Spectrum VF-NPL-LTQ000214 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
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
35
120_59_iTree_POS_07152014_52.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.6048169931575182
0.7303836893646529
637.0887545072115
M-H
519364.50671641243 ppm
330.8812867192115 Da