Dataset

3-Hydroxyhexadecanoic acid (NMR)

This MassBank record with Accession MSBNK-BS-BS001135 contains the MS mass spectrum of 3-Hydroxyhexadecanoic acid (NMR) with the InChIkey CBWALJHXHCJYTE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
SMILES C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])(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]
InChI Key CBWALJHXHCJYTE-UHFFFAOYSA-N
Molecular Formula C16H32O3
Exact Mass 272.235 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-BS001135
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:38:34.162576
MetadataModified 2024-01-11T12:38:34.327749
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
539169 eMolecules
55681 Brenda
MTBLC37248 Metabolights
PD044275 ProbesDrugs
60020538 NMRShiftDB
14775044 PubChem: Thomson Pharma
SCHEMBL310976 SureChEMBL
301590 PubChem
37248 ChEBI
CB7215106 ChemicalBook
J297.076G Nikkaji
LMFA01050188 LipidMaps
The data in this table is sourced from UniChem at EBI.