Spectrum VF-NPL-LTQ006626 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
35
NP_C2_250_p2_G09_NEG_iTree_10.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
192.99962317425272
M-H
264.29909503628005 ppm
-0.05100962574729806 Da