Dataset

Methoxytyramine

This MassBank record with Accession MSBNK-RIKEN-PR311158 contains the MS2 mass spectrum of Methoxytyramine with the InChIkey DIVQKHQLANKJQO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
SMILES	OC=1C=CC(=CC=1(OC))CCN
InChI Key	DIVQKHQLANKJQO-UHFFFAOYSA-N
Molecular Formula	C9H13NO2
Exact Mass	167.208 g/mol

Data and Resources

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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-RIKEN-PR311158
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:42:26.204144
MetadataModified	2024-01-11T20:42:26.383466
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1160785	ChEMBL
C05587	KEGG Ligand
J31.076J	Nikkaji
43349	Brenda
1582	ChEBI
HY-103638A	MedChemExpress
85380	BindingDB
ZINC000000119675	ZINC
SCHEMBL68386	SureChEMBL
MCULE-3695866663	Mcule
1669	PubChem
15147119	PubChem: Thomson Pharma
554-52-9	ACToR
PD046228	ProbesDrugs
MTBLC1582	Metabolights
60021651	NMRShiftDB
JCH2767EDP	FDA SRS
HMDB0000022	Human Metabolome Database
12348	Brenda
91498	Brenda
CB41119639	ChemicalBook
6642	Guide to Pharmacology
982283	eMolecules
The data in this table is sourced from UniChem at EBI.