Spectrum CCMSLIB00000478515 for Epicoccolide B_130095

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
852360-39-5
C18H14O8
358.06886740799996
O=CC1=C(O)C(O)=C(O)C(=C1C=2OC=3C(O)=C(O)C(=C(C=O)C3C2)C)C
InChI=1S/C18H14O8/c1-6-9(4-19)8-3-11(26-18(8)17(25)13(6)21)12-7(2)14(22)16(24)15(23)10(12)5-20/h3-5,21-25H,1-2H3
HTCVSLIHSFBUEL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qToF
358.069
1
P2_C11_conc_GE11_01_2430.mzXML
MS2
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
3.8720833416973517
0.7530798736919161
359.077
[M+H]+
0.45280538725085584 ppm
1.6259200003787555E-4 Da