Dataset

Myristic acid

This MassBank record with Accession MSBNK-BS-BS003876 contains the MS2 mass spectrum of Myristic acid with the InChIkey TUNFSRHWOTWDNC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
SMILES 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]
InChI Key TUNFSRHWOTWDNC-UHFFFAOYSA-N
Molecular Formula C14H28O2
Exact Mass 228.209 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-BS003876
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:23.274989
MetadataModified 2024-01-11T12:33:23.451677
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB08231 DrugBank
C06424 KEGG Ligand
CHEMBL111077 ChEMBL
28875 ChEBI
MYR PDBe
30197 Brenda
DTXSID6021666 EPA CompTox Dashboard
ZINC000001530417 ZINC
HY-N2041 MedChemExpress
MYRISTIC ACID clinicaltrials
MYRISTIC ACID rxnorm
ZZZOEG CCDC
J4.411C Nikkaji
2806 Guide to Pharmacology
50147581 BindingDB
LMFA01010014 LipidMaps
SCHEMBL6374 SureChEMBL
14892448 PubChem: Thomson Pharma
PD004622 ProbesDrugs
0I3V7S25AW FDA SRS
67701-02-4 ACToR
544-63-8 ACToR
45184-05-2 ACToR
HMDB0000806 Human Metabolome Database
876 Brenda
137288 Brenda
2414 Brenda
4284 Brenda
4568 Brenda
MTBLC28875 Metabolights
CB1104862 ChemicalBook
480439 eMolecules
60016322 NMRShiftDB
11005 PubChem
MCULE-9671122893 Mcule
The data in this table is sourced from UniChem at EBI.