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Spectrum EAD002338 for arctiin_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 MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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COc1ccc(CC2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)cc1OC
Mass Spectral Metadata
Name
Value
retentiontime
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1.5281819130634713
spectrum type
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MS2
precursormz
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552.2439349
formula
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C27H34O11
exactmass
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534.2101119
precursor type
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[M+NH4]+
ion mode
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P
spectrum entropy
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4.0643177
normalized entropy
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0.1836448120953834
origin
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ead_pfp.msp