Dataset

Heneicosanoic acid

This MassBank record with Accession MSBNK-BS-BS003935 contains the MS2 mass spectrum of Heneicosanoic acid with the InChIkey CKDDRHZIAZRDBW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
SMILES 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]
InChI Key CKDDRHZIAZRDBW-UHFFFAOYSA-N
Molecular Formula C21H42O2
Exact Mass 326.318 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-BS003935
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:23.685220
MetadataModified 2024-01-11T12:33:23.844597
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables