Spectrum CCMSLIB00000850305 for NCGC00385875-01_C15H22O2_(1R,4Z,9S)-4-(Hydroxymethyl)-11,11-dimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one

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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/C15H22O2/c1-10-5-4-6-11(9-16)14(17)7-13-12(10)8-15(13,2)3/h6,12-13,16H,1,4-5,7-9H2,2-3H3/b11-6-/t12-,13-/m1/s1
C15H22O2
234.161979944
O=C1C(=CCCC(=C)C2CC(C)(C)C2C1)CO
GVUHIWDAWNDBKR-RLLAQXBXSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
234.162
1
positive
G9_GG9_01_8193.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.139572304291846
0.8761143329256327
257.151
[M+Na]+
2.916356537622071 ppm
-7.499440000060531E-4 Da