Spectrum CCMSLIB00000578415 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
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-VPRICQMDSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
432.106
1
f.TJLing/20160205 standards/YCF-10_P1-F-2_01_30585.mzXML;
MS2
GNPS-LIBRARY
TJLing, TJ Ling
positive
2.4880789862721895
0.7935205154045836
433.114
[M+H]+
0.8846631603055882 ppm
3.8316000001259454E-4 Da