Dataset

Histidine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01070 contains the MS2 mass spectrum of Histidine with the InChIkey HNDVDQJCIGZPNO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
SMILES	C1=C(NC=N1)CC(C(=O)O)N
InChI Key	HNDVDQJCIGZPNO-UHFFFAOYSA-N
Molecular Formula	C6H9N3O2
Exact Mass	155.069 g/mol

Data and Resources

HistidineHTML
Explore
- More information
- Go to resource

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-BML01070
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:27:59.339757
MetadataModified	2024-01-11T22:27:59.527820
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
27570	ChEBI
C00768	KEGG Ligand
712832	eMolecules
27520527	eMolecules
518165	eMolecules
773	PubChem
3651426	PubChem
PD094120	ProbesDrugs
15120226	PubChem: Thomson Pharma
184709-11-3	ACToR
96185-91-0	ACToR
57644999	PubChem: Thomson Pharma
SCHEMBL3258	SureChEMBL
20025081	NMRShiftDB
MCULE-6787534916	Mcule
J1.290D	Nikkaji
HMDB0250763	Human Metabolome Database
10016969	NMRShiftDB
ADAVUW	CCDC
MTBLC27570	Metabolights
CB2177472	ChemicalBook
6510	Brenda
15741	Brenda
QU6SDF3Q03	FDA SRS
81938	BindingDB
The data in this table is sourced from UniChem at EBI.