Spectrum CCMSLIB00000846774 for NCGC00380136-01!1-(2,3-dihydropyrrol-1-yl)-8,9-dihydroxy-2-methyldecane-1,3-dione

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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
n/a
n/a
InChI=1S/C15H25NO4/c1-11(15(20)16-9-5-6-10-16)13(18)7-3-4-8-14(19)12(2)17/h5,9,11-12,14,17,19H,3-4,6-8,10H2,1-2H3
C15H25NO4
283.17835828
O=C(N1C=CCC1)C(C(=O)CCCCC(O)C(O)C)C
JOWVGZMGFFSVRV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
283.178
1
positive
A10_GA10_01_2793.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.1350848721609967
0.6559957859803799
266.174
[M-H2O+H]+
11.314854192974748 ppm
0.00301171999996086 Da