Spectrum VF-NPL-LTQ007013 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
35
NP_C3_13_p7_C04_iTree_POS_100.RAW
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.7054844206490531
0.3937383520305867
289.2652400090144
M-H
7133.888167655734 ppm
2.0635858730144037 Da