Dataset

1,2-BENZENEDICARBALDEHYDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002094 contains the MS mass spectrum of 1,2-BENZENEDICARBALDEHYDE with the InChIkey ZWLUXSQADUDCSB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H
SMILES	O=Cc(c1)c(C=O)ccc1
InChI Key	ZWLUXSQADUDCSB-UHFFFAOYSA-N
Molecular Formula	C8H6O2
Exact Mass	134.037 g/mol

Data and Resources

1,2-BENZENEDICARBALDEHYDEHTML
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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-JP002094
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:54:52.101274
MetadataModified	2024-01-11T15:54:52.267951
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL160145	ChEMBL
474534	eMolecules
20096876	NMRShiftDB
SCHEMBL33393	SureChEMBL
HMDB0255866	Human Metabolome Database
MCULE-5731001647	Mcule
J45.641A	Nikkaji
4807	PubChem
PD013852	ProbesDrugs
14818215	PubChem: Thomson Pharma
4P8QP9768A	FDA SRS
643-79-8	ACToR
70851	ChEBI
IHEMAJ	CCDC
ZINC000001729594	ZINC
DTXSID6032514	EPA CompTox Dashboard
O-PHTHALALDEHYDE	rxnorm
94540	Brenda
32387	Brenda
112009	Brenda
129761	Brenda
5587	Brenda
163938	Brenda
CB6731197	ChemicalBook
The data in this table is sourced from UniChem at EBI.