Spectrum CCMSLIB00004679366 for Cannabinol

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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
C21H26O2
310.193280072
OC1=CC(=CC=2OC(C3=CC=C(C=C3C12)C)(C)C)CCCCC
InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
VBGLYOIFKLUMQG-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
310.193
1
f.Francesca90/drug_RIS 2/180523_MIX60_INCLUSION (1).mzXML;
MS2
GNPS-LIBRARY
Manuel Sergi, 23.05.2018, Francesca90
positive
2.7104745331337656
0.6379845989485694
311.201
[M+H]+
0.803570682522305 ppm
-2.500719999716239E-4 Da