Spectrum FiehnHILIC001966 for Glutathione (reduced)

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
RWSXRVCMGQZWBV-WDSKDSINSA-N
C10H17N3O6S
307.08380626400003
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CS
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
8.6649
15 eV
positive
747
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)
2.4837701742752922
0.74538347412077
308.0916
[M+H]+
0.5721155656428537 ppm
-1.7626400000381182E-4 Da