GNPS Library Spectrum CCMSLIB00000855685

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000855685
Compound NameNCGC00179704-04_C15H24O3_2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene-
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Number4586-68-9
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O
InChIInChI=1S/C15H24O3/c1-10(13(16)17)11-5-8-14(2)6-4-7-15(3,18)12(14)9-11/h11-12,18H,1,4-9H2,2-3H3,(H,16,17)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000855685
Precursor M/Z235.169
Exact Mass252.173
Charge1
AdductM-H2O+H
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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1CommentNCGC00179704-04_C15H24O3_2-Naphthaleneacetic acid, decahydro-8-hydroxy-4a,8-dimethyl-alpha-methylene-Jadhav/DorresteinM-H2O+Hlfnothias235.169mwang87n/a2017-02-19 14:59:22.0

Spectrum ID Ratings