Spectrum CCMSLIB00000081772 for Vitexin

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
3681-93-4
InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14?,17?,18-,19-,21?/m1/s1
C21H20O10
432.10564683999996
O=C1C=C(OC=2C1=C(O)C=C(O)C2C3OC(CO)C(O)C(O)C3O)C=4C=CC(O)=CC4
SGEWCQFRYRRZDC-YJQKKJGLSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
432.106
1
gnps_vitexin_pos_MplusH.mgf
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
positive
2.4925022781883386
0.8989801690366899
433.1
[M+H]+
31.440406372524976 ppm
-0.013616839999940566 Da