Spectrum VF-NPL-QTOF007475 for dihydrocapsaicin

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
XJQPQKLURWNAAH-UHFFFAOYSA-N
C18H29NO3
307.21474378799996
OC1=CC=C(C=C1OC)CN=C(O)CCCCCCC(C)C
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)

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
40 V
120_59
5.6417 minutes
1.5095072136293082
0.5885134570934484
308.222
[M+H]+
2.3158243084029073 ppm
-7.137879999845609E-4 Da