Info

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
MetadataCreated 2024-01-11T22:28:53.521940
MetadataModified 2024-01-11T22:28:53.733783
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
984048 eMolecules
27677677 eMolecules
CHEMBL1527083 ChEMBL
95156 ChEBI
75330 NMRShiftDB
MCULE-6549466078 Mcule
BIOTIN CCDC
HMDB0249220 Human Metabolome Database
J1.346.234H Nikkaji
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.