Spectrum VF-NPL-LTQ002071 for 8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-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/C16H18O5/c1-9(2)14(18)16(20-4)13-11(19-3)7-5-10-6-8-12(17)21-15(10)13/h5-8,14,16,18H,1H2,2-4H3
C16H18O5
290.115423676
O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC)C(O)C(=C)C
DBPWCIPDCMVUFT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C2_368_p05_F02_POS_iTree_06.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.2533195298240848
0.23058137291654898
329.0706012432392
M+NH4
63562.6442721277 ppm
20.916597567239194 Da