Spectrum FiehnHILIC001201 for gamma-Glutamylleucine

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
MYFMARDICOWMQP-YUMQZZPRSA-N
C11H20N2O5
260.13722174
O=C(O)C(N=C(O)CCC(N)C(=O)O)CC(C)C
InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
1339
negative
HCD (NCE 20-30-40%)
8.042784
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)
2.033675719581649
0.7036035119101479
259.1299
[M-H]-
0.1765137869532796 ppm
-4.573999996182465E-5 Da