Dataset

Bis(2-butoxyethyl) hydrogen phosphate

This MassBank record with Accession MSBNK-Antwerp_Univ-AN119606 contains the MS2 mass spectrum of Bis(2-butoxyethyl) hydrogen phosphate with the InChIkey NNXWIPHZHATIFE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H27O6P/c1-3-5-7-15-9-11-17-19(13,14)18-12-10-16-8-6-4-2/h3-12H2,1-2H3,(H,13,14)
SMILES CCCCOCCOP(=O)(O)OCCOCCCC
InChI Key NNXWIPHZHATIFE-UHFFFAOYSA-N
Molecular Formula C12H27O6P
Exact Mass 298.154 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-AN119606
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:52.868359
MetadataModified 2025-02-08T18:50:36.636547
MetadataPublished 2021-08-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
84299 PubChem
SCHEMBL2520487 SureChEMBL
14260-97-0 ACToR
J181.873B Nikkaji
DTXSID3065740 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.