Spectrum MoNA002094 for N1-ACETYLSPERMINE

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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
InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
GUNURVWAJRRUAV-UHFFFAOYSA-N
C12H28N4O
244.226311516
OC(=NCCCNCCCCNCCCN)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C12H28N4O
244.22631
244.22631
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.280237251633946
0.61813818532101
245.234185791016
[M+H]+
0.39034110889740364 ppm
-9.57249840212171E-5 Da