MassBank Record: KO000825



 L-Glutathione (reduced 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: KO000825
RECORD_TITLE: L-Glutathione (reduced 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 306 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0952000000-4a2a42699cf4aab2c559 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 59.000 69307.0 141 86.300 29703.0 61 128.000 331683.5 676 128.900 29703.0 61 138.100 14851.5 30 141.300 237624.0 484 142.100 252475.5 515 143.000 490099.5 999 146.000 44554.5 91 154.400 29703.0 61 159.900 19802.0 40 166.700 24752.5 50 170.900 34653.5 71 177.300 34653.5 71 179.200 153465.5 313 179.500 59406.0 121 185.400 34653.5 71 197.800 19802.0 40 202.900 19802.0 40 210.200 89109.0 182 212.500 34653.5 71 224.600 39604.0 81 254.300 212871.5 434 255.300 54455.5 111 272.400 396040.0 807 272.900 79208.0 161 273.700 89109.0 182 286.100 14851.5 30 304.600 89109.0 182 306.600 430693.5 878 307.800 19802.0 40 338.200 19802.0 40 339.300 34653.5 71 //