Spectrum MoNA002625 for Naringenin

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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/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
FTVWIRXFELQLPI-UHFFFAOYSA-N
C15H12O5
272.068473484
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C=C3)C1

Mass Spectral Metadata

NameValue
Q Exactive Orbitrap Thermo Scientific
LC-ESI-ITFT
HCD (NCE 20-40-60%)
5.72 min
Kinetex F5 100A column (50 x 2.1 mm, 2.6µm) (guard column: AJ0-9322)
West Coast Metabolomics Center, UC Davis
120-1700
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
negative
1.7697527593816318
0.5644254581592957
271.0612
[M-H]-
0.009282036658186244 ppm
2.5159999950119527E-6 Da