ACCESSION: MSBNK-Osaka_Univ-OUF00315
RECORD_TITLE: L-(+)-Lysine; GC-EI-TOF; MS; n TMS; RT:737.193 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$NAME: L-Lysine
CH$NAME: L-(+)-Lysine
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄N₂O₂
CH$EXACT_MASS: 146.10553
CH$SMILES: NCCCC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
CH$LINK: CAS 56-87-1
CH$LINK: CHEBI 18019
CH$LINK: CHEMSPIDER 5747
CH$LINK: KEGG C00047 D02304
CH$LINK: PUBCHEM CID:5962
CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N
CH$LINK: COMPTOX DTXSID6023232

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$CHROMATOGRAPHY: RETENTION_INDEX 1911.787
AC$CHROMATOGRAPHY: RETENTION_TIME 737.193 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0ab9-1910000000-87ef8534f592041f50f2
PK$NUM_PEAK: 194
PK$PEAK: m/z int. rel.int.
  85 34 34
  86 322 322
  87 44 44
  88 153 153
  89 19 19
  90 11 11
  91 1 1
  92 4 4
  93 3 3
  94 13 13
  95 4 4
  96 5 5
  97 9 9
  98 31 31
  99 23 23
  100 322 322
  101 51 51
  102 97 97
  103 42 42
  104 9 9
  105 4 4
  108 2 2
  109 2 2
  110 9 9
  111 6 6
  112 77 77
  113 24 24
  114 89 89
  115 117 117
  116 45 45
  117 57 57
  118 14 14
  119 13 13
  120 2 2
  121 1 1
  123 2 2
  124 9 9
  125 3 3
  126 34 34
  127 11 11
  128 352 352
  129 60 60
  130 134 134
  131 80 80
  132 56 56
  133 76 76
  134 15 15
  135 6 6
  136 1 1
  138 8 8
  139 5 5
  140 67 67
  141 16 16
  142 48 48
  143 13 13
  144 16 16
  145 7 7
  146 78 78
  147 244 244
  148 48 48
  149 25 25
  150 6 6
  151 16 16
  152 5 5
  153 2 2
  154 73 73
  155 39 39
  156 999 999
  157 155 155
  158 68 68
  159 13 13
  160 26 26
  161 8 8
  162 6 6
  163 1 1
  164 4 4
  165 1 1
  166 15 15
  167 10 10
  168 14 14
  169 5 5
  170 13 13
  171 5 5
  172 40 40
  173 11 11
  174 848 848
  175 160 160
  176 76 76
  177 11 11
  178 2 2
  181 1 1
  182 4 4
  183 2 2
  184 10 10
  185 5 5
  186 33 33
  187 10 10
  188 13 13
  189 9 9
  190 5 5
  191 19 19
  192 3 3
  193 1 1
  196 1 1
  198 4 4
  199 3 3
  200 87 87
  201 20 20
  202 31 31
  203 9 9
  204 7 7
  205 2 2
  206 1 1
  207 1 1
  212 8 8
  213 10 10
  214 31 31
  215 14 14
  216 17 17
  217 10 10
  218 36 36
  219 16 16
  220 12 12
  221 5 5
  222 3 3
  223 1 1
  224 1 1
  225 1 1
  226 2 2
  227 5 5
  228 58 58
  229 19 19
  230 182 182
  231 41 41
  232 21 21
  233 4 4
  234 1 1
  235 1 1
  236 1 1
  239 3 3
  240 7 7
  241 3 3
  242 3 3
  243 4 4
  244 6 6
  245 2 2
  246 3 3
  247 1 1
  248 2 2
  249 1 1
  250 1 1
  252 1 1
  253 1 1
  254 2 2
  255 6 6
  256 4 4
  257 3 3
  258 7 7
  259 2 2
  260 4 4
  261 1 1
  262 1 1
  263 1 1
  271 1 1
  272 10 10
  273 12 12
  274 6 6
  275 2 2
  301 1 1
  302 2 2
  304 1 1
  305 1 1
  316 5 5
  317 190 190
  318 70 70
  319 31 31
  320 8 8
  321 1 1
  329 19 19
  330 9 9
  331 3 3
  332 1 1
  362 1 1
  391 3 3
  392 2 2
  393 1 1
  419 5 5
  420 2 2
  421 1 1
  433 2 2
  434 17 17
  435 10 10
  436 5 5
  437 1 1
//