Spectrum CCMSLIB00000424776 for Ginkgolide B

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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
15291-77-7
InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3
C20H24O10
424.13694696799996
O=C1OC2OC34C(=O)OC5CC(C(C)(C)C)C2(C1O)C54C(O)C6OC(=O)C(C)C63O
SQOJOAFXDQDRGF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
424.137
0
f.10mauriz/10_BR_pos_Na_40eV.mgf;
MS2
GNPS-LIBRARY
Lucas Marques, 10mauriz, Norberto Lopes
positive
1.0536346596041108
0.6546600222748591
447.126
[M+H]+
49160.82498445632 ppm
21.981083032000015 Da