Spectrum VF-NPL-QEHF013855 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
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
C19H22O6
346.14163842399995
OC1CC=2C(OC)=CC(OC)=CC2OC1C3=CC=C(OC)C(OC)=C3
GKPNPQODFXMCGO-IFXJQAMLSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C3_41_p4_F09_NEG_QEHF_20.raw
7
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.50478948609527
0.7253388449145489
345.1343688964844
[M-H]-
0.018753520363079274 ppm
6.472484415098734E-6 Da