Spectrum PT110550 for 3-Chloro-L-tyrosine hydrochloride

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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
215.63
C9H10ClNO3
215.03492086
O=C(O)C(N)CC1=CC=C(O)C(Cl)=C1
InChI=1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
ACWBBAGYTKWBCD-ZETCQYMHSA-N

Mass Spectral Metadata

NameValue
MS2
positive
2.135217558623589
0.8904548846838362
216.04272
[M+H]+
0.7908621035562751 ppm
-1.7085999999721935E-4 Da
PT110550
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
Ramp 5-45 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+