Spectrum CCMSLIB00005720200 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
73-22-3
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
C11H12N2O2
204.089877624
O=C(O)C(N)CC1=CNC=2C=CC=CC21
QIVBCDIJIAJPQS-VIFPVBQESA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
204.09
1
f.simone/reference_spectra/reference_spectra/0a208d73-6e82-4b36-bc8a-ec8de13d40ad.mgf;
MS2
GNPS-LIBRARY
simone, Naydja
positive
0.9788959022076157
0.7061241318307274
205.098
[M+H]+
0.7429423983502008 ppm
1.523760000168295E-4 Da