Spectrum KZ000226 for L-Glutathione

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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
Natural Product
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
KZ000226
2016.01.19 (Created 2009.03.11, modified 2011.05.06)
Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
CC BY-SA
MassBase peak ID: MDGC1_05453_P000039
307.08381
Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
GC-EI-TOF
MS1
DB-17MS
0.0
786.663 sec
x TMS
ChromaTOF ver. 2.32 (Leco)
positive
2.449672987380361
0.5543700723348474