Dataset

Triamylphosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN116407 contains the MS2 mass spectrum of Triamylphosphate with the InChIkey QJAVUVZBMMXBRO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H33O4P/c1-4-7-10-13-17-20(16,18-14-11-8-5-2)19-15-12-9-6-3/h4-15H2,1-3H3
SMILES CCCCCOP(=O)(OCCCCC)OCCCCC
InChI Key QJAVUVZBMMXBRO-UHFFFAOYSA-N
Molecular Formula C15H33O4P
Exact Mass 308.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN116407
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:40:42.870439
MetadataModified 2025-02-08T18:48:33.344279
MetadataPublished 2021-08-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000005328584 ZINC
20200191 NMRShiftDB
SCHEMBL56777 SureChEMBL
2528-38-3 ACToR
75665 PubChem
975974 eMolecules
J150.771K Nikkaji
CB5399532 ChemicalBook
DTXSID3052698 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.