GNPS Library Spectrum CCMSLIB00000850305

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000850305
Compound NameNCGC00385875-01_C15H22O2_(1R,4Z,9S)-4-(Hydroxymethyl)-11,11-dimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-one
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC1(C)C[C@H]2[C@H]1CC(=O)\C(=C/CCC2=C)CO
InChIInChI=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
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000850305
Precursor M/Z257.151
Exact Mass234.162
Charge1
AdductM+Na
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentNCGC00385875-01_C15H22O2_(1R,4Z,9S)-4-(Hydroxymethyl)-11,11-dimethyl-8-methylenebicyclo[7.2.0]undec-4-en-3-oneJadhav/DorresteinM+Nalfnothias257.151mwang87n/a2017-02-19 14:59:22.0

Spectrum ID Ratings