Dataset

Cortisol; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105329_9CB7 contains the MS2 mass spectrum of Cortisol 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105329_9CB7
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MetadataPublished 2022-04-09
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    LMST02030001 lipidmaps
    HCY rcsb_pdb
    CHEMBL389621 chembl
    4148 surechembl
    5754 pubchem
    WI4X0X7BPJ fdasrs
    PD002713 probes_and_drugs
    CORTSL CCDC
    104298 brenda
    104299 brenda
    104335 brenda
    260015 brenda
    265566 brenda
    37893 brenda
    42964 brenda
    44238 brenda
    49654 brenda
    74692 brenda
    86867 brenda
    9182 brenda
    919 brenda
    HMDB0000063 hmdb
    377175 bindingdb
    50099568 bindingdb
    50376573 bindingdb
    50728176 bindingdb
    50754319 bindingdb
    50818092 bindingdb
    50818095 bindingdb
    50818122 bindingdb
    50818150 bindingdb
    50818205 bindingdb
    50911479 bindingdb
    50999507 bindingdb
    51001709 bindingdb
    51035926 bindingdb
    51158531 bindingdb
    51429943 bindingdb
    51429977 bindingdb
    51473873 bindingdb
    51473891 bindingdb
    636565 bindingdb
    636570 bindingdb
    SLM:000485329 swisslipids
    1388 drugcentral
    The data in this table is sourced from UniChem at EBI.