Dataset

Hydrocortisone; LC-ESI-Q; MS; NEG; 75 V

This MassBank record with Accession MSBNK-Waters-WA002946 contains the MS mass spectrum of Hydrocortisone with the InChIkey JYGXADMDTFJGBT-VWUMJDOOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI Key JYGXADMDTFJGBT-VWUMJDOOSA-N
Molecular Formula C21H30O5
Exact Mass 362.209 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002946
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL389621 ChEMBL
    DB00741 DrugBank
    HCY PDBe
    SAM002264617 NIH Clinical Collection
    17650 ChEBI
    12013447 PubChem: Drugs of the Future
    919 Brenda
    HYDROCORTISONE DailyMed
    13775 BindingDB
    ANUSOL HC rxnorm
    ANUCORT-HC rxnorm
    CORTENEMA rxnorm
    CORTEF rxnorm
    ALA-SCALP rxnorm
    ALA-CORT rxnorm
    CIPRO HC rxnorm
    COLOCORT rxnorm
    U-CORT rxnorm
    DERMACORT rxnorm
    HYDROCORTISONE rxnorm
    BETA-HC rxnorm
    PROCTOCORT rxnorm
    BETA-HC clinicaltrials
    DERMACORT clinicaltrials
    ALA-CORT clinicaltrials
    PENECORT clinicaltrials
    ALA-SCALP clinicaltrials
    TEXACORT clinicaltrials
    CETACORT clinicaltrials
    NOGENIC HC clinicaltrials
    PROCTOCORT clinicaltrials
    ANUSOL HC clinicaltrials
    PLENADREN clinicaltrials
    AEROSEB-HC clinicaltrials
    CORT-DOME clinicaltrials
    CORTEF clinicaltrials
    CORTENEMA clinicaltrials
    CORTRIL clinicaltrials
    HYTONE clinicaltrials
    HYDROCORTONE clinicaltrials
    COLOCORT clinicaltrials
    SYNACORT clinicaltrials
    HYDROCORTISONE clinicaltrials
    ELDECORT clinicaltrials
    NUTRACORT clinicaltrials
    NSC-10483 clinicaltrials
    HY-N0583 MedChemExpress
    DTXSID7020714 EPA CompTox Dashboard
    LMST02030001 LipidMaps
    1388 DrugCentral
    2868 Guide to Pharmacology
    J1.908I Nikkaji
    CORTSL CCDC
    TEXACORT rxnorm
    29549844 eMolecules
    494777 eMolecules
    29539208 eMolecules
    5754 PubChem
    60020809 NMRShiftDB
    PD002713 ProbesDrugs
    260015 Brenda
    cortisol Atlas
    hydrocortisone Atlas
    14828390 PubChem: Thomson Pharma
    LSM-5980 LINCS
    crtsl Recon
    Hydrocortisone Selleck
    PA449905 PharmGKB
    14852592 PubChem: Thomson Pharma
    WI4X0X7BPJ FDA SRS
    49654 Brenda
    104298 Brenda
    37893 Brenda
    42964 Brenda
    86867 Brenda
    9182 Brenda
    104335 Brenda
    17650 Rhea
    CB9756715 ChemicalBook
    HMDB0000063 Human Metabolome Database
    hydrocortisone DailyMed
    ZINC000013540519 ZINC
    MTBLC17650 Metabolights
    44238 Brenda
    74692 Brenda
    104299 Brenda
    MCULE-8953627920 Mcule
    SCHEMBL4148 SureChEMBL
    The data in this table is sourced from UniChem at EBI.