Dataset

Vanillic acid + O-sulfonateHex

This MassBank record with Accession MSBNK-RIKEN-PR308959 contains the MS2 mass spectrum of Vanillic acid + O-sulfonateHex with the InChIkey YHVRMRPNSSPKAB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H18O12S/c1-23-8-4-6(13(18)19)2-3-7(8)25-14-12(17)11(16)10(15)9(26-14)5-24-27(20,21)22/h2-4,9-12,14-17H,5H2,1H3,(H,18,19)(H,20,21,22)
SMILES O=C(O)C2=CC=C(OC1OC(COS(=O)(=O)O)C(O)C(O)C1(O))C(OC)=C2
InChI Key YHVRMRPNSSPKAB-UHFFFAOYSA-N
Molecular Formula C14H18O12S
Exact Mass 410.351 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-PR308959
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:57:02.003294
MetadataModified 2025-02-09T18:39:12.087965
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73830851 PubChem
The data in this table is sourced from UniChem at EBI.