Dataset

Chanoclavine-I

This MassBank record with Accession MSBNK-AAFC-AC000323 contains the MS2 mass spectrum of Chanoclavine-I with the InChIkey SAHHMCVYMGARBT-HEESEWQSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1
SMILES C/C(=C\[C@H]1[C@@H](CC2=CNC3=CC=CC1=C23)NC)/CO
InChI Key SAHHMCVYMGARBT-HEESEWQSSA-N
Molecular Formula C16H20N2O
Exact Mass 256.158 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-AAFC-AC000323
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:24:09.167871
MetadataModified 2024-01-11T09:24:09.344483
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
KALYAA CCDC
J10.335G Nikkaji
C09131 KEGG Ligand
32X6F73RE2 FDA SRS
5281381 PubChem
15231 Brenda
DTXSID50893242 EPA CompTox Dashboard
MTBLC3576 Metabolights
14823622 PubChem: Thomson Pharma
26675191 PubChem: Thomson Pharma
60033981 NMRShiftDB
3576 ChEBI
The data in this table is sourced from UniChem at EBI.