Spectrum VF-NPL-LTQ002083 for 7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-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/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3
C15H14O4
258.089208928
O=C1OC2=C(C=C1)C=CC(OC)=C2C3OC3C(=C)C
YTDNHMHONBWCBV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C2_372_p08_D05_POS_iTree_04.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.64950930297492
0.6430962460044031
281.0927880027077
M+H
78250.35011035515 ppm
21.995609074707716 Da