Spectrum CCMSLIB00005718935 for Ovoic acid

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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/C25H22O10/c1-11-5-14(26)8-17(27)21(11)24(31)35-16-7-13(3)22(19(10-16)33-4)25(32)34-15-6-12(2)20(23(29)30)18(28)9-15/h5-10,26-28H,1-4H3,(H,29,30)
C25H22O10
482.121296904
O=C(O)C1=C(O)C=C(OC(=O)C=2C(OC)=CC(OC(=O)C=3C(O)=CC(O)=CC3C)=CC2C)C=C1C
BXLGBRLDRRZQKR-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Isolated
LC-ESI
qTof
482.121
1
NEG_077_Ovoic_acid_mH_@165.763_merged.mzXML
MS2
LDB_POSITIVE
Damien OLIVIER, David RONDEAU Thomas DELHAYE, mpanitchpakdi
negative
3.046340863338958
0.3559262317303726
481.113
[M-H]-
2.1219630316143547 ppm
-0.001020904000029077 Da