MassBank Record: KO001291



 S-Lactoylglutathione; 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: KO001291
RECORD_TITLE: S-Lactoylglutathione; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 378 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-05dj-0769000000-125dd04c3309557ca71d PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 116.900 69307.0 378 127.300 29703.0 162 131.600 54455.5 297 140.600 19802.0 108 145.700 19802.0 108 159.800 54455.5 297 185.300 34653.5 189 198.800 54455.5 297 208.900 9901.0 54 214.900 44554.5 243 221.800 19802.0 108 245.500 14851.5 81 249.200 54455.5 297 253.900 34653.5 189 272.500 94059.5 513 296.600 19802.0 108 306.100 118812.0 648 317.900 44554.5 243 344.200 79208.0 432 378.300 183168.5 999 //