Spectrum CCMSLIB00000424772 for Narcotine

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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
128-62-1
InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
C22H23NO7
413.14745207600004
O=C1OC(C2=CC=C(OC)C(OC)=C12)C3C4=C(OC)C=5OCOC5C=C4CCN3C
AKNNEGZIBPJZJG-MSOLQXFVSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
413.147
1
f.10mauriz/5_br_pos_Na_25eV.mgf;
MS2
GNPS-LIBRARY
Lucas Marques, 10mauriz, Norberto Lopes
positive
0.726262709576356
0.2135314796759703
436.136
[M+Na]+
2.802052570833896 ppm
-0.001222076000033212 Da