Dataset

ACETALDEHYDE HEXYL ISOAMYL ACETAL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008653 contains the MS mass spectrum of ACETALDEHYDE HEXYL ISOAMYL ACETAL with the InChIkey PUXHYFFHRDAFHP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H28O2/c1-5-6-7-8-10-14-13(4)15-11-9-12(2)3/h12-13H,5-11H2,1-4H3
SMILES CCCCCCOC(C)OCCC(C)C
InChI Key PUXHYFFHRDAFHP-UHFFFAOYSA-N
Molecular Formula C13H28O2
Exact Mass 216.209 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-Fac_Eng_Univ_Tokyo-JP008653
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:54:59.063943
MetadataModified 2024-01-11T15:54:59.256820
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL20269226 SureChEMBL
L3RBE1989V FDA SRS
J260.936C Nikkaji
173623 ChEBI
HMDB0032154 Human Metabolome Database
53422473 PubChem
The data in this table is sourced from UniChem at EBI.