Spectrum FiehnHILIC000761 for Serine

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
MTCFGRXMJLQNBG-REOHCLBHSA-N
C3H7NO3
105.042593084
O=C(O)C(N)CO
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
1731
positive
HCD (NCE 20-30-40%)
8.64635
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)
0.6827262593481573
0.328321929548753
106.0502
[M+H]+
3.423699342386511 ppm
-3.63083999999958E-4 Da