Spectrum MoNA011057 for Gamma-glutamylcysteine

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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
InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1
RITKHVBHSGLULN-WHFBIAKZSA-N
C8H14N2O5S
250.06234254799998
O=C(O)C(N=C(O)CCC(N)C(=O)O)CS

Mass Spectral Metadata

NameValue
Agilent 6550 iFunnel
20
MS2
DDA
PMID 28641411
Q-TOF
CC-BY
KI_HILIC V0.99f.msp.txt
AIF
1.9675630012182823
0.7918056001766283
251.069625854492
[M+H]+
2.7350720169749914 ppm
-6.866935079870018E-4 Da