Spectrum CCMSLIB00000081241 for Licarin 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
51020-86-1
InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+
C20H22O4
326.151809184
OC1=CC=C(C=C1OC)C2OC=3C(OC)=CC(C=CC)=CC3C2C
ITDOFWOJEDZPCF-AATRIKPKSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
Ion Trap
326.152
-1
f.rsilva/ion_trap_24_05/gnps_LicarinA_neg_MminusHminusCH3.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
0.6188870099553452
0.22853601816666858
310.1
[M-H]-
48515.10217349238 ppm
-15.044533183999988 Da