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
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Maintainer
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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
    CHEBI:18211 chebi
    20587 surechembl
    25244873 pubchem
    833 pubchem
    1OYO2NV4NM fdasrs
    4683 gtopdb
    722 gtopdb
    PD001552 probes_and_drugs
    FIFGOQ CCDC
    145802 brenda
    1464 brenda
    93273 brenda
    HMDB0250742 hmdb
    Molport-001-788-348 molport
    Molport-039-344-965 molport
    The data in this table is sourced from UniChem at EBI.