Dataset

Sinapoyl malate-4'-methyl ester (NMR)

This MassBank record with Accession MSBNK-BS-BS001045 contains the MS2 mass spectrum of Sinapoyl malate-4'-methyl ester (NMR) with the InChIkey YAPSBOBZXRDEJO-SNAWJCMRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H18O9/c1-22-10-6-9(7-11(23-2)15(10)19)4-5-13(17)25-12(16(20)21)8-14(18)24-3/h4-7,12,19H,8H2,1-3H3,(H,20,21)/b5-4+
SMILES C1=C(OC)C(=C(OC)C=C1/C=C/C(OC(CC(OC)=O)C(O)=O)=O)O
InChI Key YAPSBOBZXRDEJO-SNAWJCMRSA-N
Molecular Formula C16H18O9
Exact Mass 354.095 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-BS-BS001045
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:46.749591
MetadataModified 2024-01-11T12:37:46.903461
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134780544 PubChem
The data in this table is sourced from UniChem at EBI.