Dataset

Trimyristin

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105022_E2CE contains the MS2 mass spectrum of Trimyristin with the InChIkey DUXYWXYOBMKGIN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3
SMILES CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
InChI Key DUXYWXYOBMKGIN-UHFFFAOYSA-N
Molecular Formula C45H86O6
Exact Mass 722.642 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105022_E2CE
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:02.905421
MetadataModified 2024-01-11T09:36:03.070989
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
11148 PubChem
J6.470J Nikkaji
ZZZBPD CCDC
TRIMYRISTIN rxnorm
SCHEMBL112641 SureChEMBL
77391 ChEBI
HY-N2511 MedChemExpress
60032135 NMRShiftDB
PD076219 ProbesDrugs
18L31PSR28 FDA SRS
532882 eMolecules
14766520 PubChem: Thomson Pharma
555-45-3 ACToR
LMGL03012616 LipidMaps
47519 Brenda
SLM:000126375 SwissLipids
CB1222373 ChemicalBook
ZINC000085591205 ZINC
123226 Brenda
HMDB0042061 Human Metabolome Database
77391 Rhea
The data in this table is sourced from UniChem at EBI.