Dataset

Brucine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00426 contains the MS2 mass spectrum of Brucine with the InChIkey RRKTZKIUPZVBMF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3
SMILES COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
InChI Key RRKTZKIUPZVBMF-UHFFFAOYSA-N
Molecular Formula C23H26N2O4
Exact Mass 394.189 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-BML00426
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:29:09.895638
MetadataModified 2024-01-11T22:29:10.055937
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
220520 PubChem
29549654 eMolecules
MAJRIZ CCDC
SCHEMBL14029321 SureChEMBL
20042191 NMRShiftDB
HMDB0249406 Human Metabolome Database
MCULE-8830962238 Mcule
1970754 eMolecules
357-57-3 ACToR
PD055159 ProbesDrugs
The data in this table is sourced from UniChem at EBI.