Spectrum VF-NPL-QEHF014018 for Androsterone

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
C19H30O2
290.2245802
O=C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
QGXBDMJGAMFCBF-HLUDHZFRSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C3_8_p7_E08_POS_QEHF_120.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.2219001131956397
0.5843732206454507
291.2318420410156
[M+H]+
2.431598754461602 ppm
-7.081589843664915E-4 Da