Spectrum CCMSLIB00000078244 for Progesterone (Prometrium)

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
57-83-0
C21H30O2
314.2245802
O=C1C=C2CCC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1
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
RJKFOVLPORLFTN-LEZSPFLNSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
314.225
1
Plate4_21_40_GH3_01_16504.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.05971226313582
0.697891470783154
315.232
[M+H]+
1.7453811794606888 ppm
-5.501999999637519E-4 Da