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MassBank Record: KO000825

L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000825
RECORD_TITLE: L-Glutathione (reduced form); 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 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 20 V

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

PK$SPLASH: splash10-0006-0952000000-4a2a42699cf4aab2c559
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  59.000 69307.0 141
  86.300 29703.0 61
  128.000 331683.5 676
  128.900 29703.0 61
  138.100 14851.5 30
  141.300 237624.0 484
  142.100 252475.5 515
  143.000 490099.5 999
  146.000 44554.5 91
  154.400 29703.0 61
  159.900 19802.0 40
  166.700 24752.5 50
  170.900 34653.5 71
  177.300 34653.5 71
  179.200 153465.5 313
  179.500 59406.0 121
  185.400 34653.5 71
  197.800 19802.0 40
  202.900 19802.0 40
  210.200 89109.0 182
  212.500 34653.5 71
  224.600 39604.0 81
  254.300 212871.5 434
  255.300 54455.5 111
  272.400 396040.0 807
  272.900 79208.0 161
  273.700 89109.0 182
  286.100 14851.5 30
  304.600 89109.0 182
  306.600 430693.5 878
  307.800 19802.0 40
  338.200 19802.0 40
  339.300 34653.5 71
//

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