Spectrum CCMSLIB00004680007 for Lundurine A

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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
162616-56-0
InChI=1S/C21H22N2O4/c1-26-13-3-4-15-14(11-13)20-9-10-22-17(24)5-6-19(22)7-8-21(20,16(20)12-19)23(15)18(25)27-2/h3-6,11,16H,7-10,12H2,1-2H3/t16-,19+,20-,21+/m0/s1
C21H22N2O4
366.157957184
O=C(OC)N1C2=CC=C(OC)C=C2C34CCN5C(=O)C=CC56CCC14C3C6
KLGUGGCHIYKHRC-NASSWSRMSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Other
qTof
366.158
1
Lundurine_A.mgf
MS2
MIADB
Alexander Fox Ramos, Mehdi Beniddir, mwang87
positive
4.770305216347422
0.6976850982157113
367.165
[M+H]+
2.525251589821831 ppm
-9.271839999769327E-4 Da