Spectrum PM018192 for Tyrosine

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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
181.0738932
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
OUYCCCASQSFEME-QMMMGPOBSA-N
C9H11NO3
181.073893212
O=C(O)C(N)CC1=CC=C(O)C=C1

Mass Spectral Metadata

NameValue
PM018192
F. Matsuda and M. Suzuki.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
Q-TOF
QTOF Premier
15->55V
ESI
positive
Arabidopsis thaliana
[M+H]+
MS2
2.0410507129123245
0.8864170619025207
182.0811
[M+H]+
4.191604730033027 ppm
-7.632120000096165E-4 Da