Spectrum FiehnHILIC002737 for Gly-Leu

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
DKEXFJVMVGETOO-LURJTMIESA-N
C8H16N2O3
188.116092372
O=C(O)C(N=C(O)CN)CC(C)C
InChI=1S/C8H16N2O3/c1-5(2)3-6(8(12)13)10-7(11)4-9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
7.333983
negative
1106
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)
0.45839775433876867
0.4172516173967998
187.1095
[M-H]-
3.653625283538365 ppm
6.836279999902217E-4 Da