ACCESSION: MSBNK-Kazusa-KZ000225
RECORD_TITLE: L-Glutathione (reduced form); GC-EI-TOF; MS; x TMS; BP:156
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01506_P000048

CH$NAME: L-Glutathione
CH$NAME: L-Glutathione (reduced form)
CH$COMPOUND_CLASS: Natural Product
CH$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$LINK: KEGG C00051
CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N
CH$LINK: COMPTOX DTXSID6023101

AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1696.6
AC$CHROMATOGRAPHY: RETENTION_TIME 789.613 sec

MS$FOCUSED_ION: BASE_PEAK 156
MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0a4i-0900000000-5841845f736f9a667622
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  82 8 8
  83 9 9
  84 39 39
  85 25 25
  86 29 29
  87 9 9
  88 3 3
  89 3 3
  92 1 1
  93 1 1
  94 3 3
  95 2 2
  96 3 3
  97 4 4
  98 8 8
  99 10 10
  100 20 20
  101 6 6
  102 6 6
  103 8 8
  104 1 1
  105 4 4
  106 1 1
  107 1 1
  108 2 2
  110 7 7
  111 3 3
  112 31 31
  113 10 10
  114 15 15
  115 9 9
  116 3 3
  117 12 12
  118 2 2
  119 3 3
  121 1 1
  122 3 3
  124 1 1
  125 1 1
  126 4 4
  127 3 3
  128 3 3
  129 5 5
  130 1 1
  131 20 20
  132 5 5
  133 37 37
  134 6 6
  135 3 3
  139 2 2
  140 30 30
  141 10 10
  142 8 8
  143 2 2
  144 1 1
  147 194 194
  148 32 32
  149 18 18
  150 2 2
  153 1 1
  154 9 9
  155 6 6
  156 999 999
  157 138 138
  158 49 49
  159 4 4
  160 1 1
  161 1 1
  168 2 2
  170 2 2
  172 2 2
  174 2 2
  183 1 1
  186 1 1
  190 1 1
  214 9 9
  215 2 2
  216 1 1
  228 2 2
  229 1 1
  230 59 59
  231 13 13
  232 5 5
  233 1 1
  257 1 1
  258 45 45
  259 9 9
  260 4 4
  273 1 1
//