Spectrum FiehnHILIC000788 for Testosterone

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC 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
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
C19H28O2
288.208930136
O=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1
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

Mass Spectral Metadata

NameValue
M + 0
99
positive
HCD (NCE 20-30-40%)
1.05385
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.9655876041046119
0.519421010640364
289.2159
[M+H]+
3.458094800514175 ppm
-0.0010001360000160275 Da