MassBank Record: KO002930



 L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002930
RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G008

CH$NAME: Oxidized glutathione CH$NAME: Oxiglutatione CH$NAME: Glutathione disulfide CH$NAME: GSSG CH$NAME: L-Glutathione (oxidized form) CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H32N6O12S2 CH$EXACT_MASS: 612.15196 CH$SMILES: OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)NC(=O)CC[C@H](N)C(O)=O CH$IUPAC: 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 CH$LINK: CAS 27025-41-8 CH$LINK: CHEBI 17858 CH$LINK: CHEMPDB GDS CH$LINK: KEGG C00127 CH$LINK: NIKKAJI J415.688I CH$LINK: PUBCHEM SID:3427
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 613 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0003309000-7555effd0b74737b9d2f PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 105.700 34653.5 36 191.100 24752.5 26 226.500 44554.5 47 248.100 54455.5 57 305.500 138614.0 146 324.200 44554.5 47 355.700 39604.0 42 369.300 64356.5 68 370.100 44554.5 47 423.300 19802.0 21 449.300 19802.0 21 484.400 193069.5 203 494.000 19802.0 21 495.700 79208.0 83 613.500 950496.0 999 //