Dataset

Sinapoyl malate-1'-methyl ester (NMR)

This MassBank record with Accession MSBNK-BS-BS001047 contains the MS2 mass spectrum of Sinapoyl malate-1'-methyl ester (NMR) with the InChIkey UBQMBIFYXNOHMG-SNAWJCMRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H18O9/c1-22-10-6-9(7-11(23-2)15(10)20)4-5-14(19)25-12(8-13(17)18)16(21)24-3/h4-7,12,20H,8H2,1-3H3,(H,17,18)/b5-4+
SMILES C1=C(OC)C(=C(OC)C=C1/C=C/C(OC(CC(=O)O)C(OC)=O)=O)O
InChI Key UBQMBIFYXNOHMG-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-BS001047
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:59.859487
MetadataModified 2024-01-11T12:37:00.042430
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134769574 PubChem
The data in this table is sourced from UniChem at EBI.