ACCESSION: MSBNK-RIKEN-PR010035
RECORD_TITLE: L-Methionine; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: L-Methionine
CH$NAME: L-2-Amino-4methylthiobutyric acid
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$LINK: CHEBI 16643
CH$LINK: CHEMPDB MET
CH$LINK: KEGG C00073
CH$LINK: NIKKAJI J9.174J
CH$LINK: PUBCHEM 3373
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1513.9
AC$CHROMATOGRAPHY: RETENTION_TIME 375.28 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C11H27NO2SSi2
MS$FOCUSED_ION: DERIVATIVE_MASS 293.1301
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00b9-7910000000-5a1558fbb2f5e86edc9b
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
  60 28 28
  61 450 450
  62 16 16
  63 21 21
  65 1 1
  66 9 9
  67 2 2
  69 1 1
  70 18 18
  71 10 10
  72 30 30
  73 999 999
  74 111 111
  75 147 147
  76 14 14
  77 35 35
  78 3 3
  79 6 6
  80 1 1
  82 5 5
  83 7 7
  84 11 11
  85 11 11
  86 22 22
  87 12 12
  88 8 8
  89 5 5
  90 2 2
  91 8 8
  92 2 2
  93 2 2
  95 1 1
  96 3 3
  97 2 2
  98 16 16
  99 4 4
  100 105 105
  101 24 24
  102 22 22
  103 29 29
  104 18 18
  105 30 30
  106 4 4
  107 4 4
  110 1 1
  112 10 10
  113 4 4
  114 46 46
  115 15 15
  116 10 10
  117 15 15
  118 5 5
  119 6 6
  120 1 1
  121 1 1
  126 3 3
  127 2 2
  128 665 665
  129 90 90
  130 48 48
  131 28 28
  132 21 21
  133 30 30
  134 6 6
  135 2 2
  140 2 2
  141 2 2
  142 3 3
  143 1 1
  144 9 9
  145 2 2
  146 6 6
  147 155 155
  148 26 26
  149 14 14
  150 2 2
  151 2 2
  154 1 1
  155 1 1
  156 3 3
  157 4 4
  158 4 4
  159 3 3
  160 25 25
  161 4 4
  162 3 3
  163 3 3
  164 1 1
  172 3 3
  173 3 3
  174 8 8
  175 2 2
  176 832 832
  177 116 116
  178 64 64
  179 7 7
  180 1 1
  186 1 1
  188 25 25
  189 3 3
  190 2 2
  202 36 36
  203 17 17
  204 5 5
  205 2 2
  216 1 1
  218 32 32
  219 65 65
  220 14 14
  221 7 7
  230 4 4
  231 1 1
  232 13 13
  233 2 2
  234 1 1
  250 35 35
  251 8 8
  252 5 5
  263 3 3
  278 3 3
  293 40 40
  294 9 9
  295 5 5
  296 1 1
//