Spectrum CCMSLIB00000846116 for NCGC00169591-02!(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-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/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
C17H24O3
276.17254462799997
O=C(C=CCCCCC)CCC1=CC=C(O)C(OC)=C1
OQWKEEOHDMUXEO-BQYQJAHWSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
276.173
1
positive
C7_RC7_01_2929.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.2362809824737755
0.44589411064006285
294.207
[M+NH4]+
14.01947608316449 ppm
-0.004124627999999575 Da