GNPS Library Spectrum CCMSLIB00000078914

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078914
Compound NameBENIDIPINE HCl
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesCO/C(=C\1/[C@H](C(=C(C)N=C1C)C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)c4cccc(c4)[N+](=O)[O-])/O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078914
Precursor M/Z506.229
Exact Mass505.221
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION1
SPLASH Keysplash10-0avi-1736090000-d3039e24bc8e2f71fae7
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentBENIDIPINE HClDorrestein[M+H]Garg_Neha506.229negargN/A2014-05-06 20:38:41.0

Spectrum ID Ratings