MassBank Record: KO000828



 L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000828
RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:50 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 G009

CH$NAME: Glutathione CH$NAME: Reduced glutathione CH$NAME: gamma-L-Glutamyl-L-cysteinyl-glycine CH$NAME: GSH CH$NAME: N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine CH$NAME: 5-L-Glutamyl-L-cysteinylglycine CH$NAME: L-Glutathione (reduced form) CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H17N3O6S CH$EXACT_MASS: 307.08381 CH$SMILES: OC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 CH$LINK: CAS 70-18-8 CH$LINK: CHEBI 16856 CH$LINK: CHEMPDB GSH CH$LINK: KEGG C00051 CH$LINK: NIKKAJI J10.686K CH$LINK: PUBCHEM SID:3353
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 306 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9200000000-aecd0eb18a10c3ffb7ab PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 41.800 14851.5 94 59.300 158416.0 999 60.100 44554.5 281 73.900 54455.5 343 82.400 34653.5 219 83.900 14851.5 94 86.100 34653.5 219 95.400 19802.0 125 99.100 29703.0 187 102.200 39604.0 250 109.200 29703.0 187 127.800 64356.5 406 //