Dataset

Vanillin acetate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR304108 contains the MS2 mass spectrum of Vanillin acetate with the InChIkey PZSJOBKRSVRODF-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3
SMILES	COC1=C(OC(C)=O)C=CC(C=O)=C1
InChI Key	PZSJOBKRSVRODF-UHFFFAOYSA-N
Molecular Formula	C10H10O4
Exact Mass	194.186 g/mol

Data and Resources

Vanillin acetateHTML

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Related Molecule ⌄

(4-formyl-2-methoxyphenyl) acetate

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-PR304108
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule	(4-formyl-2-methoxyphenyl) acetate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:86956	chebi
CHEMBL5201508	chembl
29738486	surechembl
81717	surechembl
61229	pubchem
873YNA60FY	fdasrs
PD056503	probes_and_drugs
HMDB0029663	hmdb
DTXSID4061256	comptox
FDB000839	foodb
Molport-000-871-234	molport
50600404	bindingdb
The data in this table is sourced from UniChem at EBI.