Spectrum CCMSLIB00005720289 for Rhoifolin

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
17306-46-6
C27H30O14
578.1635556399999
O=C1C=C(OC2=CC(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)=CC(O)=C12)C=5C=CC(O)=CC5
InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3
RPMNUQRUHXIGHK-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Ion Trap
578.164
1
f.tsmoe/4GNPS/20200326-Rhoifolin.mzXML;
MS2
GNPS-LIBRARY
tsmoe, Moe, Zhang
positive
0.45581691047103307
0.13679139713038402
579.629
[M+H]+
789.2537467933897 ppm
0.45747436000010566 Da