Dataset

Phenylethanol + Hex-Pen

This MassBank record with Accession MSBNK-RIKEN-PR309419 contains the MS2 mass spectrum of Phenylethanol + Hex-Pen with the InChIkey GZSQKOFXMZDKPV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H28O10/c20-9-19(25)10-28-18(16(19)24)27-8-12-13(21)14(22)15(23)17(29-12)26-7-6-11-4-2-1-3-5-11/h1-5,12-18,20-25H,6-10H2
SMILES OCC3(O)(COC(OCC2OC(OCCC1=CC=CC=C1)C(O)C(O)C2(O))C3(O))
InChI Key GZSQKOFXMZDKPV-UHFFFAOYSA-N
Molecular Formula C19H28O10
Exact Mass 416.423 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-RIKEN-PR309419
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:14:19.437829
MetadataModified 2025-02-09T18:31:51.530409
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
80002770 NMRShiftDB
13893574 PubChem
HMDB0303758 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.