Dataset

Undecanoic acid

This MassBank record with Accession MSBNK-BS-BS003885 contains the MS mass spectrum of Undecanoic acid with the InChIkey ZDPHROOEEOARMN-UHFFFAOYSA-N.

InChI	InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
SMILES	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]
InChI Key	ZDPHROOEEOARMN-UHFFFAOYSA-N
Molecular Formula	C11H22O2
Exact Mass	186.162 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003885
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:34:57.596885
MetadataModified	2025-02-09T08:51:09.848492
MetadataPublished	2017-12-01
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
8180	PubChem
60018536	NMRShiftDB
PD048355	ProbesDrugs
14794149	PubChem: Thomson Pharma
138ON3IIQG	FDA SRS
112-37-8	ACToR
DB16857	DrugBank
485127	eMolecules
SCHEMBL9266	SureChEMBL
16009	Brenda
HMDB0000947	Human Metabolome Database
137290	Brenda
MTBLC32368	Metabolights
8206	Brenda
CB1290921	ChemicalBook
11A	PDBe
C17715	KEGG Ligand
32368	ChEBI
CHEMBL108030	ChEMBL
HY-W004282	MedChemExpress
5533	Guide to Pharmacology
LMFA01010011	LipidMaps
DTXSID8021690	EPA CompTox Dashboard
ZINC000001586297	ZINC
ZZZNYY	CCDC
MCULE-5110587542	Mcule
50511006	BindingDB
J1.993C	Nikkaji
UNDECANOATE	clinicaltrials
The data in this table is sourced from UniChem at EBI.