Spectrum VF-NPL-LTQ006892 for Xanthyletin

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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/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
C14H12O3
228.078644244
O=C1OC=2C=C3OC(C=CC3=CC2C=C1)(C)C
QOTBQNVNUBKJMS-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
NP_C2_95_p3_F08_POS_iTree_06.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.1169735714122055
0.6233948197820504
251.0768636728262
M-H
95610.1453461969 ppm
24.00549542882618 Da