Spectrum CCMSLIB00000077226 for Baicalein

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
491-67-8
InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
C15H10O5
270.05282342
O=C1C=C(OC2=CC(O)=C(O)C(O)=C12)C=3C=CC=CC3
FXNFHKRTJBSTCS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Commercial
qTof
270.053
-1
f.rsilva/gnps_Baicalein_negMSMS_269.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
negative
2.949304916886005
0.7539078662864924
269.039
[M-H]-
24.336322986644937 ppm
-0.006547420000003967 Da