Spectrum VF-NPL-QEHF000570 for naringenin

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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/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
C15H12O5
272.068473484
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C=C3)C1
FTVWIRXFELQLPI-ZDUSSCGKSA-N

Mass Spectral Metadata

NameValue
45HCD
120_75_POS_QEHF_56.raw
11
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.319311956388786
0.6264841697377193
273.0757446289062
[M+H]+
2.5591987114686634 ppm
-6.988550937876425E-4 Da