Spectrum FiehnHILIC002709 for gamma-Glu-Tyr

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
VVLXCWVSSLFQDS-QWRGUYRKSA-N
C14H18N2O6
310.116486296
O=C(O)C(N=C(O)CCC(N)C(=O)O)CC1=CC=C(O)C=C1
InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
8.202434
1212
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.6482918152201593
0.36181855118056855
309.1065
[M-H]-
8.76816242955755 ppm
-0.002710296000032031 Da