Spectrum MoNA024000 for 4-HYDROXY-L-PHENYLGLYCINE

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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
InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
LJCWONGJFPCTTL-ZETCQYMHSA-N
C8H9NO3
167.058243148
O=C(O)C(N)C1=CC=C(O)C=C1

Mass Spectral Metadata

NameValue
LC-ESI-Orbitrap
Thermo Scientific Orbitrap ID-X
Flow Injection
ESI
MS2
HCD (NCE 40%)
C8H9NO3
167.0
167.05823999999998
IROA_DB_for_mona_filtered_exported_addedInfo.msp
negative
2.7146329702497995
0.740981927550656
166.05094
[M-H]-
0.16349199838996034 ppm
-2.71480000151314E-5 Da