Spectrum FiehnHILIC000354 for Ferulic acid

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
KSEBMYQBYZTDHS-HWKANZROSA-N
C10H10O4
194.0579088
O=C(O)C=CC1=CC=C(O)C(OC)=C1
InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+

Mass Spectral Metadata

NameValue
M + 0
186
positive
HCD (NCE 20-30-40%)
1.417817
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
1.5586806655382706
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.49045131037557665
195.065
[M+H]+
4.505164945067056 ppm
-8.788000000095053E-4 Da