Spectrum VF-NPL-QEHF011288 for Ferulic Acid

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  • Originally submitted to the Vaniya/Fiehn Natural Products 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
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+
C10H10O4
194.0579088
O=C(O)C=CC1=CC=C(O)C(OC)=C1
KSEBMYQBYZTDHS-HWKANZROSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C2_250_p2_G09_POS_QEHF_2236.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.278681712819841
0.7314830127895057
212.09173583984378
[M+NH4]+
22.409926239717826 ppm
-0.004752960156224617 Da