Dataset

1-Methylhistamine

This MassBank record with Accession MSBNK-RIKEN-PR010124 contains the MS mass spectrum of 1-Methylhistamine with the InChIkey FHQDWPCFSJMNCT-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
SMILES	NCCc(n1)cn(C)c1
InChI Key	FHQDWPCFSJMNCT-UHFFFAOYSA-N
Molecular Formula	C6H11N3
Exact Mass	125.095 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR010124
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:03:50.293031
MetadataModified	2025-02-09T18:40:01.035497
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-7688329107	Mcule
DTXSID30198207	EPA CompTox Dashboard
J86.801I	Nikkaji
HY-W062542	MedChemExpress
ZINC000000403051	ZINC
8141	Brenda
1987103	eMolecules
29009	ChEBI
CHEMBL507	ChEMBL
1241	Guide to Pharmacology
1242	Guide to Pharmacology
C05127	KEGG Ligand
3614	PubChem
KCB81T4EOF	FDA SRS
HMDB0000898	Human Metabolome Database
50198912	BindingDB
MTBLC29009	Metabolights
49539	Brenda
125115	Brenda
44529	Brenda
7967	Brenda
45775	Brenda
60020907	NMRShiftDB
PD048482	ProbesDrugs
15119885	PubChem: Thomson Pharma
SCHEMBL196356	SureChEMBL
501-75-7	ACToR
The data in this table is sourced from UniChem at EBI.