GNPS Library Spectrum CCMSLIB00000079350

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000079350
Compound Name"MLS001141366-01!(2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]-2-phenylacetic acid"
PIDorrestein
Data CollectorVVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesOC(=O)[C@H](NC(=O)CCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)c4ccccc4
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY:accession:CCMSLIB00000079350
Precursor M/Z408.156
Exact Mass407.148
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY
SPLASH Keysplash10-0ka9-0940000000-b313e4c8491068621dde
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
"MLS001141366-01
(2R)-2-[3-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]-2-phenylacetic acid"
DorresteinM+HVVP/LMS408.156vphelanN/A2014-05-14 15:25:20.0

Spectrum ID Ratings