GNPS Library Spectrum CCMSLIB00000079633

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079633
Compound Name"MLS000876786-01!(4R,4aS,8aS)-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079633
Precursor M/Z253.18
Exact Mass252.173
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-01pa-0900000000-3eba3425b60e7a92240d
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS000876786-01
(4R,4aS,8aS)-4-hydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one"
DorresteinM+HVVP/LMS253.18vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings