Spectrum CCMSLIB00005467907 for 4'-O,N-dimethylnorbelladine

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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
InChI=1S/C17H21NO3/c1-18(10-9-13-3-6-15(19)7-4-13)12-14-5-8-17(21-2)16(20)11-14/h3-8,11,19-20H,9-10,12H2,1-2H3
C17H21NO3
287.152143532
OC1=CC=C(C=C1)CCN(C)CC2=CC=C(OC)C(O)=C2
FHNYYRUKKWUYDN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
287.152
1
f.pilepoga/TemoinsDianeCrinum/4-O,N-dimethylnorbelladine.mgf;
MS2
GNPS-LIBRARY
pilepoga, Le Pogam, Diane N'Tamon
positive
0.8678770152458732
0.39498785158230576
288.159
[M+H]+
3.864297141624941 ppm
-0.0011135320000335014 Da