ACCESSION: MSBNK-Kazusa-KZ000050
RECORD_TITLE: L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:128
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_01571_P000123

CH$NAME: L-Methionine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₁NO₂S
CH$EXACT_MASS: 149.05105
CH$SMILES: N[C@@H](CCSC)C(O)=O
CH$IUPAC: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
CH$LINK: CAS 63-68-3
CH$LINK: KEGG C00073
CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N
CH$LINK: COMPTOX DTXSID5040548

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 1614.1
AC$CHROMATOGRAPHY: RETENTION_TIME 754.012 sec

MS$FOCUSED_ION: BASE_PEAK 128
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-004i-0920000000-945c85aa7c9f5eb2dfbb
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  82 9 9
  83 10 10
  84 22 22
  85 23 23
  86 45 45
  87 22 22
  88 13 13
  89 7 7
  90 4 4
  91 16 16
  92 2 2
  93 2 2
  94 1 1
  95 1 1
  96 5 5
  97 4 4
  98 31 31
  99 10 10
  100 216 216
  101 53 53
  102 45 45
  103 56 56
  104 15 15
  105 49 49
  106 6 6
  107 7 7
  108 1 1
  110 3 3
  111 1 1
  112 18 18
  113 7 7
  114 86 86
  115 29 29
  116 15 15
  117 22 22
  118 7 7
  119 10 10
  120 2 2
  121 2 2
  126 5 5
  127 3 3
  128 999 999
  129 171 171
  130 82 82
  131 36 36
  132 27 27
  133 45 45
  134 10 10
  135 5 5
  140 3 3
  141 4 4
  142 5 5
  143 3 3
  144 21 21
  145 5 5
  146 14 14
  147 378 378
  148 65 65
  149 32 32
  150 5 5
  151 4 4
  152 1 1
  153 1 1
  154 2 2
  155 2 2
  156 5 5
  157 8 8
  158 9 9
  159 6 6
  160 48 48
  161 9 9
  162 6 6
  163 4 4
  164 2 2
  165 1 1
  172 2 2
  173 2 2
  174 6 6
  175 3 3
  176 748 748
  177 154 154
  178 102 102
  179 13 13
  180 3 3
  186 1 1
  188 51 51
  189 9 9
  190 6 6
  191 1 1
  200 1 1
  202 60 60
  203 37 37
  204 13 13
  205 5 5
  206 1 1
  214 1 1
  216 2 2
  217 1 1
  218 91 91
  219 179 179
  220 45 45
  221 19 19
  222 3 3
  223 1 1
  230 12 12
  231 4 4
  232 32 32
  233 7 7
  234 3 3
  235 1 1
  244 1 1
  245 2 2
  246 2 2
  250 111 111
  251 37 37
  252 19 19
  253 4 4
  254 1 1
  263 11 11
  264 3 3
  265 2 2
  278 8 8
  279 2 2
  280 1 1
  293 119 119
  294 32 32
  295 19 19
  296 3 3
//