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Spectrum EAD002105 for 5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione_major
Originally submitted to the
EAD PFP NP lib
as PFP NP library
PFP NP library
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as JSON (Internal MoNA Format)
as MSP (NIST-compatible)
Submitter:
Fanzhou Kong
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Mass Spectrum
Ion Table / Peak Table
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Compound Information
biological
Chemical Names
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as MOL file
as MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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COC1CC(OC(O)C(O)C(O)C(O)C(O)CO)c2c(cc3cc(C)oc(=O)c3c2O)OC1=O
Mass Spectral Metadata
Name
Value
retentiontime
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1.0549488359095056
spectrum type
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MS2
precursormz
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509.1265589
formula
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C21H26O13
exactmass
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486.1373409
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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4.023978
normalized entropy
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0.1787916056969142
origin
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ead_pfp.msp