Spectrum CCMSLIB00005722718 for NCGC00169012-02!7-[(3,3-dimethyloxiran-2-yl)methoxy]-6-methoxychromen-2-one [IIN-based: Match]

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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/C15H16O5/c1-15(2)13(20-15)8-18-12-7-10-9(6-11(12)17-3)4-5-14(16)19-10/h4-7,13H,8H2,1-3H3
C15H16O5
276.09977361200004
O=C1OC=2C=C(OCC3OC3(C)C)C(OC)=CC2C=C1
FMXSCHCLGOEVNM-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
276.1
1
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid
positive
1.4768567396249952
0.5453579623538353
277.107
[M+H]+
2.683483275442131 ppm
-7.436120000079427E-4 Da