Spectrum PM000971 for Glutathione (reduced from)

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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
307.32
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
RWSXRVCMGQZWBV-WDSKDSINSA-N
C10H17N3O6S
307.08380626400003
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CS

Mass Spectral Metadata

NameValue
PM000971
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
18
ESI
positive
authentic sample
[M+H]+
MS2
1.6290771833850668
0.9092052875193808
308
[M+H]+
297.9748831169867 ppm
-0.09177626400003192 Da