Dataset

2,4-DIACETOXYTROPONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011011 contains the MS mass spectrum of 2,4-DIACETOXYTROPONE with the InChIkey ZUSXPTRTFGWRGC-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C11H10O5/c1-7(12)15-9-4-3-5-10(14)11(6-9)16-8(2)13/h3-6H,1-2H3
SMILES	CC(=O)OC(=C1)C=C(OC(C)=O)C(=O)C=C1
InChI Key	ZUSXPTRTFGWRGC-UHFFFAOYSA-N
Molecular Formula	C11H10O5
Exact Mass	222.053 g/mol

Data and Resources

2,4-DIACETOXYTROPONEHTML

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Related Molecule ⌄

(6-acetyloxy-5-oxocyclohepta-1,3,6-trien-1-yl) 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-Fac_Eng_Univ_Tokyo-JP011011
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	(6-acetyloxy-5-oxocyclohepta-1,3,6-trien-1-yl) acetate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14019039	PubChem
J504.824I	Nikkaji
The data in this table is sourced from UniChem at EBI.