Spectrum CCMSLIB00000478422 for Alternariol_120108

Rating: (*)★(*)★(*)★(*)★(*)☆

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
641-38-3
C14H10O5
258.05282342
O=C1OC2=CC(O)=CC(=C2C=3C=C(O)C=C(O)C13)C
InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
CEBXXEKPIIDJHL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Isolated
qToF
258.053
1
P1_C9_conc_GA9_01_2415.mzXML
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
2.382929351928681
0.5378081424063293
259.06
[M+H]+
3.062688180265211 ppm
-7.934199999795055E-4 Da