Spectrum CCMSLIB00000478421 for _120107

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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
C15H16O6
292.09468823199995
O=C1OC2(C(=CC(O)C(O)C2)C=3C=C(OC)C=C(O)C13)C
InChI=1S/C15H16O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,10,12,16-18H,6H2,1-2H3
MMHTXEATDNFMMY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qToF
292.095
1
P1_C8_conc_GA8_01_2414.mzXML
MS2
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
3.0248722641961336
0.6689548201234549
293.102
[M+H]+
2.2457438024235348 ppm
-6.582319999779429E-4 Da