GNPS Library Spectrum CCMSLIB00000578448

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000578448
Compound NameMassbankEU:ET010002 CLC_301.1468_14.3|Chlorcyclizine|1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
PIMassbank EU
Data CollectorMassbank
CAS Number82-93-9
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChI1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:MASSBANKEU:accession:CCMSLIB00000578448
Precursor M/Z301.147
Exact Mass0.0
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentLC-ESI-QFT
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipMASSBANKEU
SPLASH Keysplash10-0uxr-0590000000-ce9f2e2451aeb092dd88
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentMassbankEU:ET010002 CLC_301.1468_14.3|Chlorcyclizine|1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazineMassbank EU[M+H]+Massbank301.147mwang87N/A2016-02-10 18:45:18.0

Spectrum ID Ratings