Dataset

Imipramine

This MassBank record with Accession MSBNK-Waters-WA000797 contains the MS mass spectrum of Imipramine with the InChIkey BCGWQEUPMDMJNV-UHFFFAOYSA-N.

InChI	InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
SMILES	CN(C)CCCN(c21)c(c3)c(ccc3)CCc(cccc2)1
InChI Key	BCGWQEUPMDMJNV-UHFFFAOYSA-N
Molecular Formula	C19H24N2
Exact Mass	280.194 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-WA000797
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:30.334423
MetadataModified	2024-01-11T22:50:30.563941
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3696	PubChem
PD010016	ProbesDrugs
imipramine	Atlas
OGG85SX4E4	FDA SRS
LSM-2852	LINCS
50-49-7	ACToR
SCHEMBL34282	SureChEMBL
PA449969	PharmGKB
15222228	PubChem: Thomson Pharma
CB1727489	ChemicalBook
imipramine	DailyMed
75631	Brenda
HMDB0001848	Human Metabolome Database
CHEMBL11	ChEMBL
357	Guide to Pharmacology
C07049	KEGG Ligand
IXX	PDBe
DB00458	DrugBank
IMIPRAMINE	DailyMed
ZINC000000020245	ZINC
IMIPRAMINE	rxnorm
IMIPRAMINE HYDROCHLORIDE	rxnorm
MolPort-001-783-692	MolPort
TOFRANIL	rxnorm
TOFRANIL-PM	clinicaltrials
JANIMINE	clinicaltrials
IMIPRAMINE HYDROCHLORIDE	clinicaltrials
IMIPRAMINE	clinicaltrials
IMIPRAMINE PAMOATE	clinicaltrials
1618	Brenda
DTXSID1043881	EPA CompTox Dashboard
1427	DrugCentral
IMIPRAMINE PAMOATE	rxnorm
47499	ChEBI
MCULE-9471074673	Mcule
50010859	BindingDB
J8.587A	Nikkaji
20147315	NMRShiftDB
The data in this table is sourced from UniChem at EBI.