Spectrum VF-NPL-QEHF023688 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
65HCD
MX_UC_6_p1_F02_POS_QEHF_16.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.1918858284720764
0.5768409823625292
276.159423828125
[M+NH4]+
17.20241087247058 ppm
-0.004750607874996149 Da