Spectrum KZ000209 for Glutathione disulfide

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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/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
YPZRWBKMTBYPTK-BJDJZHNGSA-N
C20H32N6O12S2
612.151962464
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CSSCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O

Mass Spectral Metadata

NameValue
KZ000209
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_05452_P000041
612.15196
Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
GC-EI-TOF
MS1
DB-17MS
0.0
786.462 sec
x TMS
ChromaTOF ver. 2.32 (Leco)
positive
3.053475061363345
0.548363173165902