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Spectrum EAD002166 for Gossypol_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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Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Mass Spectral Metadata
Name
Value
retentiontime
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2.4923075353101853
spectrum type
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MS2
precursormz
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519.2013444
formula
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C30H30O8
exactmass
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518.1940679
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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4.303479
normalized entropy
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0.254865166876168
origin
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ead_pfp.msp