Spectrum CCMSLIB00005464308 for N1-ACETYLSPERMINE

Rating: (*)★(*)★(*)★(*)★( )☆

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
77928-70-2
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)
C12H28N4O
244.226311516
OC(=NCCCNCCCCNCCCN)C
GUNURVWAJRRUAV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
244.226
1
MSV000084495/peak/mzXML/GNPS00006_E12_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
1.904282179064708
0.5446240700437747
267.216
[M+Na]+
0.30505658352392745 ppm
-8.15160000229298E-5 Da