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Spectrum EAD001078 for isotaxiresinol_minor
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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COc1cc2c(cc1O)C(c1ccc(O)c(O)c1)C(CO)C(CO)C2
Mass Spectral Metadata
Name
Value
retentiontime
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0.824683333333
spectrum type
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MS2
precursormz
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369.1308564
formula
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C19H22O6
exactmass
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346.1416384
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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4.361054
normalized entropy
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0.3433621742770956
origin
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ead_pfp.msp