Spectrum VF-NPL-QEHF014181 for baicalein

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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/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
65HCD
MX_C4_37_p17_H02_NEG_QEHF_77.raw
77
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.5796459473398863
0.5256345184496642
269.0455322265625
[M-H]-
0.05647162160804815 ppm
-1.5193437491234363E-5 Da