Dataset

1-CARBOMETHOXY-4-FORMYLAZULENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005246 contains the MS mass spectrum of 1-CARBOMETHOXY-4-FORMYLAZULENE with the InChIkey JGADTJRHGIFPNG-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C13H10O3/c1-16-13(15)12-7-6-10-9(8-14)4-2-3-5-11(10)12/h2-8H,1H3
SMILES	COC(=O)C(C=2)=C(C=1)C(C2)=C(C=O)C=CC1
InChI Key	JGADTJRHGIFPNG-UHFFFAOYSA-N
Molecular Formula	C13H10O3
Exact Mass	214.063 g/mol

Data and Resources

1-CARBOMETHOXY-4-FORMYLAZULENEHTML

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Related Molecule ⌄

methyl 4-formylazulene-1-carboxylate

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-JP005246
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	methyl 4-formylazulene-1-carboxylate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
611787	pubchem
DTXSID701346319	comptox
The data in this table is sourced from UniChem at EBI.