Spectrum MoNA001267 for 8-prenylapigenin

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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/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
MEHHCBRCXIDGKZ-UHFFFAOYSA-N
C20H18O5
338.115423676
O=C1C=C(OC=2C1=C(O)C=C(O)C2CC=C(C)C)C=3C=CC(O)=CC3

Mass Spectral Metadata

NameValue
Q-TOF SYNAPT, Waters
YMA AQ C18 2.0 x 100mm 3um
0.1% formic acid in water
Acetonitrile
10-95%B over 30 min
30 C
0.2 ml/min
18.9min
25 eV
Argon
License CC-BY-NC-SA 4.0 International
Copyright (C) 2018 UIC/NIH Center for Botanical Dietary Supplements Research
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Dejan Nikolic
negative
1.3642758786684819
0.6209087103524239
337.1079
[M-H]
0.7347083827313525 ppm
-2.476760000149625E-4 Da