Spectrum MoNA002624 for Ferulic acid

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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/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+
KSEBMYQBYZTDHS-HWKANZROSA-N
C10H10O4
194.0579088
O=C(O)C=CC1=CC=C(O)C(OC)=C1

Mass Spectral Metadata

NameValue
Q Exactive Orbitrap Thermo Scientific
LC-ESI-ITFT
HCD (NCE 20-40-60%)
3.5 min
Kinetex F5 100A column (50 x 2.1 mm, 2.6µm) (guard column: AJ0-9322)
120-1700
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
negative
1.5646824247835434
0.6296745291888668
193.0499
[M-H]-
3.795909762235762 ppm
-7.328000000086377E-4 Da