Spectrum FiehnHILIC002328 for Sibutramine

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC 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
UNAANXDKBXWMLN-UHFFFAOYSA-N
C17H26ClN
279.175377512
ClC1=CC=C(C=C1)C2(CCC2)C(N(C)C)CC(C)C
InChI=1S/C17H26ClN/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14/h6-9,13,16H,5,10-12H2,1-4H3

Mass Spectral Metadata

NameValue
M + 0
1.924483
15 eV
positive
158
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.71729647535917
0.5133459276078249
280.184
[M+H]+
2.328783942031925 ppm
6.52488000014273E-4 Da