Dataset

Myristic acid

This MassBank record with Accession MSBNK-BS-BS003877 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-BS003877
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:36.554248
MetadataModified 2024-01-11T12:34:36.722839
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
480439 eMolecules
60016322 NMRShiftDB
45184-05-2 ACToR
14892448 PubChem: Thomson Pharma
0I3V7S25AW FDA SRS
PD004622 ProbesDrugs
544-63-8 ACToR
67701-02-4 ACToR
11005 PubChem
2806 Guide to Pharmacology
MCULE-9671122893 Mcule
J4.411C Nikkaji
ZZZOEG CCDC
SCHEMBL6374 SureChEMBL
137288 Brenda
876 Brenda
2414 Brenda
4568 Brenda
MTBLC28875 Metabolights
HMDB0000806 Human Metabolome Database
CB1104862 ChemicalBook
4284 Brenda
HY-N2041 MedChemExpress
MYRISTIC ACID clinicaltrials
MYRISTIC ACID rxnorm
30197 Brenda
50147581 BindingDB
ZINC000001530417 ZINC
LMFA01010014 LipidMaps
DTXSID6021666 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.