Spectrum MoNA002221 for 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)
QIVBCDIJIAJPQS-UHFFFAOYSA-N
C11H12N2O2
204.089877624
O=C(O)C(N)CC1=CNC=2C=CC=CC21

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C11H12N2O2
204.08988
204.08988
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.6912949916073154
0.6520977367151837
205.09725189209
[M+H]+
2.9046313615354458 ppm
-5.957319100104996E-4 Da