Spectrum MoNA003267 for Quercetin

Rating: (*)★(*)★(*)★(*)★(*)★

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/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
REFJWTPEDVJJIY-UHFFFAOYSA-N
C15H10O7
302.04265266
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(O)C3

Mass Spectral Metadata

NameValue
Q Exactive Orbitrap Thermo Scientific
LC-ESI-QFT
Stepped (NCE 20-30-40%)
6.6 min
Phenomenex Kinetex PFP, 100Å (2.6 µm, 2.1 mm X 150 mm)
120-1700
40C
C15H10O7
West Coast Metabolomics Center, UC Davis
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
negative
1.6891294166842297
0.5184405670526797
301.0351
[M-H]-
0.9190290434479703 ppm
-2.766599999972641E-4 Da