Spectrum FiehnHILIC000260 for Cinnamaldehyde

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
KJPRLNWUNMBNBZ-QPJJXVBHSA-N
C9H8O
132.057514876
O=CC=CC=1C=CC=CC1
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
9.181167
1687
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.610317274877277
0.29350056861143803
133.0608
[M+H]+
35.20853624808279 ppm
-0.004684875999998894 Da