MassBank Record: KO001290



 S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001290
RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:10 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 L016

CH$NAME: S-Lactoylglutathione CH$NAME: (R)-S-Lactoylglutathione CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H21N3O8S CH$EXACT_MASS: 379.10494 CH$SMILES: OC(=O)CNC(=O)[C@@H](NC(=O)CC[C@H](N)C(O)=O)CSC(=O)[C@@H](C)O CH$IUPAC: InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1 CH$LINK: CAS 25138-66-3 CH$LINK: CHEBI 15694 CH$LINK: KEGG C03451 CH$LINK: NIKKAJI J410.799C CH$LINK: PUBCHEM SID:6272
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 378 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0109000000-a34d20761c4d6bee6ff4 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 170.700 34653.5 23 185.100 39604.0 26 199.300 123762.5 81 245.500 69307.0 45 296.100 24752.5 16 302.600 29703.0 19 318.400 64356.5 42 342.600 49505.0 32 378.300 1524754.0 999 //