Spectrum MoNA003266 for Genistein

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/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
TZBJGXHYKVUXJN-UHFFFAOYSA-N
C15H10O5
270.05282342
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3

Mass Spectral Metadata

NameValue
120-1700
Q Exactive Orbitrap Thermo Scientific
LC-ESI-QFT
7.07 min
Phenomenex Kinetex PFP, 100Å (2.6 µm, 2.1 mm X 150 mm)
40 C
C15H10O5
Stepped (NCE 20-30-40%)
West Coast Metabolomics Center, UC Davis
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
negative
0.2896360889512431
0.11655813669135352
269.0456
[M-H]-
0.195431555051472 ppm
5.257999998775631E-5 Da