Spectrum PR100135 for Glutathione (oxidized form)

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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
YPZRWBKMTBYPTK-BJDJZHNGSA-N
C20H32N6O12S2
612.151962464
Peptide
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
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
120 C
3.0 kV
PR100135
2016.01.19 (Created 2009.09.10, modified 2011.05.06)
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
CC BY-SA
Acquisition and generation of the data is financially supported in part by CREST/JST.
612.15196
UPLC Q-Tof Premier, Waters
LC-ESI-QTOF
MS2
30 V
Continuum
600.0 L/Hr
400 C
LOW-ENERGY CID
ESI
23.0 V
CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
positive
0.6229100375719149
0.44933461106247974
613.15976
[M+H]+
0.2812709040169844 ppm
-1.724640000020372E-4 Da