Spectrum FiehnHILIC000590 for N-Methyltyrosine

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
AXDLCFOOGCNDST-UHFFFAOYSA-N
C10H13NO3
195.08954327599997
O=C(O)C(NC)CC1=CC=C(O)C=C1
InChI=1S/C10H13NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,11-12H,6H2,1H3,(H,13,14)

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
7.076783
1265
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.7769005110051799
0.614765386546174
196.0967
[M+H]+
4.147321193951449 ppm
-8.132759999739392E-4 Da