Dataset

3-FORMYLINDOLE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000428 contains the MS mass spectrum of 3-FORMYLINDOLE with the InChIkey OLNJUISKUQQNIM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
SMILES	C1=CC=C2C(=C1)C(=CN2)C=O
InChI Key	OLNJUISKUQQNIM-UHFFFAOYSA-N
Molecular Formula	C9H7NO
Exact Mass	145.053 g/mol

Data and Resources

3-FORMYLINDOLEHTML
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-JP000428
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:11:08.080696
MetadataModified	2025-02-09T12:09:10.277180
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
91481	Brenda
4533	Brenda
123807	Brenda
132162	Brenda
SCHEMBL19180195	SureChEMBL
95883	Brenda
175722	Brenda
HMDB0029737	Human Metabolome Database
CB0174846	ChemicalBook
106305	Brenda
MTBLC28238	Metabolights
57359	Brenda
20200053	NMRShiftDB
MCULE-6521465109	Mcule
7FN04C32UO	FDA SRS
10256	PubChem
PD124928	ProbesDrugs
14967710	PubChem: Thomson Pharma
SCHEMBL56373	SureChEMBL
246045-99-8	ACToR
480363	eMolecules
DTXSID5060069	EPA CompTox Dashboard
28238	ChEBI
ZINC000000087959	ZINC
J26.057F	Nikkaji
COMWOQ	CCDC
50182880	BindingDB
HY-W007376	MedChemExpress
28238	Rhea
C08493	KEGG Ligand
CHEMBL147741	ChEMBL
I3A	PDBe
The data in this table is sourced from UniChem at EBI.