ACCESSION: MSBNK-Keio_Univ-KO000824
RECORD_TITLE: L-Glutathione (reduced form); 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 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
CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N
CH$LINK: COMPTOX DTXSID6023101

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$FOCUSED_ION: PRECURSOR_M/Z 306
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-0009000000-9b01fba547d1fcde113a
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  128.100 19802.0 5
  141.200 237624.0 55
  141.800 153465.5 35
  145.700 14851.5 3
  224.600 54455.5 13
  252.500 19802.0 5
  270.400 24752.5 6
  272.000 89109.0 21
  272.800 54455.5 13
  273.800 29703.0 7
  288.000 34653.5 8
  306.300 4341588.5 999
  308.300 24752.5 6
  340.000 44554.5 10
//