ACCESSION: MSBNK-Kazusa-KZ000162
RECORD_TITLE: L-Tryptophan; GC-EI-TOF; MS; 3 TMS; BP:202
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_05070_P000042

CH$NAME: L-Tryptophan
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.08988
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
CH$LINK: CAS 73-22-3
CH$LINK: KEGG C00078
CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID5021419

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 0.0000
AC$CHROMATOGRAPHY: RETENTION_TIME 1070.48 sec

MS$FOCUSED_ION: BASE_PEAK 202
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0udi-0390000000-45a6c4fd79081597d44a
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  83 1 1
  84 10 10
  85 3 3
  86 10 10
  87 3 3
  88 2 2
  89 4 4
  90 2 2
  91 1 1
  92 1 1
  98 1 1
  99 1 1
  100 68 68
  101 31 31
  102 21 21
  103 13 13
  104 2 2
  105 5 5
  106 1 1
  112 1 1
  113 1 1
  114 2 2
  115 11 11
  116 4 4
  117 8 8
  118 3 3
  119 5 5
  120 1 1
  121 1 1
  128 6 6
  129 24 24
  130 43 43
  131 18 18
  132 24 24
  133 13 13
  134 5 5
  135 1 1
  136 1 1
  140 1 1
  141 1 1
  142 3 3
  143 4 4
  144 6 6
  145 15 15
  146 7 7
  147 52 52
  148 10 10
  149 4 4
  150 1 1
  152 1 1
  154 1 1
  155 1 1
  156 7 7
  157 3 3
  158 5 5
  159 6 6
  160 9 9
  161 2 2
  162 1 1
  163 2 2
  168 1 1
  169 3 3
  170 8 8
  171 3 3
  172 8 8
  173 2 2
  174 6 6
  175 2 2
  176 1 1
  182 1 1
  183 1 1
  184 7 7
  185 4 4
  186 13 13
  187 6 6
  188 11 11
  189 3 3
  190 13 13
  191 3 3
  192 1 1
  198 2 2
  199 7 7
  200 32 32
  201 12 12
  202 999 999
  203 208 208
  204 63 63
  205 9 9
  206 2 2
  213 1 1
  214 3 3
  215 4 4
  216 3 3
  217 1 1
  218 44 44
  219 9 9
  220 4 4
  221 1 1
  228 1 1
  229 2 2
  230 9 9
  231 2 2
  232 1 1
  241 1 1
  242 1 1
  246 1 1
  248 2 2
  276 1 1
  288 1 1
  290 6 6
  291 68 68
  292 21 21
  293 10 10
  294 2 2
  301 1 1
  302 4 4
  303 7 7
  304 2 2
  305 1 1
  306 1 1
  377 3 3
  378 2 2
  379 1 1
  404 1 1
  405 3 3
  406 2 2
//