MassBank Record: KZ000162



 L-Tryptophan; GC-EI-TOF; MS; 3 TMS; BP:202 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000162
RECORD_TITLE: L-Tryptophan; GC-EI-TOF; MS; 3 TMS; BP:202
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, 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 //

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