Dataset

Tricosanoic acid

This MassBank record with Accession MSBNK-BS-BS003915 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-BS003915
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:48.166981
MetadataModified 2024-01-11T12:35:48.366757
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-W009081 MedChemExpress
DTXSID40179067 EPA CompTox Dashboard
LMFA01010023 LipidMaps
ZINC000006920379 ZINC
SCHEMBL250860 SureChEMBL
J97.994E Nikkaji
YIBVIP CCDC
DB03500 DrugBank
CHEMBL1173462 ChEMBL
F23 PDBe
MTBLC42394 Metabolights
HMDB0001160 Human Metabolome Database
CB8351919 ChemicalBook
MCULE-6888441916 Mcule
60018625 NMRShiftDB
2433-96-7 ACToR
PD006968 ProbesDrugs
14876464 PubChem: Thomson Pharma
532672 eMolecules
42394 ChEBI
17085 PubChem
MUC9A0MS6V FDA SRS
The data in this table is sourced from UniChem at EBI.