Spectrum CCMSLIB00000081307 for 9,10-alpha-Epoxy-eremanthin

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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
38963-61-0
InChI=1S/C15H18O3/c1-7-4-5-10-12(7)13-9(8(2)14(16)17-13)6-11-15(10,3)18-11/h9-13H,1-2,4-6H2,3H3/t9-,10+,11+,12-,13-,15-/m0/s1
C15H18O3
246.12559443599997
O=C1OC2C(C1=C)CC3OC3(C)C4CCC(=C)C24
JFFHVIUZNPTGGR-WJLGXSQGSA-N

Mass Spectral Metadata

NameValue
DI-ESI
Isolated
qTof
246.126
1
f.rsilva/q_tof_25_05/gnps_9_10_a_Epoxy_eremanthin_pos_MplusK.mgf;
MS2
GNPS-LIBRARY
rsilva, Denise Silva, Norberto Lopes
positive
0.958184165472697
0.8721768137459492
284.323
[M+K]+
3168.559828082805 ppm
-0.9008944359999873 Da