Dataset

Benzyl alcohol + Hex-Pen

This MassBank record with Accession MSBNK-RIKEN-PR309418 contains the MS2 mass spectrum of Benzyl alcohol + Hex-Pen with the InChIkey NJMQSVWMCODQIP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2
SMILES OCC3(O)(COC(OCC2OC(OCC1=CC=CC=C1)C(O)C(O)C2(O))C3(O))
InChI Key NJMQSVWMCODQIP-UHFFFAOYSA-N
Molecular Formula C18H26O10
Exact Mass 402.396 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-PR309418
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:57.408133
MetadataModified 2024-01-11T20:43:57.569775
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14079044 PubChem
60146951 NMRShiftDB
The data in this table is sourced from UniChem at EBI.