Dataset

Tridecanoic acid

This MassBank record with Accession MSBNK-BS-BS003880 contains the MS mass spectrum of Tridecanoic acid with the InChIkey SZHOJFHSIKHZHA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
SMILES 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]
InChI Key SZHOJFHSIKHZHA-UHFFFAOYSA-N
Molecular Formula C13H26O2
Exact Mass 214.193 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-BS003880
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:46.819470
MetadataModified 2024-01-11T12:34:46.989622
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB02448 DrugBank
CHEMBL107874 ChEMBL
TDA PDBe
C17076 KEGG Ligand
12530 PubChem
60018530 NMRShiftDB
PD007999 ProbesDrugs
45919 ChEBI
14822523 PubChem: Thomson Pharma
638-53-9 ACToR
68002-90-4 ACToR
68990-37-4 ACToR
19936LIY2V FDA SRS
TRDECA CCDC
J1.715I Nikkaji
SCHEMBL22778 SureChEMBL
LMFA01010013 LipidMaps
ZINC000001628119 ZINC
HY-Y1718 MedChemExpress
50511038 BindingDB
DTXSID4021684 EPA CompTox Dashboard
CB7763238 ChemicalBook
MTBLC45919 Metabolights
HMDB0000910 Human Metabolome Database
30483 Brenda
137289 Brenda
532680 eMolecules
The data in this table is sourced from UniChem at EBI.