Spectrum CCMSLIB00005719432 for Galapagin

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
InChI=1S/C20H24O10/c1-7-5-11(22)13-14(23)8(2)18(9(3)19(13)28-7)30-20-17(26)16(25)15(24)12(29-20)6-27-10(4)21/h5,12,15-17,20,23-26H,6H2,1-4H3/t12-,15-,16+,17-,20+/m1/s1
C20H24O10
424.13694696799996
O=C(OCC1OC(OC=2C(=C(O)C=3C(=O)C=C(OC3C2C)C)C)C(O)C(O)C1O)C
NJRLDXGREKHXGV-IVABAYMNSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
Orbitrap
424.137
1
NEG_023_Galapagin_Comp_2MpFAmH_@134.663_merged.mzXML
MS2
LDB_NEGATIVE
Damien OLIVIER, mpanitchpakdi, Jean-Luc WOLFENDER Pierre-Marie ALLARD
negative
1.6919352407771289
0.3982434119335356
893.271
[2M+FA-H]-