Dataset

Progesterone; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF415104 contains the MS2 mass spectrum of Progesterone with the InChIkey RJKFOVLPORLFTN-LEKSSAKUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key RJKFOVLPORLFTN-LEKSSAKUSA-N
Molecular Formula C21H30O2
Exact Mass 314.225 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-UFZ-UF415104
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00396 drugbank
    CHEBI:17026 chebi
    LMST02030159 lipidmaps
    STR rcsb_pdb
    CHEMBL103 chembl
    7671 surechembl
    5994 pubchem
    4G7DS2Q64Y fdasrs
    PD002656 probes_and_drugs
    PROGST CCDC
    11588 brenda
    127076 brenda
    13473 brenda
    189624 brenda
    189703 brenda
    20023 brenda
    229814 brenda
    229815 brenda
    286 brenda
    34377 brenda
    5917 brenda
    67652 brenda
    94795 brenda
    94796 brenda
    HMDB0001830 hmdb
    126738 bindingdb
    377170 bindingdb
    50008628 bindingdb
    50008637 bindingdb
    50013533 bindingdb
    50013547 bindingdb
    50013551 bindingdb
    50019072 bindingdb
    50020255 bindingdb
    50020258 bindingdb
    50020259 bindingdb
    50024447 bindingdb
    50033678 bindingdb
    50039388 bindingdb
    50043071 bindingdb
    50046377 bindingdb
    50046379 bindingdb
    50052948 bindingdb
    50054680 bindingdb
    50054706 bindingdb
    50054715 bindingdb
    50055273 bindingdb
    50055319 bindingdb
    50055328 bindingdb
    50055346 bindingdb
    50077830 bindingdb
    50083309 bindingdb
    50085928 bindingdb
    50106591 bindingdb
    50106598 bindingdb
    50106601 bindingdb
    50106605 bindingdb
    50116763 bindingdb
    50116782 bindingdb
    50116812 bindingdb
    50116839 bindingdb
    50243267 bindingdb
    50243269 bindingdb
    50243286 bindingdb
    50243292 bindingdb
    50243328 bindingdb
    50243334 bindingdb
    50243340 bindingdb
    50243347 bindingdb
    50243481 bindingdb
    50418494 bindingdb
    50418502 bindingdb
    50418513 bindingdb
    50574951 bindingdb
    50587978 bindingdb
    50606100 bindingdb
    50623943 bindingdb
    50627414 bindingdb
    50641226 bindingdb
    50641232 bindingdb
    50698929 bindingdb
    50728397 bindingdb
    50728441 bindingdb
    50738036 bindingdb
    50738069 bindingdb
    50738083 bindingdb
    50739645 bindingdb
    50740666 bindingdb
    50740667 bindingdb
    50754165 bindingdb
    50774421 bindingdb
    50780258 bindingdb
    50780311 bindingdb
    50780322 bindingdb
    50780324 bindingdb
    50786022 bindingdb
    50788508 bindingdb
    50793864 bindingdb
    50793865 bindingdb
    50793878 bindingdb
    50793894 bindingdb
    50793946 bindingdb
    50819712 bindingdb
    50828336 bindingdb
    50828343 bindingdb
    50829409 bindingdb
    50829457 bindingdb
    50829477 bindingdb
    50863934 bindingdb
    50864731 bindingdb
    50874438 bindingdb
    50874446 bindingdb
    50875077 bindingdb
    50909938 bindingdb
    50914049 bindingdb
    50914050 bindingdb
    50914130 bindingdb
    50914178 bindingdb
    50923757 bindingdb
    50986482 bindingdb
    50998574 bindingdb
    51001728 bindingdb
    51007132 bindingdb
    51026559 bindingdb
    51026591 bindingdb
    51026592 bindingdb
    51026620 bindingdb
    51026624 bindingdb
    51026725 bindingdb
    51026727 bindingdb
    51026728 bindingdb
    51035027 bindingdb
    51035049 bindingdb
    51035936 bindingdb
    51059104 bindingdb
    51100107 bindingdb
    51153774 bindingdb
    51158543 bindingdb
    51161723 bindingdb
    51180467 bindingdb
    51180476 bindingdb
    51252560 bindingdb
    51360768 bindingdb
    51454606 bindingdb
    Molport-001-794-643 molport
    2279 drugcentral
    The data in this table is sourced from UniChem at EBI.