GNPS Library Spectrum CCMSLIB00000079351

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079351
Compound Name"MLS000728601-01!(2S)-3-benzoyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinoline-2-carbonitrile"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesO=C(N1[C@@H](C#N)C2OC2c3ccccc13)c4ccccc4
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079351
Precursor M/Z277.098
Exact Mass276.09
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0a4i-0930000000-1f033ad25c94e5fb80ec
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS000728601-01
(2S)-3-benzoyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinoline-2-carbonitrile"
DorresteinM+HVVP/LMS277.098vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings