Spectrum FiehnHILIC000503 for Maprotiline

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
QSLMDECMDJKHMQ-UHFFFAOYSA-N
C20H23N
277.183049736
C=1C=CC2=C(C1)C3C=4C=CC=CC4C2(CCCNC)CC3
InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3

Mass Spectral Metadata

NameValue
M + 0
389
positive
HCD (NCE 20-30-40%)
2.657817
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.6246516545876393
0.49294055520328817
278.1897
[M+H]+
4.744014605755773 ppm
-0.001319735999970817 Da