Spectrum MoNA002275 for TYROSINE

Rating: (*)★(*)★(*)★(*)★(*)☆

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
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)
OUYCCCASQSFEME-UHFFFAOYSA-N
C9H11NO3
181.073893212
O=C(O)C(N)CC1=CC=C(O)C=C1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
10
C9H11NO3
181.07389
181.07389
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.049839345570994
0.5138750422771251
182.081407819475
[M+H]+
2.501038027174267 ppm
-4.553925249979329E-4 Da