GNPS Library Spectrum CCMSLIB00000078001

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078001
Compound NameErlotinib HCl
PIDorrestein
Data CollectorGarg_Neha
CAS Number"183319-69-9, 183321-74-6 (free base), 248594-19-6 (methanesulfonate)"
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC1(=CC=CC(=C1)C#C)NC2(=NC=NC3=C2C=C(C(=C3)OCCOC)OCCOC).Cl
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078001
Precursor M/Z394.176
Exact Mass393.169
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-004m-1279000000-38980c0a8c22d90009b7
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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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1CommentErlotinib HClDorrestein[M+H]Garg_Neha394.176negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings