Dataset

Sinapaldehyde; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309000 contains the MS2 mass spectrum of Sinapaldehyde with the InChIkey CDICDSOGTRCHMG-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3
SMILES	O=CC=CC=1C=C(OC)C(O)=C(OC)C=1
InChI Key	CDICDSOGTRCHMG-UHFFFAOYSA-N
Molecular Formula	C11H12O4
Exact Mass	208.213 g/mol

Data and Resources

SinapaldehydeHTML

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Related Molecule ⌄

3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal

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-PR309000
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
119216	PubChem
HMDB0258301	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.