Spectrum VF-NPL-LTQ006406 for SPERMIDINE

Rating: (*)★(*)★(*)★(*)☆( )☆
  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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/C7H19N3.3ClH/c8-4-1-2-6-10-7-3-5-9;;;/h10H,1-9H2;3*1H
C7H22Cl3N3
253.08793074399998
Cl.Cl.Cl.NCCCNCCCCN
LCNBIHVSOPXFMR-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
--
NP_C1_62_p10_H06_POS_iTree_03.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.6822750510662425
0.9843148326955324
146.11563526500356
M+H
739005.5505227576 ppm
-107.98026547899642 Da