Spectrum CCMSLIB00000478100 for Dimethyl ketal of oxysporidinone_130004

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
884605-00-9
C30H49NO7
535.350902908
O=C1C(=C(O)C(=CN1C)C2(O)CCC(OC)(OC)CC2O)C3OC(C(=CC(C)CC(C)CC)C)C(C)CC3
InChI=1S/C30H49NO7/c1-9-18(2)14-19(3)15-21(5)27-20(4)10-11-23(38-27)25-26(33)22(17-31(6)28(25)34)30(35)13-12-29(36-7,37-8)16-24(30)32/h15,17-20,23-24,27,32-33,35H,9-14,16H2,1-8H3/b21-15+
OKLOELQSMKXXGE-RCCKNPSSSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qToF
535.351
1
P1_C5_conc_GA5_01_2411.mzXML
MS2
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
3.5422610562650707
0.6228725876781179
536.36
[M+H]+
2.1013722127806216 ppm
0.0011270920000470142 Da