Spectrum VF-NPL-LTQ007186 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
35
NP_C3_8_p7_E08_iTree_POS_25.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.5458375877347452
0.8627483846371073
291.156540311616
M-H
6660.458698748515 ppm
1.939236111616026 Da