Dataset

Dehydroabietylamine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00363 contains the MS2 mass spectrum of Dehydroabietylamine with the InChIkey JVVXZOOGOGPDRZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3
SMILES CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C
InChI Key JVVXZOOGOGPDRZ-UHFFFAOYSA-N
Molecular Formula C20H31N
Exact Mass 285.246 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-BML00363
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:11.907611
MetadataModified 2024-01-11T22:24:12.080832
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.112.566B Nikkaji
HMDB0244629 Human Metabolome Database
MCULE-3872988917 Mcule
SCHEMBL4943352 SureChEMBL
14775562 PubChem: Thomson Pharma
24978-68-5 ACToR
1446-61-3 ACToR
PD029247 ProbesDrugs
106831 PubChem
2026-24-6 ACToR
92342 BindingDB
CHEMBL1738979 ChEMBL
3219426 eMolecules
The data in this table is sourced from UniChem at EBI.