MassBank Record: KO002931



 L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002931
RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 613 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0259201000-2cd328143ce713c285d9 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 174.400 54455.5 118 185.900 14851.5 32 191.000 89109.0 193 226.200 103960.5 226 235.000 29703.0 64 248.500 113861.5 247 266.400 34653.5 75 267.200 34653.5 75 270.500 84158.5 183 305.200 103960.5 226 346.800 19802.0 43 355.700 460396.5 999 358.500 59406.0 129 369.500 34653.5 75 369.800 24752.5 54 409.800 49505.0 107 484.300 118812.0 258 538.500 29703.0 64 595.300 19802.0 43 613.400 94059.5 204 //