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MassBank Record: KO000826

L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000826
RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-002f-2900000000-bd9ba27b48b1322b7618
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  59.300 103960.5 221
  61.900 14851.5 32
  74.100 64356.5 137
  85.800 39604.0 84
  95.400 24752.5 53
  97.400 39604.0 84
  98.700 108911.0 231
  102.900 34653.5 74
  109.800 39604.0 84
  112.200 19802.0 42
  126.900 29703.0 63
  128.000 470297.5 999
  129.500 34653.5 74
  134.800 29703.0 63
  140.600 99010.0 210
  141.800 54455.5 116
  143.100 405941.0 862
  143.400 113861.5 242
  145.000 59406.0 126
  146.400 54455.5 116
  154.500 24752.5 53
  159.600 19802.0 42
  167.100 49505.0 105
  167.300 29703.0 63
  170.600 19802.0 42
  176.300 24752.5 53
  179.100 99010.0 210
  181.000 29703.0 63
  192.100 14851.5 32
  210.300 59406.0 126
  253.900 14851.5 32
  272.200 24752.5 53
  306.800 99010.0 210
//

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