GNPS Library Spectrum CCMSLIB00000078887

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078887
Compound Nametrans-p-Hydroxycinnamic acid
PINorberto Lopes
Data CollectorDenise Silva
Pubmed
CAS Number501-98-4
Original Submitterrsilva
Most Recent Revisorrsilva
Library QualityBronze Spectrum
SmilesO=C(O)/C=C/C1=CC=C(O)C=C1
InChIInChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000078887
Precursor M/Z163.048
Exact Mass164.047
Charge-1
AdductM-H
Ion SourceDI-ESI
InstrumentqTof
Ion ModeNegative
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-014i-0900000000-c45397049a7ba500b332
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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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1Commenttrans-p-Hydroxycinnamic acidNorberto LopesM-HDenise Silva163.048rsilva 2014-05-05 09:59:12.0

Spectrum ID Ratings