Spectrum VF-NPL-QTOF009878 for TRYPTOPHAN

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
QIVBCDIJIAJPQS-VIFPVBQESA-N
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
10 V
NP_C1_9
1.4025 minutes
2.823124445988815
0.7180187296435876
203.0825
[M-H]-
0.5004074698488618 ppm
-1.0162399999558147E-4 Da