Spectrum PM018090 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
204.0898776
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
PM018090
F. Matsuda and M. Suzuki.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
Q-TOF
QTOF Premier
15->55V
ESI
negative
Arabidopsis thaliana
[M-H]-
MS2
1.495529548886298
0.7685501561376497
203.0818
[M-H]-
3.9472961142693195 ppm
-8.016240000188191E-4 Da