Dataset

Spiroxamine

This MassBank record with Accession MSBNK-UFZ-UF401903 contains the MS2 mass spectrum of Spiroxamine with the InChIkey PUYXTUJWRLOUCW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
SMILES CCCN(CC)CC1COC2(CCC(CC2)C(C)(C)C)O1
InChI Key PUYXTUJWRLOUCW-UHFFFAOYSA-N
Molecular Formula C18H35NO2
Exact Mass 297.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF401903
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:02:04.168608
MetadataModified 2025-02-09T19:49:50.627467
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
174594 Brenda
PD085454 ProbesDrugs
86160 PubChem
SCHEMBL20282 SureChEMBL
14751600 PubChem: Thomson Pharma
118134-30-8 ACToR
511378 eMolecules
CB9324635 ChemicalBook
252976 Brenda
DTXSID1034212 EPA CompTox Dashboard
HMDB0258432 Human Metabolome Database
MCULE-9507982331 Mcule
OUT5YHB7BO FDA SRS
J1.596.319K Nikkaji
CHEMBL445338 ChEMBL
C11124 KEGG Ligand
9242 ChEBI
The data in this table is sourced from UniChem at EBI.