Dataset

Mirtazapine

This MassBank record with Accession MSBNK-Waters-WA001086 contains the MS mass spectrum of Mirtazapine with the InChIkey RONZAEMNMFQXRA-UHFFFAOYSA-N.

InChI	InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
SMILES	CN(C4)CC(c21)N(C4)c(n3)c(ccc3)Cc(cccc2)1
InChI Key	RONZAEMNMFQXRA-UHFFFAOYSA-N
Molecular Formula	C17H19N3
Exact Mass	265.158 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001086
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:49:22.639233
MetadataModified	2024-01-11T22:49:22.819031
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00370	DrugBank
C07570	KEGG Ligand
CHEMBL654	ChEMBL
6950	ChEBI
SAM001246659	NIH Clinical Collection
12013213	PubChem: Drugs of the Future
591516	eMolecules
PD000124	ProbesDrugs
LSM-1706	LINCS
85650-52-8	ACToR
61337-67-5	ACToR
14848184	PubChem: Thomson Pharma
PA450522	PharmGKB
mirtazapine-remeron-avanza	Selleck
SCHEMBL35408	SureChEMBL
7241	Guide to Pharmacology
4205	PubChem
MCULE-1174883554	Mcule
J22.953I	Nikkaji
1816	DrugCentral
A051Q2099Q	FDA SRS
DTXSID0023325	EPA CompTox Dashboard
HY-B0352	MedChemExpress
REMERON	clinicaltrials
ORG 3770	clinicaltrials
REXER	clinicaltrials
ORG-3770	clinicaltrials
ZISPIN	clinicaltrials
MIRTAZAPINE	clinicaltrials
AVANZA	clinicaltrials
50115644	BindingDB
MIRTAZAPINE	rxnorm
REMERON	rxnorm
MIRATAZ	rxnorm
MIRTAZAPINE	DailyMed
210369	Brenda
HMDB0014514	Human Metabolome Database
mirtazapine	DailyMed
CB0463388	ChemicalBook
CB7463387	ChemicalBook
The data in this table is sourced from UniChem at EBI.