Spectrum FiehnHILIC002943 for Pro-Hyp

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
ONPXCLZMBSJLSP-CSMHCCOUSA-N
C10H16N2O4
228.111006992
O=C(O)C1N(C(=O)C2NCCC2)CC(O)C1
InChI=1S/C10H16N2O4/c13-6-4-8(10(15)16)12(5-6)9(14)7-2-1-3-11-7/h6-8,11,13H,1-5H2,(H,15,16)/t6-,7+,8+/m1/s1

Mass Spectral Metadata

NameValue
M + 0
8.168616
15 eV
negative
35 eV
1325
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.8765417868924663
0.9024258433235585
227.1035
[M-H]-
1.0171221492093916 ppm
-2.3099200001297504E-4 Da