Spectrum FiehnHILIC001884 for Dihydrocapsaicin

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  • Originally submitted to the Fiehn Lab HILIC 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
307.21474378799996
XJQPQKLURWNAAH-UHFFFAOYSA-N
C18H29NO3
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
M + 0
15 eV
0.9992833
positive
71
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.1782829529518843
0.27641835346306115
308.2242
[M+H]+
4.82185370269962 ppm
0.0014862120000316281 Da