Spectrum VF-NPL-QEHF023684 for 2-methoxy-5-methyl-3-(2-methylbut-3-en-2-yl)chromen-4-one

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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/C16H18O3/c1-6-16(3,4)13-14(17)12-10(2)8-7-9-11(12)19-15(13)18-5/h6-9H,1H2,2-5H3
C16H18O3
258.125594436
O=C1C=2C(OC(OC)=C1C(C=C)(C)C)=CC=CC2C
WAPMVTHIMHEOAB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_UC_6_p1_F02_POS_QEHF_14.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.060473773163744
0.6727671716927427
297.0887451171875
[M+K]+
454.9122813762479 ppm
-0.1351493188124664 Da