Spectrum VF-NPL-LTQ003896 for Scutellarein 4'-methyl ether

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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/C16H12O6/c1-21-9-4-2-8(3-5-9)12-6-10(17)14-13(22-12)7-11(18)15(19)16(14)20/h2-7,18-20H,1H3
C16H12O6
300.06338810399996
O=C1C=C(OC2=CC(O)=C(O)C(O)=C12)C=3C=CC(OC)=CC3
XVMMEYCPXZYLAI-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C4_60_p23_B05_iTree_NEG_17.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.682747478120208
0.9849964008634702
299.10304542824076
M-H
156.9135619251225 ppm
0.04693332424079699 Da