Spectrum CCMSLIB00000078681 for "NCGC00160261-01!10b-Methyl-3,4,5,6,10b,11-hexahydro-2H-4b-aza-chrysene-1,12-dione"

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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
C18H19NO2
281.14157884800005
O=C1C=2C(=O)CC3(C=4C=CC=CC4CCN3C2CCC1)C
InChI=1S/C18H19NO2/c1-18-11-16(21)17-14(7-4-8-15(17)20)19(18)10-9-12-5-2-3-6-13(12)18/h2-3,5-6H,4,7-11H2,1H3/t18-/m0/s1
RXSOQKYJSMUOPR-SFHVURJKSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Prestwick Phytochem Lib
qTOF
281.142
1
p1-A02_GA2_01_17875.mzXML
MS2
GNPS-PRESTWICKPHYTOCHEM
vphelan, Dorrestein, VVP/LMS
positive
4.913580091853419
0.649313550909713
282.149
[M+H]+
1.9452416987153556 ppm
-5.488480000508389E-4 Da