Dataset

Tricosanoic acid

This MassBank record with Accession MSBNK-BS-BS003912 contains the MS2 mass spectrum of Tricosanoic acid with the InChIkey XEZVDURJDFGERA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)
SMILES C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key XEZVDURJDFGERA-UHFFFAOYSA-N
Molecular Formula C23H46O2
Exact Mass 354.350 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-BS-BS003912
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:54.819431
MetadataModified 2024-01-11T12:35:54.972863
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
532672 eMolecules
DB03500 DrugBank
CHEMBL1173462 ChEMBL
F23 PDBe
14876464 PubChem: Thomson Pharma
2433-96-7 ACToR
PD006968 ProbesDrugs
60018625 NMRShiftDB
17085 PubChem
42394 ChEBI
MUC9A0MS6V FDA SRS
J97.994E Nikkaji
YIBVIP CCDC
SCHEMBL250860 SureChEMBL
HY-W009081 MedChemExpress
DTXSID40179067 EPA CompTox Dashboard
LMFA01010023 LipidMaps
ZINC000006920379 ZINC
MCULE-6888441916 Mcule
HMDB0001160 Human Metabolome Database
MTBLC42394 Metabolights
CB8351919 ChemicalBook
The data in this table is sourced from UniChem at EBI.