Spectrum CCMSLIB00000579282 for trans-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
537-98-4
445858
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
LC-ESI
Commercial
qTof
194.058
0
f.cristopher/NTayler/trans-Ferrulic Acid 527.mgf;
MS2
GNPS-LIBRARY
Cristopher Boya/Nicole Tayler, cristopher, Marcelino Gutierrez/Carmenza Spadafora
positive
5.976244225534811
0.8748871696719744
195.063
[M+H]+
14.758308854160221 ppm
-0.002878800000019055 Da