GNPS Library Spectrum CCMSLIB00004713706

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00004713706
Compound Name(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-ol
PIMoNA
Data CollectorMoNA:VF-NPL-QEHF022643
CAS NumberN/A
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesN/A
InChIInChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24?,25+,26+,27+,28-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:MONA:accession:CCMSLIB00004713706
Precursor M/Z429.336
Exact Mass0.0
Charge1
Adduct[M+H]+
Ion SourceN/A
InstrumentESI-QFT
Ion Modepositive
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Library MembershipMONA
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment(1S,2R,5R,6R,10R,13S,15S)-5-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0�,?.0�,?.0�?,�?]nonadec-18-en-13-olMoNA[M+H]+MoNA:VF-NPL-QEHF022643429.336mwang87N/A2018-10-09 11:01:37.0

Spectrum ID Ratings