MassBank Record: KO001293



 S-Lactoylglutathione; 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: KO001293
RECORD_TITLE: S-Lactoylglutathione; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 378 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004l-2900000000-ed3b919674c5534985e4 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 73.900 34653.5 368 92.800 19802.0 210 96.800 59406.0 631 100.500 29703.0 315 116.600 29703.0 315 127.000 29703.0 315 127.800 69307.0 736 134.800 19802.0 210 143.200 94059.5 999 153.100 29703.0 315 162.700 14851.5 158 179.300 29703.0 315 //