ACCESSION: MSBNK-Osaka_Univ-OUF00317
RECORD_TITLE: L-Methionine; GC-EI-TOF; MS; n TMS; RT:560.194 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

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: CHEBI 16643
CH$LINK: CHEMSPIDER 5907
CH$LINK: KEGG C00073 D00019
CH$LINK: PUBCHEM CID:6137
CH$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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1515.197
AC$CHROMATOGRAPHY: RETENTION_TIME 560.194 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-004i-0910000000-b837ee0f4413856560f1
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  85 23 23
  86 42 42
  87 26 26
  88 20 20
  89 13 13
  90 6 6
  91 20 20
  92 4 4
  93 5 5
  94 1 1
  95 2 2
  96 6 6
  97 4 4
  98 31 31
  99 9 9
  100 178 178
  101 38 38
  102 42 42
  103 52 52
  104 62 62
  105 62 62
  106 11 11
  107 11 11
  108 1 1
  110 3 3
  112 22 22
  113 9 9
  114 77 77
  115 29 29
  116 27 27
  117 32 32
  118 11 11
  119 14 14
  120 3 3
  121 2 2
  123 1 1
  126 7 7
  127 4 4
  128 923 923
  129 131 131
  130 82 82
  131 57 57
  132 45 45
  133 59 59
  134 14 14
  135 6 6
  136 1 1
  140 5 5
  141 4 4
  142 5 5
  143 4 4
  144 22 22
  145 5 5
  146 12 12
  147 256 256
  148 46 46
  149 27 27
  150 3 3
  151 5 5
  152 1 1
  153 1 1
  154 1 1
  155 1 1
  156 6 6
  157 11 11
  158 11 11
  159 7 7
  160 46 46
  161 10 10
  162 4 4
  163 3 3
  164 2 2
  172 8 8
  173 8 8
  174 16 16
  175 5 5
  176 999 999
  177 152 152
  178 95 95
  179 12 12
  180 3 3
  186 1 1
  188 42 42
  189 8 8
  190 5 5
  202 54 54
  203 27 27
  204 8 8
  205 3 3
  216 2 2
  218 45 45
  219 89 89
  220 22 22
  221 15 15
  222 2 2
  230 7 7
  231 2 2
  232 20 20
  233 4 4
  234 1 1
  245 1 1
  250 49 49
  251 13 13
  252 7 7
  253 2 2
  255 1 1
  263 5 5
  264 2 2
  265 1 1
  267 1 1
  278 5 5
  293 48 48
  294 13 13
  295 7 7
  296 1 1
  297 1 1
  348 1 1
  460 1 1
//