Spectrum MoNA036272 for TRYPTOPHANAMIDE

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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
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
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C11H13N3O
positive
20 eV
Sonnenburg Lab MS2 Library HILIC positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
2.1760567061119147
0.6223514944149723
204.1131381
[M+H]+
3.3997615560870607 ppm
-6.93936000004669E-4 Da