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Spectrum EAD000124 for 1,2-Propanediol, 3-(1,3-benzodioxol-5-yl)-_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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OCC(O)Cc1ccc2c(c1)OCO2
Mass Spectral Metadata
Name
Value
retentiontime
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1.8248602331690644
spectrum type
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MS2
precursormz
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219.0627769
formula
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C10H12O4
exactmass
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196.0735589
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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3.4102893
normalized entropy
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0.1763330285900052
origin
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ead_pfp.msp