GNPS Library Spectrum CCMSLIB00013564097

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00013564097
Compound Name(S)-3-Phenylcyclohexanone (known structural isomers: 0; isobaric peaks in run: 0)
PIPieter Dorrestein
Data CollectorNina Zhao
CAS NumberN/A
Original Submitterjzemlin
Most Recent Revisorjzemlin
Library QualityGold Spectrum
SmilesO=C1CCCC(c2ccccc2)C1
InChI"InChI=1S/C12H14O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:REFRAME-POSITIVE-LIBRARY:accession:CCMSLIB00013564097
Precursor M/Z192.138
Exact Mass174.104
Charge1
Adduct[M+NH4]+
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
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Library MembershipREFRAME-POSITIVE-LIBRARY
SPLASH Keynull-null-null-null
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment(S)-3-Phenylcyclohexanone (known structural isomers: 0; isobaric peaks in run: 0)Pieter Dorrestein[M+NH4]+Nina Zhao192.138jzemlinN/A2024-11-22 15:17:39.0

Spectrum ID Ratings