GNPS Library Spectrum CCMSLIB00000425048

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000425048
Compound NameHMDB:HMDB00701-979 Hexanoylglycine
PIHMDB
Data CollectorHMDB
CAS Number24003-67-6
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesCCCCCC(=O)NCC(O)=O
InChIInChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:HMDB:accession:CCMSLIB00000425048
Precursor M/Z174.113
Exact Mass173.105
Charge1
AdductM+H
Ion SourcePositive
InstrumentQuattro_QQQ:25eV
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipHMDB
SPLASH Keysplash10-0006-9000000000-0cd5551af50bb9dab102
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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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1CommentHMDB:HMDB00701-979 HexanoylglycineHMDBM+HHMDB174.113mwang87N/A2015-02-20 17:07:30.0

Spectrum ID Ratings