Spectrum CCMSLIB00004681473 for (-)-epicatechin gallate

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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
1257-08-5
107905
LSHVYAFMTMFKBA-TZIWHRDSSA-N
C22H18O10
442.08999677599996
O=C(OC1CC=2C(O)=CC(O)=CC2OC1C3=CC=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4
InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
442.09
1
f.joshkellogg/greentea-goldenseal/epicatechingallate_001.mzXML;
MS2
GNPS-LIBRARY
Cech, Kellogg, joshkellogg
positive
1.7950734537699957
0.3676318397161529
443.1
[M+H]+
4.5886346198565855 ppm
0.0020332240000584534 Da