Spectrum CCMSLIB00000848332 for NCGC00385537-01!(6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-2,6,10-trien-5-one

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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
n/a
n/a
InChI=1S/C20H28O2/c1-16(2)11-12-20(21)18(4)9-5-7-17(3)8-6-10-19-13-14-22-15-19/h8-9,11,13-15H,5-7,10,12H2,1-4H3/b17-8+,18-9+
C20H28O2
300.208930136
O=C(C(=CCCC(=CCCC1=COC=C1)C)C)CC=C(C)C
KICOQGUOSKQVSW-YPOGWSRFSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
300.209
1
positive
A11_RA11_01_2742.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
4.080898824743759
0.864872268926424
301.216
[M+H]+
2.9883405927450273 ppm
-9.001359999842862E-4 Da