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Spectrum EAD001585 for Picropodophyllin_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
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as MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1OC
Mass Spectral Metadata
Name
Value
retentiontime
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1.8804972298625813
spectrum type
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MS2
precursormz
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437.1206857
formula
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C22H22O8
exactmass
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414.1314677
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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5.598158
normalized entropy
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0.6872469454991468
origin
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ead_pfp.msp