Spectrum CCMSLIB00005463662 for 5'-methoxy aureol

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/C22H32O2/c1-15-7-10-19-20(2,3)11-6-12-22(19)21(15,4)14-16-13-17(23-5)8-9-18(16)24-22/h8-9,13,15,19H,6-7,10-12,14H2,1-5H3/t15-,19-,21+,22-/m0/s1
C22H32O2
328.240230264
O(C1=CC=C2OC34CCCC(C)(C)C4CCC(C)C3(C)CC2=C1)C
GFZLFKCEWJJEFW-SZLKJRAXSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
328.24
1
f.mohantyipsita92/FLK-008/FLK008_5uL_P1-A-3_01_2086.mzXML;
MS2
GNPS-LIBRARY
mohantyipsita92, Ipsita Mohanty, Vinayak Agarwal
positive
2.2356054242232495
0.5943861946869597
329.21
[M+H]+
116.03615929045587 ppm
-0.038200264000010975 Da