Spectrum FiehnHILIC001813 for Capsaicin

Rating: (*)★(*)★(*)★(*)★(*)★
  • 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
YKPUWZUDDOIDPM-SOFGYWHQSA-N
C18H27NO3
305.199093724
OC1=CC=C(C=C1OC)CN=C(O)CCCCC=CC(C)C
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
35 eV
1.005733
69
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.6070875678154706
0.36174065327942617
306.2079
[M+H]+
2.7310725816437564 ppm
8.362759999727132E-4 Da