Dataset

DL-Coniine

This MassBank record with Accession MSBNK-RIKEN-PR301502 contains the MS2 mass spectrum of DL-Coniine with the InChIkey NDNUANOUGZGEPO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3
SMILES CCCC1CCCCN1
InChI Key NDNUANOUGZGEPO-UHFFFAOYSA-N
Molecular Formula C8H17N
Exact Mass 127.231 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-RIKEN-PR301502
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:44:09.724619
MetadataModified 2024-01-11T20:44:09.872942
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL21867 ChEMBL
536606 eMolecules
CB5700543 ChemicalBook
HMDB0030285 Human Metabolome Database
DTXSID3046821 EPA CompTox Dashboard
MCULE-1672724119 Mcule
04R53ZF48T FDA SRS
HY-121229A MedChemExpress
3238-60-6 ACToR
9985 PubChem
SCHEMBL96923 SureChEMBL
16935372 PubChem: Thomson Pharma
10388-95-1 ACToR
PD014282 ProbesDrugs
10016306 NMRShiftDB
J1.077.264H Nikkaji
The data in this table is sourced from UniChem at EBI.