Dataset

5-Methoxy-3-indoleacetic acid

This MassBank record with Accession MSBNK-Keio_Univ-KO003478 contains the MS2 mass spectrum of 5-Methoxy-3-indoleacetic acid with the InChIkey COCNDHOPIHDTHK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
SMILES	COC1=CC2=C(C=C1)NC=C2CC(=O)O
InChI Key	COCNDHOPIHDTHK-UHFFFAOYSA-N
Molecular Formula	C11H11NO3
Exact Mass	205.074 g/mol

Data and Resources

5-Methoxy-3-indoleacetic acidHTML
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-Keio_Univ-KO003478
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T17:26:00.835135
MetadataModified	2025-02-09T14:27:44.291891
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
20209617	NMRShiftDB
MCULE-9997753194	Mcule
18986	PubChem
SCHEMBL674415	SureChEMBL
CB8243986	ChemicalBook
108523	Brenda
MTBLC28281	Metabolights
HMDB0004096	Human Metabolome Database
28281	ChEBI
PD126571	ProbesDrugs
14748782	PubChem: Thomson Pharma
110885-75-1	ACToR
526933	eMolecules
J139.625K	Nikkaji
MXINAC	CCDC
DTXSID70188268	EPA CompTox Dashboard
HY-W007566	MedChemExpress
ZINC000000057162	ZINC
CHEMBL85433	ChEMBL
MYI	PDBe
C05660	KEGG Ligand
The data in this table is sourced from UniChem at EBI.