Dataset

1-Methylhistamine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80180 contains the MS mass spectrum of 1-Methylhistamine with the InChIkey FHQDWPCFSJMNCT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H11N3/c1-9-4-6(2-3-7)8-5-9/h4-5H,2-3,7H2,1H3
SMILES CN1C=C(N=C1)CCN
InChI Key FHQDWPCFSJMNCT-UHFFFAOYSA-N
Molecular Formula C6H11N3
Exact Mass 125.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80180
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:46.655038
MetadataModified 2024-01-11T22:28:46.847692
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
29009 ChEBI
CHEMBL507 ChEMBL
1241 Guide to Pharmacology
C05127 KEGG Ligand
1242 Guide to Pharmacology
3614 PubChem
J86.801I Nikkaji
KCB81T4EOF FDA SRS
60020907 NMRShiftDB
PD048482 ProbesDrugs
15119885 PubChem: Thomson Pharma
SCHEMBL196356 SureChEMBL
501-75-7 ACToR
ZINC000000403051 ZINC
HY-W062542 MedChemExpress
DTXSID30198207 EPA CompTox Dashboard
MCULE-7688329107 Mcule
1987103 eMolecules
50198912 BindingDB
125115 Brenda
44529 Brenda
7967 Brenda
45775 Brenda
MTBLC29009 Metabolights
49539 Brenda
8141 Brenda
HMDB0000898 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.