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MassBank Record: KO000828

L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO000828
RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-0a4i-9200000000-aecd0eb18a10c3ffb7ab
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.800 14851.5 94
  59.300 158416.0 999
  60.100 44554.5 281
  73.900 54455.5 343
  82.400 34653.5 219
  83.900 14851.5 94
  86.100 34653.5 219
  95.400 19802.0 125
  99.100 29703.0 187
  102.200 39604.0 250
  109.200 29703.0 187
  127.800 64356.5 406
//

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