Spectrum PT206160 for L-beta-homotyrosine-HCl

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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
195.22
C10H13NO3
195.089543276
O=C(O)CC(N)CC1=CC=C(O)C=C1
InChI=1S/C10H13NO3/c11-8(6-10(13)14)5-7-1-3-9(12)4-2-7/h1-4,8,12H,5-6,11H2,(H,13,14)/t8-/m0/s1
VUNPIAMEJXBAFP-QMMMGPOBSA-N

Mass Spectral Metadata

NameValue
Continuum
PT206160
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
CH3CN/H2O
3.0 kV
35.0 V
[M-H]-
MS2
negative
0.8870416028604663
0.807420062573541
194.08174
[M-H]-
2.716772840216183 ppm
-5.272760000138987E-4 Da