Spectrum CCMSLIB00003142411 for Dihydrocapsaicin

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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
19408-84-5
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)
C18H29NO3
307.214743788
OC1=CC=C(C=C1OC)CN=C(O)CCCCCCC(C)C
XJQPQKLURWNAAH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Other
Orbitrap
0.0
1
f.alan_jarmusch/Annotations/dihydrocapsaicin.mzXML;
MS2
GNPS-LIBRARY
Dorrestein, alan_jarmusch
positive
0.6474160498355073
0.17550479973355912
308.221
[M+H]+
5.560257088315713 ppm
-0.0017137880000177574 Da