Dataset

Coniine

This MassBank record with Accession MSBNK-NaToxAq-NA001129 contains the MS2 mass spectrum of Coniine with the InChIkey NDNUANOUGZGEPO-QMMMGPOBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
SMILES CCC[C@H]1CCCCN1
InChI Key NDNUANOUGZGEPO-QMMMGPOBSA-N
Molecular Formula C8H17N
Exact Mass 127.136 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-NaToxAq-NA001129
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:15:51.327898
MetadataModified 2025-02-09T17:00:19.732975
MetadataPublished 2019-07-31
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C06523 KEGG Ligand
28322 ChEBI
J5.763K Nikkaji
CONIINE rxnorm
ZINC000002031579 ZINC
DTXSID8041795 EPA CompTox Dashboard
16153827 PubChem: Thomson Pharma
441072 PubChem
70070514 NMRShiftDB
SCHEMBL335908 SureChEMBL
C479P32L2D FDA SRS
458-88-8 ACToR
MTBLC28322 Metabolights
CHEMBL2287063 ChEMBL
The data in this table is sourced from UniChem at EBI.