GNPS Library Spectrum CCMSLIB00000851254

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000851254
Compound NameNCGC00180650-02_C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-, (4R,4aS,8aS)-
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesC\C1=C\C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
InChIInChI=1S/C15H24O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,12,16,18H,5-7,9H2,1-4H3/t12-,14-,15+/m0/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000851254
Precursor M/Z253.18
Exact Mass252.173
Charge1
AdductM+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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1CommentNCGC00180650-02_C15H24O3_1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-, (4R,4aS,8aS)-Jadhav/DorresteinM+Hlfnothias253.18mwang87n/a2017-02-19 14:59:22.0

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