Dataset

L-Proline; LC-ESI-QFT; MS2; POSITIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA001P0116000 contains the MS2 mass spectrum of L-Proline with the InChIkey ONIBWKKTOPOVIA-BYPYZUCNSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
SMILES C1C[C@H](NC1)C(=O)O
InChI Key ONIBWKKTOPOVIA-BYPYZUCNSA-N
Molecular Formula C5H9NO2
Exact Mass 115.063 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-HSA001P0116000
Version
Author
Maintainer
Language
MetadataPublished 2023-12-15
Related Molecule
  • (2S)-pyrrolidine-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-1020921088 Mcule
    SCHEMBL7792 SureChEMBL
    ZINC000000895360 ZINC
    proline DailyMed
    60039 Rhea
    HMDB0000162 Human Metabolome Database
    145951 Brenda
    199526 Brenda
    107123 Brenda
    1089 Brenda
    243 Brenda
    107122 Brenda
    145039 Brenda
    816 Brenda
    MTBLC17203 Metabolights
    MTBLC60039 Metabolights
    6971047 PubChem
    145742 PubChem
    60018669 NMRShiftDB
    PD007581 ProbesDrugs
    9DLQ4CIU6V FDA SRS
    L-proline Atlas
    60039 ChEBI
    18875-45-1 ACToR
    37159-97-0 ACToR
    15146482 PubChem: Thomson Pharma
    15194368 PubChem: Thomson Pharma
    pro_L Recon
    524642 eMolecules
    PA451125 PharmGKB
    1625 Brenda
    CB8500061 ChemicalBook
    229590 Brenda
    50000100 BindingDB
    PROLINE rxnorm
    PROLINE clinicaltrials
    L-PROLINE clinicaltrials
    HY-Y0252 MedChemExpress
    MCULE-8415049837 Mcule
    DTXSID5044021 EPA CompTox Dashboard
    4125 DrugCentral
    3314 Guide to Pharmacology
    J9.117K Nikkaji
    PROLIN CCDC
    PROLINE DailyMed
    DB00172 DrugBank
    CHEMBL54922 ChEMBL
    PRO PDBe
    17203 ChEBI
    C00148 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.