Dataset

Spectinomycin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82210 contains the MS mass spectrum of Spectinomycin with the InChIkey UNFWWIHTNXNPBV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3
SMILES CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O
InChI Key UNFWWIHTNXNPBV-UHFFFAOYSA-N
Molecular Formula C14H24N2O7
Exact Mass 332.158 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-BML82210
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:21:59.605460
MetadataModified 2024-01-11T22:21:59.779505
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
31548421 eMolecules
SCHEMBL8053238 SureChEMBL
CHEMBL2009700 ChEMBL
PD067727 ProbesDrugs
MCULE-3065096481 Mcule
2021 PubChem
The data in this table is sourced from UniChem at EBI.