Spectrum VF-NPL-QEHF013670 for Epitestosterone

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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/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
C19H28O2
288.208930136
O=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1
MUMGGOZAMZWBJJ-KZYORJDKSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C3_13_p7_C04_POS_QEHF_138.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.7050216666678173
0.6447773501583293
289.2161865234375
[M+H]+
2.4674018804775364 ppm
-7.136125624924716E-4 Da