Spectrum FiehnHILIC000826 for Tryptophanamide

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
JLSKPBDKNIXMBS-VIFPVBQESA-N
C11H13N3O
203.105862036
N=C(O)C(N)CC1=CNC=2C=CC=CC21
InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
1041
positive
HCD (NCE 20-30-40%)
5.909517
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
0.5892686159126954
204.1131
[M+H]+
3.586423409315995 ppm
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5957689938255957
-7.320359999880566E-4 Da