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Spectrum EAD000109 for benzoin_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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Compound Metadata
Name
Value
SMILES
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O=C(c1ccccc1)C(O)c1ccccc1
Mass Spectral Metadata
Name
Value
origin
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ead_pfp.msp
retentiontime
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1.7496552536761147
spectrum type
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MS2
precursormz
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213.0910061
formula
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C14H12O2
exactmass
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212.0837296
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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3.1424985
normalized entropy
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0.1291802397561859