Spectrum VF-NPL-QTOF007023 for Catechin Tetramethylether

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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
GKPNPQODFXMCGO-IFXJQAMLSA-N
C19H22O6
346.141638424
OC1CC=2C(OC)=CC(OC)=CC2OC1C3=CC=C(OC)C(OC)=C3
InChI=1S/C19H22O6/c1-21-12-8-16(23-3)13-10-14(20)19(25-17(13)9-12)11-5-6-15(22-2)18(7-11)24-4/h5-9,14,19-20H,10H2,1-4H3/t14-,19+/m0/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
NP_C3_41
5.2 minutes
1.4630659553087595
0.5887810535794497
347.1486
[M+H]+
2.9048770469466354 ppm
-0.0010084240000196587 Da