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MassBank Record: KO000827

L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000827
RECORD_TITLE: L-Glutathione (reduced form); 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 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 40 V

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

PK$SPLASH: splash10-004m-5900000000-e05be36ebc9fc7bdaf05
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.300 24752.5 94
  59.100 79208.0 302
  73.700 108911.0 415
  80.800 14851.5 57
  86.200 44554.5 170
  87.400 29703.0 113
  97.800 44554.5 170
  99.200 89109.0 339
  100.100 39604.0 151
  110.000 59406.0 226
  127.900 262376.5 999
  128.600 34653.5 132
  141.100 24752.5 94
  143.100 173267.5 660
  146.100 39604.0 151
  153.000 24752.5 94
  179.600 24752.5 94
//

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