Spectrum MoNA033694 for IS_TRYPTOPHAN-2,4,5,6,7-D5

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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
C11H12N2O2
204.089877624
O=C(O)C(N)CC1=CNC=2C=CC=CC21
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C11H12N2O2
positive
20 eV
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
2.7139702215093
0.7408010247013209
210.128576
[M+H]+
23941.19101630429 ppm
5.030728376000013 Da