Dataset

ORTHO-METHOXYBENZALDEHYDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004048 contains the MS mass spectrum of ORTHO-METHOXYBENZALDEHYDE with the InChIkey PKZJLOCLABXVMC-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3
SMILES	O=Cc(c1)c(OC)ccc1
InChI Key	PKZJLOCLABXVMC-UHFFFAOYSA-N
Molecular Formula	C8H8O2
Exact Mass	136.052 g/mol

Data and Resources

ORTHO-METHOXYBENZALDEHYDEHTML
Explore
- More information
- Go to resource

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-JP004048
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:05.690941
MetadataModified	2024-01-11T15:57:05.861508
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000001090557	ZINC
DTXSID1051690	EPA CompTox Dashboard
172139	ChEBI
O-ANISALDEHYDE	rxnorm
HY-77995	MedChemExpress
3308	Brenda
120833	Brenda
16705	Brenda
124472	Brenda
CB9238718	ChemicalBook
HMDB0033766	Human Metabolome Database
MCULE-4690415185	Mcule
NARZUC	CCDC
J5.602B	Nikkaji
10024795	NMRShiftDB
8658	PubChem
14747721	PubChem: Thomson Pharma
PD157976	ProbesDrugs
135-02-4	ACToR
SCHEMBL66490	SureChEMBL
7CP821WF2W	FDA SRS
CHEMBL396295	ChEMBL
478508	eMolecules
The data in this table is sourced from UniChem at EBI.