Dataset

Citric acid; GC-EI-TOF; MS; 4 TMS; BP:147

This MassBank record with Accession MSBNK-Kazusa-KZ000115 contains the MS mass spectrum of Citric acid with the InChIkey KRKNYBCHXYNGOX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O
InChI Key KRKNYBCHXYNGOX-UHFFFAOYSA-N
Molecular Formula C6H8O7
Exact Mass 192.027 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-Kazusa-KZ000115
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-hydroxypropane-1,2,3-tricarboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    311 PubChem
    10008628 NMRShiftDB
    SCHEMBL842 SureChEMBL
    MCULE-7981253226 Mcule
    ZINC000000895081 ZINC
    CB4127749 ChemicalBook
    CB9854361 ChemicalBook
    HMDB0000094 Human Metabolome Database
    1714 Brenda
    131 Brenda
    54493 Brenda
    110131 Brenda
    MTBLC30769 Metabolights
    19782904 PubChem
    PD008874 ProbesDrugs
    XF417D3PSL FDA SRS
    15322278 PubChem: Thomson Pharma
    12262-73-6 ACToR
    PA449021 PharmGKB
    77-92-9 ACToR
    475729 eMolecules
    C00158 KEGG Ligand
    DB04272 DrugBank
    CHEMBL1261 ChEMBL
    30769 ChEBI
    CIT PDBe
    CITRIC ACID rxnorm
    CITRIC ACID DailyMed
    CITRIC ACID MONOHYDRATE rxnorm
    CITRIC ACID MONOHYDRATE clinicaltrials
    ANHYDROUS CITRIC ACID clinicaltrials
    CITRIC ACID clinicaltrials
    CITRIC ACID, ANHYDROUS clinicaltrials
    E-330 clinicaltrials
    HY-N1428 MedChemExpress
    DTXSID3020332 EPA CompTox Dashboard
    666 DrugCentral
    J2.824J Nikkaji
    CITRAC CCDC
    88113319 PubChem
    14672 BindingDB
    CITRIC ACID, ANHYDROUS rxnorm
    2478 Guide to Pharmacology
    The data in this table is sourced from UniChem at EBI.