Dataset

PHENYLETHYL HEXANOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006999 contains the MS mass spectrum of PHENYLETHYL HEXANOATE with the InChIkey BUYNWUMUDHPPDS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
SMILES CCCCCC(=O)OCCc(c1)cccc1
InChI Key BUYNWUMUDHPPDS-UHFFFAOYSA-N
Molecular Formula C14H20O2
Exact Mass 220.146 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-JP006999
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:21.537088
MetadataModified 2024-01-11T15:56:21.701748
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9993827294 Mcule
DTXSID5047584 EPA CompTox Dashboard
CB8153298 ChemicalBook
ZINC000001850820 ZINC
CHEMBL3185758 ChEMBL
J155.068C Nikkaji
HMDB0037718 Human Metabolome Database
61384 PubChem
595885 eMolecules
SCHEMBL473563 SureChEMBL
6290-37-5 ACToR
X7R57M68KR FDA SRS
The data in this table is sourced from UniChem at EBI.