Dataset

Histidinol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01568 contains the MS2 mass spectrum of Histidinol with the InChIkey ZQISRDCJNBUVMM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)
SMILES C1=C(NC=N1)CC(CO)N
InChI Key ZQISRDCJNBUVMM-UHFFFAOYSA-N
Molecular Formula C6H11N3O
Exact Mass 141.090 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-BML01568
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:58.125410
MetadataModified 2024-01-11T22:27:58.287133
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID70880033 EPA CompTox Dashboard
PD044792 ProbesDrugs
CHEMBL2007999 ChEMBL
152232950 PubChem: Thomson Pharma
HMDB0253185 Human Metabolome Database
MCULE-7997190567 Mcule
J12.238F Nikkaji
20045930 NMRShiftDB
SCHEMBL65204 SureChEMBL
776 PubChem
The data in this table is sourced from UniChem at EBI.