Spectrum CCMSLIB00004680043 for Quebrachamine

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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
4850-21-9
InChI=1S/C19H26N2/c1-2-19-10-5-12-21(14-19)13-9-16-15-6-3-4-7-17(15)20-18(16)8-11-19/h3-4,6-7,20H,2,5,8-14H2,1H3/t19-/m1/s1
C19H26N2
282.209598832
C=1C=CC2=C(C1)NC3=C2CCN4CCCC(C4)(CC)CC3
FDNDLNFGITWTOZ-LJQANCHMSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
282.21
1
Quebrachamine.mgf
MS2
MIADB
Alexander Fox Ramos, Mehdi Beniddir, mwang87
positive
3.6310068635013413
0.755826593949268
283.217
[M+H]+
2.0084670058613003 ppm
-5.688319999990199E-4 Da