MassBank Record: KO002932



 L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002932
RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 613 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05d0-0493000000-93bd088394049a484b9d PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 130.000 19802.0 83 152.100 49505.0 208 174.000 49505.0 208 177.300 198020.0 833 209.500 9901.0 42 223.300 29703.0 125 231.000 237624.0 999 235.100 128713.0 541 266.400 39604.0 167 270.500 113861.5 479 283.300 24752.5 104 288.000 39604.0 167 322.000 24752.5 104 355.400 198020.0 833 356.200 19802.0 83 //