ACCESSION: MSBNK-Kazusa-KZ000055
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_01583_P000150

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 2406.8
AC$CHROMATOGRAPHY: RETENTION_TIME 1073.36 sec

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

PK$SPLASH: splash10-0udi-0190000000-feaec8547634dddcad8c
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  86 3 3
  87 1 1
  100 40 40
  101 19 19
  102 2 2
  105 2 2
  115 4 4
  117 1 1
  118 1 1
  119 2 2
  120 1 1
  130 19 19
  131 9 9
  132 15 15
  133 9 9
  134 4 4
  135 1 1
  142 1 1
  143 1 1
  144 4 4
  145 9 9
  146 4 4
  147 17 17
  148 6 6
  149 3 3
  156 3 3
  157 1 1
  158 2 2
  159 3 3
  160 4 4
  161 2 2
  163 1 1
  169 1 1
  170 3 3
  171 2 2
  172 3 3
  173 1 1
  184 2 2
  185 2 2
  186 6 6
  187 3 3
  188 2 2
  190 5 5
  191 1 1
  198 1 1
  199 4 4
  200 25 25
  201 11 11
  202 999 999
  203 265 265
  204 84 84
  205 14 14
  206 2 2
  214 2 2
  215 1 1
  216 1 1
  218 43 43
  219 12 12
  220 6 6
  221 1 1
  230 7 7
  231 2 2
  232 1 1
  246 1 1
  248 1 1
  249 1 1
  288 1 1
  290 1 1
  291 63 63
  292 30 30
  293 18 18
  294 4 4
  295 1 1
  302 1 1
  303 7 7
  304 2 2
  305 1 1
  377 2 2
  378 2 2
  379 1 1
  405 3 3
  406 1 1
  407 1 1
//