GNPS Library Spectrum CCMSLIB00000079353

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079353
Compound Name"MLS001075865-01!N-[2-[7-methoxy-6-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-N-methylbenzamide"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOc1c2OCOc2cc(CCN(C)C(=O)c3ccccc3)c1/C=C\4/C(=O)NC(=O)N(CC=C)C4=O
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079353
Precursor M/Z492.177
Exact Mass491.169
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0a4i-0962000000-b26c55701994efcdcb5d
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS001075865-01
N-[2-[7-methoxy-6-[(Z)-(2,4,6-trioxo-1-prop-2-enyl-1,3-diazinan-5-ylidene)methyl]-1,3-benzodioxol-5-yl]ethyl]-N-methylbenzamide"
DorresteinM+HVVP/LMS492.177vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings