Spectrum PM004503 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
424.14
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/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
SQOJOAFXDQDRGF-MMQTXUMRSA-N
C20H24O10
424.13694696799996
O=C1OC2OC34C(=O)OC5CC(C(C)(C)C)C2(C1O)C54C(O)C6OC(=O)C(C)C63O

Mass Spectral Metadata

NameValue
PM004503
Sun Y, Li W, Fitzloff JF, & van Breemen RB
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3OH
QqQ
Waters2690
30->42V
ESI
negative
Ginkgo biloba
[M-H]-
MS2
0.6004829082458254
0.5465830980043143
423
[M-H]-
306.5507517729806 ppm
-0.1296709679999708 Da