Dataset

Citrulline; LC-ESI-QFT; MS2; POSITIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA001P0176000 contains the MS2 mass spectrum of Citrulline with the InChIkey RHGKLRLOHDJJDR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
SMILES C(CC(C(=O)O)N)CNC(=O)N
InChI Key RHGKLRLOHDJJDR-UHFFFAOYSA-N
Molecular Formula C6H13N3O3
Exact Mass 175.096 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-SMB_Measured-HSA001P0176000
Version
Author
Maintainer
Language
MetadataPublished 2023-12-15
Related Molecule
  • 2-amino-5-(carbamoylamino)pentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    18211 ChEBI
    FIFGOQ CCDC
    HY-W016734 MedChemExpress
    HMDB0250742 Human Metabolome Database
    J3.054.119G Nikkaji
    1OYO2NV4NM FDA SRS
    CB7478532 ChemicalBook
    16935971 PubChem: Thomson Pharma
    PD001552 ProbesDrugs
    833 PubChem
    145802 Brenda
    372-75-8 ACToR
    25244873 PubChem
    884088 eMolecules
    MCULE-9892421890 Mcule
    10009014 NMRShiftDB
    SCHEMBL20587 SureChEMBL
    LSM-45926 LINCS
    MTBLC18211 Metabolights
    93273 Brenda
    1464 Brenda
    The data in this table is sourced from UniChem at EBI.