Spectrum PT100440 for Cadaverine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
102.18
C5H14N2
102.11569844799999
NCCCCCN
InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
VHRGRCVQAFMJIZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PT100440
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
Ramp 5-45 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
0.32012243455564193
0.46183904881072635
103.12349
[M+H]+
1.7304301860377769 ppm
-1.7844799998556482E-4 Da