Spectrum MoNA024202 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)/t9-/m1/s1
QIVBCDIJIAJPQS-SECBINFHSA-N
C11H12N2O2
204.089877624
O=C(O)C(N)CC1=CNC=2C=CC=CC21

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C11H12N2O2
204.0
204.08988
IROA_DB_for_mona_filtered_exported_addedInfo.msp
negative
1.3444055770444225
0.3310982504993967
203.08258
[M-H]-
0.10647885209361672 ppm
-2.162399999861009E-5 Da