Spectrum CCMSLIB00005720277 for Daidzin

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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
552-66-9
C21H20O9
416.11073222
O=C1C(=COC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C12)C=4C=CC(O)=CC4
InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2
KYQZWONCHDNPDP-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Ion Trap
416.111
1
f.tsmoe/4GNPS/20200326-Daidzin.mzXML;
MS2
GNPS-LIBRARY
tsmoe, Moe, Zhang
positive
0.0025974548023769196
0.0037473351623224043
417.731
[M+H]+
1465.7705078148517 ppm
0.6122977800000058 Da