Spectrum CCMSLIB00005464368 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
ESI
Commercial
Orbitrap
204.09
1
MSV000084495/peak/mzXML/GNPS00006_B12_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
1.9054084549519474
0.5097851467747063
205.097
[M+H]+
4.132795701487322 ppm
-8.476239999879454E-4 Da