Spectrum MoNA003367 for L-Tryptophan

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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
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
QIVBCDIJIAJPQS-VIFPVBQESA-N
C11H12N2O2
204.089877624
O=C(O)C(N)CC1=CNC=2C=CC=CC21

Mass Spectral Metadata

NameValue
PHR1176
Sigma-Aldrich, USA
40(NCE)
LC-ESI-Q-Orbitrap
Direct Infusion (DI)
MS2
Electrospray Ionization (ESI)
Pengwei ZHANG
positive
1.6831938050612059
0.561863895489014
205.09715
[M+H]+
3.401431955525353 ppm
-6.976239999971767E-4 Da