Spectrum FFF00245 for Androsterone

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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
Natural Product; Steroid hormone
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
QGXBDMJGAMFCBF-LISVHTKMSA-N
C19H30O2
290.2245802
O=C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

Mass Spectral Metadata

NameValue
positive
FFF00245
2016.01.19 (Created 2011.04.05, modified 2011.06.20)
Atsushi Yamamoto, PFOS.jp
CC BY-SA
PFOS.jp
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
290.22458
API2000
LC-APPI-QQ
MS2
0.820867 min
3.1710078761580207
0.5660372401133893
273.3
[M-H2O+H]+
302.9264544456658 ppm
0.08278980000000047 Da